USER MOD reduce.3.24.130724 H: found=0, std=0, add=2556, rem=0, adj=61 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER PROTEIN TRANSPORT 30-MAR-14 4PZG TITLE CRYSTAL STRUCTURE OF HUMAN SORTING NEXIN 10 (SNX10) COMPND MOL_ID: 1; COMPND 2 MOLECULE: SORTING NEXIN-10; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: SNX10; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS SORTING NEXIN, PROTEIN TRANSPORT, PHOX-HOMOLOGY DOMAIN EXPDTA X-RAY DIFFRACTION AUTHOR T.XU,J.XU,Q.WANG,J.LIU REVDAT 2 03-DEC-14 4PZG 1 JRNL REVDAT 1 24-SEP-14 4PZG 0 JRNL AUTH T.XU,J.XU,Y.YE,Q.WANG,X.SHU,D.PEI,J.LIU JRNL TITL STRUCTURE OF HUMAN SNX10 REVEALS INSIGHTS INTO ITS ROLE IN JRNL TITL 2 HUMAN AUTOSOMAL RECESSIVE OSTEOPETROSIS. JRNL REF PROTEINS V. 82 3483 2014 JRNL REFN ISSN 0887-3585 JRNL PMID 25212774 JRNL DOI 10.1002/PROT.24689 REMARK 2 REMARK 2 RESOLUTION. 2.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.7.0029 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 49.45 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 3 NUMBER OF REFLECTIONS : 25133 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) : 0.197 REMARK 3 R VALUE (WORKING SET) : 0.194 REMARK 3 FREE R VALUE : 0.237 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1277 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) : 2.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.87 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1612 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 92.50 REMARK 3 BIN R VALUE (WORKING SET) : 0.3400 REMARK 3 BIN FREE R VALUE SET COUNT : 102 REMARK 3 BIN FREE R VALUE : 0.3700 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2558 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 87 REMARK 3 SOLVENT ATOMS : 15 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 42.05 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 1.14000 REMARK 3 B22 (A**2) : 1.14000 REMARK 3 B33 (A**2) : -3.69000 REMARK 3 B12 (A**2) : 1.14000 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): 0.250 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.227 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.164 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 8.622 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.929 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.894 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2687 ; 0.019 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 2531 ; 0.006 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3592 ; 1.970 ; 1.950 REMARK 3 BOND ANGLES OTHERS (DEGREES): 5778 ; 1.255 ; 3.001 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 300 ; 7.387 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 150 ;37.470 ;23.200 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 480 ;19.942 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 28 ;21.886 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 374 ; 0.102 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3008 ; 0.010 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 696 ; 0.005 ; 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): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL 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 NCS TYPE: LOCAL REMARK 3 NUMBER OF DIFFERENT NCS PAIRS : 1 REMARK 3 GROUP CHAIN1 RANGE CHAIN2 RANGE COUNT RMS WEIGHT REMARK 3 1 A 8 156 B 8 156 8806 0.150 0.050 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS U VALUES: REFINED INDIVIDUALLY REMARK 4 REMARK 4 4PZG COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-APR-14. REMARK 100 THE RCSB ID CODE IS RCSB085412. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 13-MAR-14 REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRF REMARK 200 BEAMLINE : BL17U REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9792 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : AIMLESS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 25144 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.800 REMARK 200 RESOLUTION RANGE LOW (A) : 49.450 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 200 DATA REDUNDANCY : 6.500 REMARK 200 R MERGE (I) : 0.13600 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 10.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.95 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.6 REMARK 200 DATA REDUNDANCY IN SHELL : 3.80 REMARK 200 R MERGE FOR SHELL (I) : 0.67400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.200 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): NULL REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 4 M SODIUM NITRATE, 0.1 M BIS-TRIS REMARK 280 PROPANE PH 7.0, VAPOR DIFFUSION, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 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+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+1/3 REMARK 290 6555 -X,-X+Y,-Z+2/3 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 28.22000 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 14.11000 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 14.11000 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 28.22000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4370 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 17930 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 O2 NO3 A 305 LIES ON A SPECIAL POSITION. REMARK 375 O2 NO3 A 302 LIES ON A SPECIAL POSITION. REMARK 375 N NO3 A 302 LIES ON A SPECIAL POSITION. REMARK 375 N NO3 A 305 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 PHE A 2 REMARK 465 PRO A 3 REMARK 465 GLU A 4 REMARK 465 GLN A 5 REMARK 465 GLN A 6 REMARK 465 LYS A 7 REMARK 465 ASP A 160 REMARK 465 GLU A 161 REMARK 465 GLU A 162 REMARK 465 GLY A 163 REMARK 465 LYS A 164 REMARK 465 LYS A 165 REMARK 465 GLU A 166 REMARK 465 ASN A 167 REMARK 465 ASP A 168 REMARK 465 ILE A 169 REMARK 465 ASP A 170 REMARK 465 TYR A 171 REMARK 465 ASP A 172 REMARK 465 SER A 173 REMARK 465 GLU A 174 REMARK 465 SER A 175 REMARK 465 SER A 176 REMARK 465 SER A 177 REMARK 465 SER A 178 REMARK 465 GLY A 179 REMARK 465 LEU A 180 REMARK 465 GLY A 181 REMARK 465 HIS A 182 REMARK 465 SER A 183 REMARK 465 SER A 184 REMARK 465 ASP A 185 REMARK 465 ASP A 186 REMARK 465 SER A 187 REMARK 465 SER A 188 REMARK 465 SER A 189 REMARK 465 HIS A 190 REMARK 465 GLY A 191 REMARK 465 CYS A 192 REMARK 465 LYS A 193 REMARK 465 VAL A 194 REMARK 465 ASN A 195 REMARK 465 THR A 196 REMARK 465 ALA A 197 REMARK 465 PRO A 198 REMARK 465 GLN A 199 REMARK 465 GLU A 200 REMARK 465 SER A 201 REMARK 465 LEU A 202 REMARK 465 GLU A 203 REMARK 465 HIS A 204 REMARK 465 HIS A 205 REMARK 465 HIS A 206 REMARK 465 HIS A 207 REMARK 465 HIS A 208 REMARK 465 HIS A 209 REMARK 465 MET B 1 REMARK 465 PHE B 2 REMARK 465 PRO B 3 REMARK 465 GLU B 4 REMARK 465 GLN B 5 REMARK 465 GLN B 6 REMARK 465 LYS B 7 REMARK 465 GLU B 158 REMARK 465 GLU B 159 REMARK 465 ASP B 160 REMARK 465 GLU B 161 REMARK 465 GLU B 162 REMARK 465 GLY B 163 REMARK 465 LYS B 164 REMARK 465 LYS B 165 REMARK 465 GLU B 166 REMARK 465 ASN B 167 REMARK 465 ASP B 168 REMARK 465 ILE B 169 REMARK 465 ASP B 170 REMARK 465 TYR B 171 REMARK 465 ASP B 172 REMARK 465 SER B 173 REMARK 465 GLU B 174 REMARK 465 SER B 175 REMARK 465 SER B 176 REMARK 465 SER B 177 REMARK 465 SER B 178 REMARK 465 GLY B 179 REMARK 465 LEU B 180 REMARK 465 GLY B 181 REMARK 465 HIS B 182 REMARK 465 SER B 183 REMARK 465 SER B 184 REMARK 465 ASP B 185 REMARK 465 ASP B 186 REMARK 465 SER B 187 REMARK 465 SER B 188 REMARK 465 SER B 189 REMARK 465 HIS B 190 REMARK 465 GLY B 191 REMARK 465 CYS B 192 REMARK 465 LYS B 193 REMARK 465 VAL B 194 REMARK 465 ASN B 195 REMARK 465 THR B 196 REMARK 465 ALA B 197 REMARK 465 PRO B 198 REMARK 465 GLN B 199 REMARK 465 GLU B 200 REMARK 465 SER B 201 REMARK 465 LEU B 202 REMARK 465 GLU B 203 REMARK 465 HIS B 204 REMARK 465 HIS B 205 REMARK 465 HIS B 206 REMARK 465 HIS B 207 REMARK 465 HIS B 208 REMARK 465 HIS B 209 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 N LYS B 79 O2 NO3 B 302 2.05 REMARK 500 NH1 ARG B 53 O1 NO3 B 304 2.06 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 TRP A 59 CB TRP A 59 CG -0.125 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 52 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES REMARK 500 LEU A 69 CA - CB - CG ANGL. DEV. = 15.1 DEGREES REMARK 500 ARG A 103 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG B 94 NE - CZ - NH1 ANGL. DEV. = 5.8 DEGREES REMARK 500 ARG B 94 NE - CZ - NH2 ANGL. DEV. = -4.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 HIS A 27 23.55 90.85 REMARK 500 PRO A 77 -177.30 -69.06 REMARK 500 MET A 85 -9.34 -59.82 REMARK 500 GLU A 158 -91.77 90.02 REMARK 500 ASP B 24 -41.67 -18.17 REMARK 500 PHE B 25 -137.71 -86.97 REMARK 500 TRP B 26 32.50 -92.50 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ASP B 24 PHE B 25 -147.50 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 GLU A 158 24.8 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 PE5 A 306 REMARK 610 PE5 A 307 REMARK 610 PE5 A 308 REMARK 610 PE5 A 309 REMARK 610 PE5 A 310 REMARK 610 PE5 B 307 REMARK 610 PE5 B 308 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 A 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 A 303 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 A 304 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 A 305 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PE5 A 306 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PE5 A 307 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PE5 A 308 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PE5 A 309 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PE5 A 310 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 B 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 B 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 B 303 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 B 304 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 B 305 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 B 306 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PE5 B 307 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PE5 B 308 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4ON3 RELATED DB: PDB DBREF 4PZG A 1 201 UNP Q9Y5X0 SNX10_HUMAN 1 201 DBREF 4PZG B 1 201 UNP Q9Y5X0 SNX10_HUMAN 1 201 SEQADV 4PZG LEU A 202 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG GLU A 203 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG HIS A 204 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG HIS A 205 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG HIS A 206 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG HIS A 207 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG HIS A 208 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG HIS A 209 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG LEU B 202 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG GLU B 203 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG HIS B 204 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG HIS B 205 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG HIS B 206 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG HIS B 207 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG HIS B 208 UNP Q9Y5X0 EXPRESSION TAG SEQADV 4PZG HIS B 209 UNP Q9Y5X0 EXPRESSION TAG SEQRES 1 A 209 MET PHE PRO GLU GLN GLN LYS GLU GLU PHE VAL SER VAL SEQRES 2 A 209 TRP VAL ARG ASP PRO ARG ILE GLN LYS GLU ASP PHE TRP SEQRES 3 A 209 HIS SER TYR ILE ASP TYR GLU ILE CYS ILE HIS THR ASN SEQRES 4 A 209 SER MET CYS PHE THR MET LYS THR SER CYS VAL ARG ARG SEQRES 5 A 209 ARG TYR ARG GLU PHE VAL TRP LEU ARG GLN ARG LEU GLN SEQRES 6 A 209 SER ASN ALA LEU LEU VAL GLN LEU PRO GLU LEU PRO SER SEQRES 7 A 209 LYS ASN LEU PHE PHE ASN MET ASN ASN ARG GLN HIS VAL SEQRES 8 A 209 ASP GLN ARG ARG GLN GLY LEU GLU ASP PHE LEU ARG LYS SEQRES 9 A 209 VAL LEU GLN ASN ALA LEU LEU LEU SER ASP SER SER LEU SEQRES 10 A 209 HIS LEU PHE LEU GLN SER HIS LEU ASN SER GLU ASP ILE SEQRES 11 A 209 GLU ALA CYS VAL SER GLY GLN THR LYS TYR SER VAL GLU SEQRES 12 A 209 GLU ALA ILE HIS LYS PHE ALA LEU MET ASN ARG ARG PHE SEQRES 13 A 209 PRO GLU GLU ASP GLU GLU GLY LYS LYS GLU ASN ASP ILE SEQRES 14 A 209 ASP TYR ASP SER GLU SER SER SER SER GLY LEU GLY HIS SEQRES 15 A 209 SER SER ASP ASP SER SER SER HIS GLY CYS LYS VAL ASN SEQRES 16 A 209 THR ALA PRO GLN GLU SER LEU GLU HIS HIS HIS HIS HIS SEQRES 17 A 209 HIS SEQRES 1 B 209 MET PHE PRO GLU GLN GLN LYS GLU GLU PHE VAL SER VAL SEQRES 2 B 209 TRP VAL ARG ASP PRO ARG ILE GLN LYS GLU ASP PHE TRP SEQRES 3 B 209 HIS SER TYR ILE ASP TYR GLU ILE CYS ILE HIS THR ASN SEQRES 4 B 209 SER MET CYS PHE THR MET LYS THR SER CYS VAL ARG ARG SEQRES 5 B 209 ARG TYR ARG GLU PHE VAL TRP LEU ARG GLN ARG LEU GLN SEQRES 6 B 209 SER ASN ALA LEU LEU VAL GLN LEU PRO GLU LEU PRO SER SEQRES 7 B 209 LYS ASN LEU PHE PHE ASN MET ASN ASN ARG GLN HIS VAL SEQRES 8 B 209 ASP GLN ARG ARG GLN GLY LEU GLU ASP PHE LEU ARG LYS SEQRES 9 B 209 VAL LEU GLN ASN ALA LEU LEU LEU SER ASP SER SER LEU SEQRES 10 B 209 HIS LEU PHE LEU GLN SER HIS LEU ASN SER GLU ASP ILE SEQRES 11 B 209 GLU ALA CYS VAL SER GLY GLN THR LYS TYR SER VAL GLU SEQRES 12 B 209 GLU ALA ILE HIS LYS PHE ALA LEU MET ASN ARG ARG PHE SEQRES 13 B 209 PRO GLU GLU ASP GLU GLU GLY LYS LYS GLU ASN ASP ILE SEQRES 14 B 209 ASP TYR ASP SER GLU SER SER SER SER GLY LEU GLY HIS SEQRES 15 B 209 SER SER ASP ASP SER SER SER HIS GLY CYS LYS VAL ASN SEQRES 16 B 209 THR ALA PRO GLN GLU SER LEU GLU HIS HIS HIS HIS HIS SEQRES 17 B 209 HIS HET NO3 A 301 4 HET NO3 A 302 4 HET NO3 A 303 4 HET NO3 A 304 4 HET NO3 A 305 4 HET PE5 A 306 5 HET PE5 A 307 4 HET PE5 A 308 13 HET PE5 A 309 5 HET PE5 A 310 4 HET NO3 B 301 4 HET NO3 B 302 4 HET NO3 B 303 4 HET NO3 B 304 4 HET NO3 B 305 4 HET NO3 B 306 4 HET PE5 B 307 6 HET PE5 B 308 6 HETNAM NO3 NITRATE ION HETNAM PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL HETSYN PE5 2-(2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}- HETSYN 2 PE5 ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, POLYETHYLENE HETSYN 3 PE5 GLYCOL PEG400 FORMUL 3 NO3 11(N O3 1-) FORMUL 8 PE5 7(C18 H38 O9) FORMUL 21 HOH *15(H2 O) HELIX 1 1 ARG A 53 ALA A 68 1 16 HELIX 2 2 LYS A 79 PHE A 83 5 5 HELIX 3 3 ASN A 87 GLN A 107 1 21 HELIX 4 4 ASN A 108 SER A 113 1 6 HELIX 5 5 ASP A 114 SER A 123 1 10 HELIX 6 6 ASN A 126 SER A 135 1 10 HELIX 7 7 SER A 141 ARG A 154 1 14 HELIX 8 8 TYR B 54 ALA B 68 1 15 HELIX 9 9 ASN B 87 GLN B 107 1 21 HELIX 10 10 ASN B 108 SER B 113 1 6 HELIX 11 11 ASP B 114 SER B 123 1 10 HELIX 12 12 ASN B 126 SER B 135 1 10 HELIX 13 13 SER B 141 ARG B 154 1 14 SHEET 1 A 3 VAL A 11 GLN A 21 0 SHEET 2 A 3 TYR A 29 THR A 38 -1 O GLU A 33 N ARG A 16 SHEET 3 A 3 THR A 47 ARG A 52 -1 O VAL A 50 N ILE A 34 SHEET 1 B 3 VAL B 11 GLU B 23 0 SHEET 2 B 3 HIS B 27 THR B 38 -1 O TYR B 29 N GLN B 21 SHEET 3 B 3 THR B 47 ARG B 53 -1 O VAL B 50 N ILE B 34 SSBOND *** CYS A 35 CYS A 49 1555 1555 2.20 SSBOND *** CYS B 35 CYS B 49 1555 1555 2.20 SITE *** AC1 8 MET A 45 LYS A 46 THR A 47 ARG A 154 SITE *** AC1 8 MET B 45 LYS B 46 THR B 47 ARG B 154 SITE *** AC2 3 ASN A 84 ASN A 87 HIS A 90 SITE *** AC3 5 ILE A 30 ARG A 53 TYR A 54 ARG A 55 SITE *** AC3 5 ASN A 80 SITE *** AC4 5 SER A 28 LYS A 79 ASN A 80 LEU A 81 SITE *** AC4 5 PE5 A 308 SITE *** AC5 2 ARG A 61 GLN A 65 SITE *** AC6 7 THR A 47 SER A 48 CYS A 49 ASN A 153 SITE *** AC6 7 ARG A 154 ARG B 154 PHE B 156 SITE *** AC7 3 HIS A 27 ARG A 55 TRP A 59 SITE *** AC8 5 SER A 28 ASN A 80 LEU A 81 PHE A 83 SITE *** AC8 5 NO3 A 304 SITE *** AC9 4 GLU A 75 LEU A 76 SER A 78 PE5 A 310 SITE *** BC1 4 TRP A 26 ARG A 61 LEU A 76 PE5 A 309 SITE *** BC2 7 TYR B 54 ARG B 55 ASN B 80 THR B 138 SITE *** BC2 7 LYS B 139 TYR B 140 NO3 B 304 SITE *** BC3 6 TYR B 54 PRO B 77 SER B 78 LYS B 79 SITE *** BC3 6 ASN B 80 ARG B 94 SITE *** BC4 6 TYR B 29 ILE B 30 PHE B 83 MET B 85 SITE *** BC4 6 ARG B 94 NO3 B 304 SITE *** BC5 5 ARG B 53 TYR B 54 ARG B 55 NO3 B 301 SITE *** BC5 5 NO3 B 303 SITE *** BC6 6 ALA B 68 LEU B 69 LEU B 70 ASN B 86 SITE *** BC6 6 ASN B 87 ARG B 88 SITE *** BC7 4 LEU B 81 PHE B 82 HIS B 124 MET B 152 SITE *** BC8 4 ARG B 61 GLU B 75 LEU B 76 LYS B 139 SITE *** BC9 4 ASN A 39 GLU B 143 HIS B 147 LYS B 148 CRYST1 205.859 205.859 42.330 90.00 90.00 120.00 P 32 2 1 12 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 0.004858 0.002805 0.000000 0.00000 SCALE2 0.000000 0.005609 0.000000 0.00000 SCALE3 0.000000 0.000000 0.023624 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 54 TYR OH : rot -173:sc= 1.22 USER MOD Set 1.2: B 80 ASN : amide:sc= -1.29! K(o=-0.061!,f=1.8) USER MOD Set 2.1: B 48 SER OG : rot 90:sc= 0.497 USER MOD Set 2.2: B 122 GLN : amide:sc= 1.42 K(o=1.9,f=0.13) USER MOD Set 3.1: B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 46 LYS NZ :NH3+ -157:sc= 0.485 (180deg=0.266) USER MOD Set 4.1: A 147 HIS : no HE2:sc= 0.0691 K(o=0.015,f=-1) USER MOD Set 4.2: B 37 HIS : no HE2:sc= -0.0546 K(o=0.015,f=-1) USER MOD Set 5.1: A 89 GLN : amide:sc= -0.329 K(o=-0.73,f=0) USER MOD Set 5.2: A 93 GLN : amide:sc= -0.399 K(o=-0.73,f=0.0035) USER MOD Set 6.1: A 48 SER OG : rot 84:sc= -0.359 USER MOD Set 6.2: A 122 GLN : amide:sc= 0.546 K(o=0.19,f=-0.52) USER MOD Set 7.1: A 37 HIS : no HE2:sc= -0.0546 K(o=0.23,f=-2.5) USER MOD Set 7.2: B 147 HIS : no HE2:sc= 0.287 K(o=0.23,f=-2.8) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.00574 K(o=-0.0057,f=-0.56) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0785 X(o=-0.079,f=-0.26) USER MOD Single : A 28 SER OG : rot -64:sc= 0.279 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 143:sc= 0.757 USER MOD Single : A 38 THR OG1 : rot 56:sc= 1.11 USER MOD Single : A 39 ASN : amide:sc= -4.06! C(o=-4.1!,f=-14!) USER MOD Single : A 40 SER OG : rot 160:sc= 0.464 USER MOD Single : A 41 MET CE :methyl -155:sc= -0.2 (180deg=-1) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -120:sc= 0.0485 USER MOD Single : A 45 MET CE :methyl 162:sc= 0 (180deg=-0.00431) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -24:sc= -0.466 USER MOD Single : A 54 TYR OH : rot 178:sc= 1.25 USER MOD Single : A 62 GLN : amide:sc= -0.161 K(o=-0.16,f=-4.5!) USER MOD Single : A 65 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.48) USER MOD Single : A 66 SER OG : rot -44:sc= 0.746 USER MOD Single : A 67 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.36) USER MOD Single : A 72 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.018) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -2.18! C(o=-2.2!,f=-11!) USER MOD Single : A 84 ASN : amide:sc= 1.46 K(o=1.5,f=-4.9!) USER MOD Single : A 85 MET CE :methyl 150:sc=-0.00231 (180deg=-0.597) USER MOD Single : A 86 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.491 K(o=-0.49,f=-3.9!) USER MOD Single : A 90 HIS : no HD1:sc= 0.189 K(o=0.19,f=-3.3!) USER MOD Single : A 96 GLN : amide:sc= -0.077 X(o=-0.077,f=-0.077) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 108 ASN : amide:sc= -1.22! C(o=-1.2!,f=-9!) USER MOD Single : A 113 SER OG : rot -79:sc= 0.27 USER MOD Single : A 115 SER OG : rot 180:sc= 0.00629 USER MOD Single : A 116 SER OG : rot 92:sc= 0.17 USER MOD Single : A 118 HIS : no HD1:sc= 0.948 K(o=0.95,f=-3.1!) USER MOD Single : A 123 SER OG : rot -34:sc= 1.38 USER MOD Single : A 124 HIS : no HD1:sc= -2.31! K(o=-2.3!,f=0.39) USER MOD Single : A 126 ASN : amide:sc= -0.21 K(o=-0.21,f=-2.8!) USER MOD Single : A 127 SER OG : rot 180:sc= 0.00725 USER MOD Single : A 133 CYS SG : rot 112:sc= 0.207 USER MOD Single : A 135 SER OG : rot 97:sc= 0.22 USER MOD Single : A 137 GLN : amide:sc=-0.00705 K(o=-0.007,f=-0.63) USER MOD Single : A 138 THR OG1 : rot 107:sc= 0.401 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0.174 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 MET CE :methyl 169:sc= 0 (180deg=-0.103) USER MOD Single : A 153 ASN : amide:sc= -2.48 K(o=-2.5,f=-0.92) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 21 GLN : amide:sc= -0.338 K(o=-0.34,f=-1.4) USER MOD Single : B 22 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0165) USER MOD Single : B 27 HIS : no HD1:sc= -0.614 K(o=-0.61,f=-2.2) USER MOD Single : B 28 SER OG : rot 21:sc= 0.0677 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 TYR OH : rot 150:sc= 0.0245 USER MOD Single : B 38 THR OG1 : rot 67:sc= 1.28 USER MOD Single : B 39 ASN : amide:sc= -5.48! C(o=-5.5!,f=-16!) USER MOD Single : B 40 SER OG : rot 159:sc= 0.436 USER MOD Single : B 42 CYS SG : rot 180:sc= 0 USER MOD Single : B 44 THR OG1 : rot -120:sc= 0.0819 USER MOD Single : B 45 MET CE :methyl -131:sc= 0 (180deg=-0.0706) USER MOD Single : B 47 THR OG1 : rot 132:sc= 0.272 USER MOD Single : B 62 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.35) USER MOD Single : B 65 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.63) USER MOD Single : B 66 SER OG : rot -45:sc= 0.51 USER MOD Single : B 67 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.075) USER MOD Single : B 72 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 79 LYS NZ :NH3+ -126:sc= -0.0898 (180deg=-0.376) USER MOD Single : B 84 ASN : amide:sc= 0.293 K(o=0.29,f=-4.6!) USER MOD Single : B 85 MET CE :methyl 147:sc= -0.279 (180deg=-1.04) USER MOD Single : B 86 ASN : amide:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : B 87 ASN : amide:sc= -1.03! C(o=-1!,f=-7.6!) USER MOD Single : B 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 90 HIS : no HD1:sc= -0.139 K(o=-0.14,f=-3.8!) USER MOD Single : B 93 GLN : amide:sc=-0.00738 X(o=-0.0074,f=-0.0074) USER MOD Single : B 96 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.17) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 107 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 108 ASN : amide:sc= -1.76! C(o=-1.8!,f=-8.4!) USER MOD Single : B 113 SER OG : rot -5:sc= 0.323 USER MOD Single : B 115 SER OG : rot 180:sc=0.000102 USER MOD Single : B 116 SER OG : rot 93:sc= 0.0929 USER MOD Single : B 118 HIS : no HD1:sc= 2.36 K(o=2.4,f=-4.1!) USER MOD Single : B 123 SER OG : rot -65:sc= 1.33 USER MOD Single : B 124 HIS : no HD1:sc= -2.61! K(o=-2.6!,f=0.43) USER MOD Single : B 126 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.8!) USER MOD Single : B 127 SER OG : rot 180:sc=0.000179 USER MOD Single : B 133 CYS SG : rot 110:sc= 0.154 USER MOD Single : B 135 SER OG : rot 92:sc= 0.379 USER MOD Single : B 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 138 THR OG1 : rot 103:sc= 0.36 USER MOD Single : B 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 140 TYR OH : rot 30:sc= 1.21 USER MOD Single : B 141 SER OG : rot -43:sc= 0.144 USER MOD Single : B 148 LYS NZ :NH3+ -148:sc= -0.0877 (180deg=-0.747) USER MOD Single : B 152 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 153 ASN : amide:sc= -0.0748 K(o=-0.075,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 -21.367 101.700 20.082 1.00 66.94 N ATOM 2 CA GLU A 8 -22.377 100.759 20.659 1.00 71.88 C ATOM 3 C GLU A 8 -23.203 100.073 19.573 1.00 60.53 C ATOM 4 O GLU A 8 -23.592 100.731 18.634 1.00 52.42 O ATOM 5 CB GLU A 8 -23.322 101.493 21.614 1.00 80.39 C ATOM 6 CG GLU A 8 -22.594 102.111 22.837 1.00 92.50 C ATOM 7 CD GLU A 8 -22.220 101.124 23.947 1.00 92.82 C ATOM 8 OE1 GLU A 8 -22.931 100.110 24.149 1.00 81.70 O ATOM 9 OE2 GLU A 8 -21.195 101.384 24.632 1.00 86.49 O ATOM 0 HA GLU A 8 -21.881 100.082 21.145 1.00 71.88 H new ATOM 0 HB2 GLU A 8 -23.781 102.196 21.129 1.00 80.39 H new ATOM 0 HB3 GLU A 8 -24.001 100.875 21.927 1.00 80.39 H new ATOM 0 HG2 GLU A 8 -21.785 102.547 22.526 1.00 92.50 H new ATOM 0 HG3 GLU A 8 -23.160 102.801 23.216 1.00 92.50 H new ATOM 10 N GLU A 9 -23.497 98.776 19.755 1.00 54.46 N ATOM 11 CA GLU A 9 -24.026 97.885 18.696 1.00 51.58 C ATOM 12 C GLU A 9 -25.313 98.385 18.051 1.00 44.32 C ATOM 13 O GLU A 9 -26.199 98.843 18.724 1.00 38.65 O ATOM 14 CB GLU A 9 -24.185 96.443 19.193 1.00 54.24 C ATOM 15 CG GLU A 9 -22.850 95.817 19.646 1.00 65.81 C ATOM 16 CD GLU A 9 -22.665 94.334 19.242 1.00 78.54 C ATOM 17 OE1 GLU A 9 -21.486 93.908 18.984 1.00 71.63 O ATOM 18 OE2 GLU A 9 -23.695 93.586 19.196 1.00 75.37 O ATOM 0 H GLU A 9 -23.394 98.379 20.511 1.00 54.46 H new ATOM 0 HA GLU A 9 -23.354 97.897 17.996 1.00 51.58 H new ATOM 0 HB2 GLU A 9 -24.812 96.427 19.933 1.00 54.24 H new ATOM 0 HB3 GLU A 9 -24.568 95.902 18.485 1.00 54.24 H new ATOM 0 HG2 GLU A 9 -22.120 96.335 19.273 1.00 65.81 H new ATOM 0 HG3 GLU A 9 -22.784 95.888 20.611 1.00 65.81 H new ATOM 19 N PHE A 10 -25.357 98.399 16.724 1.00 41.90 N ATOM 20 CA PHE A 10 -26.574 98.785 16.021 1.00 40.76 C ATOM 21 C PHE A 10 -26.756 97.847 14.835 1.00 40.91 C ATOM 22 O PHE A 10 -25.794 97.246 14.339 1.00 42.81 O ATOM 23 CB PHE A 10 -26.547 100.257 15.549 1.00 36.77 C ATOM 24 CG PHE A 10 -25.643 100.494 14.410 1.00 37.02 C ATOM 25 CD1 PHE A 10 -24.276 100.609 14.617 1.00 38.53 C ATOM 26 CD2 PHE A 10 -26.128 100.520 13.114 1.00 39.30 C ATOM 27 CE1 PHE A 10 -23.392 100.775 13.544 1.00 43.11 C ATOM 28 CE2 PHE A 10 -25.258 100.695 12.025 1.00 44.10 C ATOM 29 CZ PHE A 10 -23.889 100.819 12.234 1.00 44.74 C ATOM 0 H PHE A 10 -24.697 98.190 16.214 1.00 41.90 H new ATOM 0 HA PHE A 10 -27.322 98.712 16.635 1.00 40.76 H new ATOM 0 HB2 PHE A 10 -27.445 100.526 15.301 1.00 36.77 H new ATOM 0 HB3 PHE A 10 -26.277 100.822 16.290 1.00 36.77 H new ATOM 0 HD1 PHE A 10 -23.941 100.575 15.484 1.00 38.53 H new ATOM 0 HD2 PHE A 10 -27.040 100.420 12.962 1.00 39.30 H new ATOM 0 HE1 PHE A 10 -22.479 100.856 13.700 1.00 43.11 H new ATOM 0 HE2 PHE A 10 -25.599 100.728 11.160 1.00 44.10 H new ATOM 0 HZ PHE A 10 -23.311 100.930 11.514 1.00 44.74 H new ATOM 30 N VAL A 11 -28.001 97.741 14.404 1.00 38.43 N ATOM 31 CA VAL A 11 -28.356 97.050 13.173 1.00 37.70 C ATOM 32 C VAL A 11 -29.474 97.803 12.433 1.00 33.93 C ATOM 33 O VAL A 11 -30.426 98.217 13.006 1.00 34.07 O ATOM 34 CB VAL A 11 -28.742 95.611 13.472 1.00 37.98 C ATOM 35 CG1 VAL A 11 -29.730 95.563 14.608 1.00 45.69 C ATOM 36 CG2 VAL A 11 -29.339 94.990 12.255 1.00 38.05 C ATOM 0 H VAL A 11 -28.675 98.072 14.823 1.00 38.43 H new ATOM 0 HA VAL A 11 -27.584 97.032 12.586 1.00 37.70 H new ATOM 0 HB VAL A 11 -27.947 95.117 13.728 1.00 37.98 H new ATOM 0 HG11 VAL A 11 -29.969 94.641 14.790 1.00 45.69 H new ATOM 0 HG12 VAL A 11 -29.332 95.956 15.400 1.00 45.69 H new ATOM 0 HG13 VAL A 11 -30.526 96.061 14.366 1.00 45.69 H new ATOM 0 HG21 VAL A 11 -29.585 94.072 12.448 1.00 38.05 H new ATOM 0 HG22 VAL A 11 -30.129 95.487 11.992 1.00 38.05 H new ATOM 0 HG23 VAL A 11 -28.692 95.006 11.533 1.00 38.05 H new ATOM 37 N SER A 12 -29.297 98.054 11.154 1.00 35.66 N ATOM 38 CA SER A 12 -30.262 98.850 10.373 1.00 32.80 C ATOM 39 C SER A 12 -30.583 98.120 9.104 1.00 29.75 C ATOM 40 O SER A 12 -29.719 97.466 8.518 1.00 29.26 O ATOM 41 CB SER A 12 -29.673 100.182 9.985 1.00 34.49 C ATOM 42 OG SER A 12 -29.268 100.809 11.151 1.00 37.95 O ATOM 0 H SER A 12 -28.621 97.775 10.701 1.00 35.66 H new ATOM 0 HA SER A 12 -31.052 98.986 10.919 1.00 32.80 H new ATOM 0 HB2 SER A 12 -28.922 100.061 9.383 1.00 34.49 H new ATOM 0 HB3 SER A 12 -30.328 100.722 9.516 1.00 34.49 H new ATOM 0 HG SER A 12 -28.933 101.557 10.966 1.00 37.95 H new ATOM 43 N VAL A 13 -31.822 98.225 8.684 1.00 27.40 N ATOM 44 CA VAL A 13 -32.277 97.457 7.567 1.00 29.16 C ATOM 45 C VAL A 13 -33.202 98.309 6.747 1.00 30.64 C ATOM 46 O VAL A 13 -33.966 99.074 7.303 1.00 30.63 O ATOM 47 CB VAL A 13 -32.922 96.134 8.018 1.00 29.68 C ATOM 48 CG1 VAL A 13 -33.998 96.359 9.040 1.00 29.66 C ATOM 49 CG2 VAL A 13 -33.483 95.403 6.811 1.00 30.47 C ATOM 0 H VAL A 13 -32.415 98.739 9.037 1.00 27.40 H new ATOM 0 HA VAL A 13 -31.524 97.199 7.012 1.00 29.16 H new ATOM 0 HB VAL A 13 -32.236 95.591 8.436 1.00 29.68 H new ATOM 0 HG11 VAL A 13 -34.381 95.507 9.300 1.00 29.66 H new ATOM 0 HG12 VAL A 13 -33.618 96.794 9.820 1.00 29.66 H new ATOM 0 HG13 VAL A 13 -34.691 96.922 8.662 1.00 29.66 H new ATOM 0 HG21 VAL A 13 -33.889 94.570 7.097 1.00 30.47 H new ATOM 0 HG22 VAL A 13 -34.152 95.957 6.379 1.00 30.47 H new ATOM 0 HG23 VAL A 13 -32.767 95.215 6.185 1.00 30.47 H new ATOM 50 N TRP A 14 -33.049 98.252 5.424 1.00 35.59 N ATOM 51 CA TRP A 14 -33.952 98.969 4.531 1.00 39.81 C ATOM 52 C TRP A 14 -34.397 97.973 3.527 1.00 34.14 C ATOM 53 O TRP A 14 -33.659 97.086 3.147 1.00 35.59 O ATOM 54 CB TRP A 14 -33.319 100.187 3.782 1.00 50.12 C ATOM 55 CG TRP A 14 -32.687 101.263 4.683 1.00 62.51 C ATOM 56 CD1 TRP A 14 -33.246 102.471 5.079 1.00 74.52 C ATOM 57 CD2 TRP A 14 -31.413 101.192 5.315 1.00 61.87 C ATOM 58 NE1 TRP A 14 -32.389 103.132 5.923 1.00 69.67 N ATOM 59 CE2 TRP A 14 -31.257 102.366 6.082 1.00 66.64 C ATOM 60 CE3 TRP A 14 -30.403 100.224 5.346 1.00 60.03 C ATOM 61 CZ2 TRP A 14 -30.116 102.592 6.852 1.00 62.48 C ATOM 62 CZ3 TRP A 14 -29.284 100.450 6.118 1.00 57.45 C ATOM 63 CH2 TRP A 14 -29.146 101.622 6.850 1.00 60.14 C ATOM 0 H TRP A 14 -32.431 97.805 5.027 1.00 35.59 H new ATOM 0 HA TRP A 14 -34.666 99.348 5.067 1.00 39.81 H new ATOM 0 HB2 TRP A 14 -32.639 99.856 3.175 1.00 50.12 H new ATOM 0 HB3 TRP A 14 -34.005 100.605 3.238 1.00 50.12 H new ATOM 0 HD1 TRP A 14 -34.079 102.786 4.811 1.00 74.52 H new ATOM 0 HE1 TRP A 14 -32.535 103.896 6.290 1.00 69.67 H new ATOM 0 HE3 TRP A 14 -30.486 99.440 4.853 1.00 60.03 H new ATOM 0 HZ2 TRP A 14 -30.017 103.372 7.349 1.00 62.48 H new ATOM 0 HZ3 TRP A 14 -28.612 99.808 6.149 1.00 57.45 H new ATOM 0 HH2 TRP A 14 -28.375 101.753 7.353 1.00 60.14 H new ATOM 64 N VAL A 15 -35.636 98.105 3.138 1.00 31.67 N ATOM 65 CA VAL A 15 -36.154 97.400 2.040 1.00 33.90 C ATOM 66 C VAL A 15 -36.477 98.499 1.069 1.00 34.33 C ATOM 67 O VAL A 15 -37.178 99.448 1.420 1.00 36.70 O ATOM 68 CB VAL A 15 -37.450 96.642 2.432 1.00 36.29 C ATOM 69 CG1 VAL A 15 -38.039 95.920 1.210 1.00 37.92 C ATOM 70 CG2 VAL A 15 -37.169 95.653 3.552 1.00 33.29 C ATOM 0 H VAL A 15 -36.204 98.623 3.523 1.00 31.67 H new ATOM 0 HA VAL A 15 -35.543 96.732 1.692 1.00 33.90 H new ATOM 0 HB VAL A 15 -38.101 97.288 2.750 1.00 36.29 H new ATOM 0 HG11 VAL A 15 -38.848 95.451 1.470 1.00 37.92 H new ATOM 0 HG12 VAL A 15 -38.249 96.569 0.521 1.00 37.92 H new ATOM 0 HG13 VAL A 15 -37.392 95.283 0.867 1.00 37.92 H new ATOM 0 HG21 VAL A 15 -37.987 95.188 3.786 1.00 33.29 H new ATOM 0 HG22 VAL A 15 -36.505 95.010 3.257 1.00 33.29 H new ATOM 0 HG23 VAL A 15 -36.835 96.129 4.328 1.00 33.29 H new ATOM 71 N ARG A 16 -36.058 98.348 -0.173 1.00 35.81 N ATOM 72 CA ARG A 16 -36.257 99.415 -1.164 1.00 35.96 C ATOM 73 C ARG A 16 -36.243 98.836 -2.585 1.00 33.28 C ATOM 74 O ARG A 16 -35.993 97.636 -2.790 1.00 29.23 O ATOM 75 CB ARG A 16 -35.097 100.372 -1.014 1.00 37.01 C ATOM 76 CG ARG A 16 -33.785 99.693 -1.416 1.00 42.81 C ATOM 77 CD ARG A 16 -32.550 100.551 -1.243 1.00 48.56 C ATOM 78 NE ARG A 16 -32.653 101.798 -2.018 1.00 54.60 N ATOM 79 CZ ARG A 16 -32.413 101.933 -3.328 1.00 55.95 C ATOM 80 NH1 ARG A 16 -32.020 100.898 -4.069 1.00 60.70 N ATOM 81 NH2 ARG A 16 -32.571 103.122 -3.898 1.00 54.40 N ATOM 0 H ARG A 16 -35.659 97.647 -0.471 1.00 35.81 H new ATOM 0 HA ARG A 16 -37.110 99.855 -1.021 1.00 35.96 H new ATOM 0 HB2 ARG A 16 -35.244 101.156 -1.566 1.00 37.01 H new ATOM 0 HB3 ARG A 16 -35.040 100.679 -0.095 1.00 37.01 H new ATOM 0 HG2 ARG A 16 -33.679 98.885 -0.890 1.00 42.81 H new ATOM 0 HG3 ARG A 16 -33.847 99.421 -2.345 1.00 42.81 H new ATOM 0 HD2 ARG A 16 -32.428 100.760 -0.304 1.00 48.56 H new ATOM 0 HD3 ARG A 16 -31.766 100.055 -1.527 1.00 48.56 H new ATOM 0 HE ARG A 16 -32.889 102.505 -1.590 1.00 54.60 H new ATOM 0 HH11 ARG A 16 -31.916 100.125 -3.707 1.00 60.70 H new ATOM 0 HH12 ARG A 16 -31.870 101.003 -4.909 1.00 60.70 H new ATOM 0 HH21 ARG A 16 -32.825 103.795 -3.426 1.00 54.40 H new ATOM 0 HH22 ARG A 16 -32.419 103.219 -4.739 1.00 54.40 H new ATOM 82 N ASP A 17 -36.432 99.723 -3.552 1.00 33.88 N ATOM 83 CA ASP A 17 -36.210 99.446 -4.987 1.00 33.62 C ATOM 84 C ASP A 17 -37.025 98.287 -5.530 1.00 32.72 C ATOM 85 O ASP A 17 -36.483 97.256 -5.951 1.00 31.79 O ATOM 86 CB ASP A 17 -34.729 99.222 -5.298 1.00 35.01 C ATOM 87 CG ASP A 17 -34.456 99.141 -6.809 1.00 38.88 C ATOM 88 OD1 ASP A 17 -35.185 99.817 -7.598 1.00 43.18 O ATOM 89 OD2 ASP A 17 -33.540 98.385 -7.217 1.00 37.48 O ATOM 0 H ASP A 17 -36.700 100.526 -3.399 1.00 33.88 H new ATOM 0 HA ASP A 17 -36.521 100.246 -5.440 1.00 33.62 H new ATOM 0 HB2 ASP A 17 -34.207 99.945 -4.915 1.00 35.01 H new ATOM 0 HB3 ASP A 17 -34.432 98.402 -4.873 1.00 35.01 H new ATOM 90 N PRO A 18 -38.331 98.434 -5.511 1.00 31.49 N ATOM 91 CA PRO A 18 -39.159 97.374 -6.051 1.00 33.29 C ATOM 92 C PRO A 18 -38.877 97.236 -7.504 1.00 33.72 C ATOM 93 O PRO A 18 -38.672 98.251 -8.153 1.00 33.80 O ATOM 94 CB PRO A 18 -40.577 97.934 -5.861 1.00 32.24 C ATOM 95 CG PRO A 18 -40.379 99.389 -5.938 1.00 31.14 C ATOM 96 CD PRO A 18 -39.135 99.584 -5.106 1.00 31.14 C ATOM 0 HA PRO A 18 -39.019 96.509 -5.636 1.00 33.29 H new ATOM 0 HB2 PRO A 18 -41.182 97.618 -6.550 1.00 32.24 H new ATOM 0 HB3 PRO A 18 -40.955 97.669 -5.008 1.00 32.24 H new ATOM 0 HG2 PRO A 18 -40.255 99.690 -6.852 1.00 31.14 H new ATOM 0 HG3 PRO A 18 -41.136 99.878 -5.578 1.00 31.14 H new ATOM 0 HD2 PRO A 18 -38.693 100.425 -5.301 1.00 31.14 H new ATOM 0 HD3 PRO A 18 -39.327 99.579 -4.155 1.00 31.14 H new ATOM 97 N ARG A 19 -38.851 96.007 -8.002 1.00 35.31 N ATOM 98 CA ARG A 19 -38.633 95.740 -9.424 1.00 36.57 C ATOM 99 C ARG A 19 -39.326 94.510 -9.891 1.00 33.71 C ATOM 100 O ARG A 19 -39.261 93.465 -9.261 1.00 32.01 O ATOM 101 CB ARG A 19 -37.154 95.505 -9.727 1.00 41.05 C ATOM 102 CG ARG A 19 -36.321 96.766 -9.710 1.00 47.77 C ATOM 103 CD ARG A 19 -35.028 96.703 -10.534 1.00 56.21 C ATOM 104 NE ARG A 19 -34.289 97.958 -10.300 1.00 69.07 N ATOM 105 CZ ARG A 19 -34.660 99.184 -10.719 1.00 65.09 C ATOM 106 NH1 ARG A 19 -35.738 99.392 -11.461 1.00 59.49 N ATOM 107 NH2 ARG A 19 -33.924 100.219 -10.384 1.00 71.16 N ATOM 0 H ARG A 19 -38.959 95.299 -7.526 1.00 35.31 H new ATOM 0 HA ARG A 19 -38.980 96.525 -9.876 1.00 36.57 H new ATOM 0 HB2 ARG A 19 -36.794 94.881 -9.077 1.00 41.05 H new ATOM 0 HB3 ARG A 19 -37.073 95.086 -10.598 1.00 41.05 H new ATOM 0 HG2 ARG A 19 -36.863 97.500 -10.040 1.00 47.77 H new ATOM 0 HG3 ARG A 19 -36.092 96.974 -8.790 1.00 47.77 H new ATOM 0 HD2 ARG A 19 -34.493 95.938 -10.270 1.00 56.21 H new ATOM 0 HD3 ARG A 19 -35.230 96.597 -11.477 1.00 56.21 H new ATOM 0 HE ARG A 19 -33.555 97.902 -9.856 1.00 69.07 H new ATOM 0 HH11 ARG A 19 -36.234 98.729 -11.695 1.00 59.49 H new ATOM 0 HH12 ARG A 19 -35.942 100.190 -11.709 1.00 59.49 H new ATOM 0 HH21 ARG A 19 -33.218 100.108 -9.905 1.00 71.16 H new ATOM 0 HH22 ARG A 19 -34.148 101.008 -10.644 1.00 71.16 H new ATOM 108 N ILE A 20 -39.934 94.611 -11.056 1.00 34.09 N ATOM 109 CA ILE A 20 -40.535 93.445 -11.702 1.00 32.85 C ATOM 110 C ILE A 20 -39.488 92.432 -12.181 1.00 31.74 C ATOM 111 O ILE A 20 -38.353 92.778 -12.420 1.00 33.90 O ATOM 112 CB ILE A 20 -41.313 93.904 -12.884 1.00 31.98 C ATOM 113 CG1 ILE A 20 -42.230 92.795 -13.385 1.00 34.12 C ATOM 114 CG2 ILE A 20 -40.323 94.315 -13.940 1.00 34.77 C ATOM 115 CD1 ILE A 20 -43.432 93.294 -14.185 1.00 32.18 C ATOM 0 H ILE A 20 -40.014 95.345 -11.497 1.00 34.09 H new ATOM 0 HA ILE A 20 -41.098 93.006 -11.046 1.00 32.85 H new ATOM 0 HB ILE A 20 -41.882 94.654 -12.652 1.00 31.98 H new ATOM 0 HG12 ILE A 20 -41.715 92.188 -13.939 1.00 34.12 H new ATOM 0 HG13 ILE A 20 -42.549 92.284 -12.625 1.00 34.12 H new ATOM 0 HG21 ILE A 20 -40.799 94.621 -14.728 1.00 34.77 H new ATOM 0 HG22 ILE A 20 -39.766 95.033 -13.600 1.00 34.77 H new ATOM 0 HG23 ILE A 20 -39.765 93.557 -14.174 1.00 34.77 H new ATOM 0 HD11 ILE A 20 -43.968 92.537 -14.470 1.00 32.18 H new ATOM 0 HD12 ILE A 20 -43.970 93.880 -13.630 1.00 32.18 H new ATOM 0 HD13 ILE A 20 -43.122 93.782 -14.964 1.00 32.18 H new ATOM 116 N GLN A 21 -39.856 91.171 -12.247 1.00 31.35 N ATOM 117 CA GLN A 21 -38.930 90.126 -12.656 1.00 32.55 C ATOM 118 C GLN A 21 -39.613 89.087 -13.513 1.00 32.11 C ATOM 119 O GLN A 21 -40.770 88.824 -13.326 1.00 35.97 O ATOM 120 CB GLN A 21 -38.397 89.395 -11.440 1.00 33.44 C ATOM 121 CG GLN A 21 -37.708 90.265 -10.399 1.00 35.06 C ATOM 122 CD GLN A 21 -36.439 90.907 -10.898 1.00 34.01 C ATOM 123 OE1 GLN A 21 -35.748 90.367 -11.734 1.00 33.40 O ATOM 124 NE2 GLN A 21 -36.127 92.054 -10.367 1.00 36.86 N ATOM 0 H GLN A 21 -40.647 90.891 -12.058 1.00 31.35 H new ATOM 0 HA GLN A 21 -38.220 90.562 -13.153 1.00 32.55 H new ATOM 0 HB2 GLN A 21 -39.134 88.930 -11.013 1.00 33.44 H new ATOM 0 HB3 GLN A 21 -37.770 88.718 -11.739 1.00 33.44 H new ATOM 0 HG2 GLN A 21 -38.321 90.959 -10.110 1.00 35.06 H new ATOM 0 HG3 GLN A 21 -37.504 89.725 -9.620 1.00 35.06 H new ATOM 0 HE21 GLN A 21 -36.641 92.408 -9.776 1.00 36.86 H new ATOM 0 HE22 GLN A 21 -35.407 92.457 -10.607 1.00 36.86 H new ATOM 125 N LYS A 22 -38.874 88.466 -14.416 1.00 31.77 N ATOM 126 CA LYS A 22 -39.440 87.627 -15.455 1.00 30.26 C ATOM 127 C LYS A 22 -40.628 88.335 -16.106 1.00 30.18 C ATOM 128 O LYS A 22 -41.736 87.773 -16.282 1.00 33.20 O ATOM 129 CB LYS A 22 -39.859 86.307 -14.876 1.00 32.59 C ATOM 130 CG LYS A 22 -38.751 85.553 -14.202 1.00 37.92 C ATOM 131 CD LYS A 22 -37.830 84.852 -15.171 1.00 46.44 C ATOM 132 CE LYS A 22 -36.605 84.309 -14.435 1.00 56.67 C ATOM 133 NZ LYS A 22 -35.822 83.435 -15.357 1.00 68.36 N ATOM 0 H LYS A 22 -38.016 88.521 -14.443 1.00 31.77 H new ATOM 0 HA LYS A 22 -38.769 87.464 -16.136 1.00 30.26 H new ATOM 0 HB2 LYS A 22 -40.571 86.458 -14.235 1.00 32.59 H new ATOM 0 HB3 LYS A 22 -40.227 85.756 -15.585 1.00 32.59 H new ATOM 0 HG2 LYS A 22 -38.232 86.168 -13.660 1.00 37.92 H new ATOM 0 HG3 LYS A 22 -39.135 84.898 -13.598 1.00 37.92 H new ATOM 0 HD2 LYS A 22 -38.301 84.126 -15.608 1.00 46.44 H new ATOM 0 HD3 LYS A 22 -37.551 85.468 -15.866 1.00 46.44 H new ATOM 0 HE2 LYS A 22 -36.053 85.042 -14.121 1.00 56.67 H new ATOM 0 HE3 LYS A 22 -36.881 83.806 -13.653 1.00 56.67 H new ATOM 0 HZ1 LYS A 22 -35.108 83.118 -14.931 1.00 68.36 H new ATOM 0 HZ2 LYS A 22 -36.331 82.757 -15.628 1.00 68.36 H new ATOM 0 HZ3 LYS A 22 -35.559 83.908 -16.063 1.00 68.36 H new ATOM 134 N GLU A 23 -40.418 89.591 -16.446 1.00 30.96 N ATOM 135 CA GLU A 23 -41.499 90.424 -16.989 1.00 35.79 C ATOM 136 C GLU A 23 -42.030 89.976 -18.308 1.00 36.74 C ATOM 137 O GLU A 23 -43.156 90.254 -18.640 1.00 34.28 O ATOM 138 CB GLU A 23 -41.013 91.840 -17.201 1.00 40.58 C ATOM 139 CG GLU A 23 -42.042 92.816 -17.748 1.00 44.71 C ATOM 140 CD GLU A 23 -41.448 94.217 -17.925 1.00 52.03 C ATOM 141 OE1 GLU A 23 -40.193 94.348 -17.773 1.00 52.98 O ATOM 142 OE2 GLU A 23 -42.232 95.174 -18.209 1.00 47.46 O ATOM 0 H GLU A 23 -39.660 89.990 -16.374 1.00 30.96 H new ATOM 0 HA GLU A 23 -42.206 90.355 -16.328 1.00 35.79 H new ATOM 0 HB2 GLU A 23 -40.685 92.182 -16.354 1.00 40.58 H new ATOM 0 HB3 GLU A 23 -40.258 91.817 -17.809 1.00 40.58 H new ATOM 0 HG2 GLU A 23 -42.374 92.494 -18.601 1.00 44.71 H new ATOM 0 HG3 GLU A 23 -42.801 92.859 -17.146 1.00 44.71 H new ATOM 143 N ASP A 24 -41.208 89.303 -19.083 1.00 43.34 N ATOM 144 CA ASP A 24 -41.621 88.928 -20.422 1.00 47.36 C ATOM 145 C ASP A 24 -41.893 87.474 -20.481 1.00 42.85 C ATOM 146 O ASP A 24 -41.814 86.895 -21.554 1.00 37.14 O ATOM 147 CB ASP A 24 -40.536 89.307 -21.424 1.00 51.67 C ATOM 148 CG ASP A 24 -40.516 90.779 -21.684 1.00 52.76 C ATOM 149 OD1 ASP A 24 -41.559 91.489 -21.496 1.00 55.93 O ATOM 150 OD2 ASP A 24 -39.433 91.221 -22.066 1.00 58.12 O ATOM 0 H ASP A 24 -40.415 89.054 -18.860 1.00 43.34 H new ATOM 0 HA ASP A 24 -42.435 89.404 -20.649 1.00 47.36 H new ATOM 0 HB2 ASP A 24 -39.671 89.026 -21.087 1.00 51.67 H new ATOM 0 HB3 ASP A 24 -40.684 88.833 -22.257 1.00 51.67 H new ATOM 151 N PHE A 25 -42.209 86.911 -19.312 1.00 41.60 N ATOM 152 CA PHE A 25 -42.655 85.544 -19.162 1.00 40.77 C ATOM 153 C PHE A 25 -44.076 85.529 -18.623 1.00 44.82 C ATOM 154 O PHE A 25 -44.687 86.567 -18.359 1.00 49.01 O ATOM 155 CB PHE A 25 -41.756 84.830 -18.213 1.00 37.69 C ATOM 156 CG PHE A 25 -40.375 84.686 -18.706 1.00 39.55 C ATOM 157 CD1 PHE A 25 -39.624 85.815 -19.014 1.00 43.38 C ATOM 158 CD2 PHE A 25 -39.784 83.430 -18.815 1.00 40.98 C ATOM 159 CE1 PHE A 25 -38.318 85.697 -19.464 1.00 45.28 C ATOM 160 CE2 PHE A 25 -38.485 83.306 -19.269 1.00 45.88 C ATOM 161 CZ PHE A 25 -37.750 84.441 -19.599 1.00 45.27 C ATOM 0 H PHE A 25 -42.165 87.336 -18.566 1.00 41.60 H new ATOM 0 HA PHE A 25 -42.633 85.101 -20.025 1.00 40.77 H new ATOM 0 HB2 PHE A 25 -41.742 85.309 -17.370 1.00 37.69 H new ATOM 0 HB3 PHE A 25 -42.121 83.949 -18.033 1.00 37.69 H new ATOM 0 HD1 PHE A 25 -40.002 86.659 -18.917 1.00 43.38 H new ATOM 0 HD2 PHE A 25 -40.266 82.670 -18.581 1.00 40.98 H new ATOM 0 HE1 PHE A 25 -37.826 86.457 -19.674 1.00 45.28 H new ATOM 0 HE2 PHE A 25 -38.101 82.463 -19.354 1.00 45.88 H new ATOM 0 HZ PHE A 25 -36.878 84.356 -19.910 1.00 45.27 H new ATOM 162 N TRP A 26 -44.633 84.337 -18.512 1.00 49.55 N ATOM 163 CA TRP A 26 -45.802 84.124 -17.653 1.00 48.14 C ATOM 164 C TRP A 26 -45.120 83.969 -16.328 1.00 50.81 C ATOM 165 O TRP A 26 -44.010 83.448 -16.263 1.00 57.99 O ATOM 166 CB TRP A 26 -46.516 82.846 -18.078 1.00 45.83 C ATOM 167 CG TRP A 26 -46.943 82.928 -19.520 1.00 44.35 C ATOM 168 CD1 TRP A 26 -46.259 82.462 -20.618 1.00 42.52 C ATOM 169 CD2 TRP A 26 -48.098 83.592 -20.016 1.00 43.32 C ATOM 170 NE1 TRP A 26 -46.930 82.791 -21.776 1.00 43.67 N ATOM 171 CE2 TRP A 26 -48.069 83.473 -21.437 1.00 42.49 C ATOM 172 CE3 TRP A 26 -49.167 84.282 -19.395 1.00 47.85 C ATOM 173 CZ2 TRP A 26 -49.053 84.004 -22.246 1.00 45.28 C ATOM 174 CZ3 TRP A 26 -50.158 84.812 -20.198 1.00 47.64 C ATOM 175 CH2 TRP A 26 -50.095 84.662 -21.616 1.00 50.21 C ATOM 0 H TRP A 26 -44.356 83.634 -18.922 1.00 49.55 H new ATOM 0 HA TRP A 26 -46.482 84.815 -17.670 1.00 48.14 H new ATOM 0 HB2 TRP A 26 -45.928 82.085 -17.953 1.00 45.83 H new ATOM 0 HB3 TRP A 26 -47.292 82.701 -17.514 1.00 45.83 H new ATOM 0 HD1 TRP A 26 -45.457 81.992 -20.584 1.00 42.52 H new ATOM 0 HE1 TRP A 26 -46.677 82.601 -22.576 1.00 43.67 H new ATOM 0 HE3 TRP A 26 -49.201 84.376 -18.470 1.00 47.85 H new ATOM 0 HZ2 TRP A 26 -49.018 83.923 -23.172 1.00 45.28 H new ATOM 0 HZ3 TRP A 26 -50.870 85.269 -19.813 1.00 47.64 H new ATOM 0 HH2 TRP A 26 -50.779 85.019 -22.135 1.00 50.21 H new ATOM 176 N HIS A 27 -45.716 84.446 -15.261 1.00 50.54 N ATOM 177 CA HIS A 27 -45.159 84.160 -13.952 1.00 49.82 C ATOM 178 C HIS A 27 -44.188 85.178 -13.490 1.00 50.08 C ATOM 179 O HIS A 27 -43.390 84.899 -12.607 1.00 61.95 O ATOM 180 CB HIS A 27 -44.498 82.770 -13.878 1.00 50.85 C ATOM 181 CG HIS A 27 -45.470 81.635 -14.054 1.00 60.92 C ATOM 182 ND1 HIS A 27 -46.846 81.822 -14.118 1.00 58.62 N ATOM 183 CD2 HIS A 27 -45.270 80.296 -14.119 1.00 61.32 C ATOM 184 CE1 HIS A 27 -47.442 80.651 -14.231 1.00 58.31 C ATOM 185 NE2 HIS A 27 -46.510 79.712 -14.228 1.00 64.96 N ATOM 0 H HIS A 27 -46.428 84.928 -15.264 1.00 50.54 H new ATOM 0 HA HIS A 27 -45.926 84.179 -13.359 1.00 49.82 H new ATOM 0 HB2 HIS A 27 -43.812 82.709 -14.562 1.00 50.85 H new ATOM 0 HB3 HIS A 27 -44.053 82.676 -13.021 1.00 50.85 H new ATOM 0 HD2 HIS A 27 -44.451 79.856 -14.095 1.00 61.32 H new ATOM 0 HE1 HIS A 27 -48.359 80.510 -14.301 1.00 58.31 H new ATOM 0 HE2 HIS A 27 -46.657 78.867 -14.285 1.00 64.96 H new ATOM 186 N SER A 28 -44.298 86.382 -14.023 1.00 42.42 N ATOM 187 CA SER A 28 -43.615 87.506 -13.461 1.00 35.58 C ATOM 188 C SER A 28 -43.894 87.600 -11.963 1.00 34.65 C ATOM 189 O SER A 28 -44.896 87.076 -11.444 1.00 35.37 O ATOM 190 CB SER A 28 -44.127 88.756 -14.144 1.00 36.59 C ATOM 191 OG SER A 28 -44.539 88.437 -15.449 1.00 39.10 O ATOM 0 H SER A 28 -44.771 86.561 -14.718 1.00 42.42 H new ATOM 0 HA SER A 28 -42.659 87.409 -13.592 1.00 35.58 H new ATOM 0 HB2 SER A 28 -44.868 89.131 -13.642 1.00 36.59 H new ATOM 0 HB3 SER A 28 -43.431 89.431 -14.169 1.00 36.59 H new ATOM 0 HG SER A 28 -43.877 88.179 -15.897 1.00 39.10 H new ATOM 192 N TYR A 29 -42.986 88.291 -11.289 1.00 33.42 N ATOM 193 CA TYR A 29 -43.120 88.624 -9.892 1.00 32.12 C ATOM 194 C TYR A 29 -42.305 89.810 -9.499 1.00 32.32 C ATOM 195 O TYR A 29 -41.388 90.124 -10.163 1.00 30.83 O ATOM 196 CB TYR A 29 -42.629 87.514 -9.030 1.00 30.56 C ATOM 197 CG TYR A 29 -41.198 87.240 -9.186 1.00 28.29 C ATOM 198 CD1 TYR A 29 -40.271 87.777 -8.305 1.00 32.45 C ATOM 199 CD2 TYR A 29 -40.749 86.388 -10.156 1.00 26.79 C ATOM 200 CE1 TYR A 29 -38.912 87.469 -8.420 1.00 31.04 C ATOM 201 CE2 TYR A 29 -39.417 86.062 -10.271 1.00 27.65 C ATOM 202 CZ TYR A 29 -38.515 86.626 -9.406 1.00 29.65 C ATOM 203 OH TYR A 29 -37.217 86.375 -9.568 1.00 33.71 O ATOM 0 H TYR A 29 -42.260 88.584 -11.645 1.00 33.42 H new ATOM 0 HA TYR A 29 -44.066 88.801 -9.769 1.00 32.12 H new ATOM 0 HB2 TYR A 29 -42.810 87.731 -8.102 1.00 30.56 H new ATOM 0 HB3 TYR A 29 -43.129 86.709 -9.236 1.00 30.56 H new ATOM 0 HD1 TYR A 29 -40.557 88.349 -7.630 1.00 32.45 H new ATOM 0 HD2 TYR A 29 -41.359 86.019 -10.753 1.00 26.79 H new ATOM 0 HE1 TYR A 29 -38.292 87.835 -7.832 1.00 31.04 H new ATOM 0 HE2 TYR A 29 -39.132 85.467 -10.927 1.00 27.65 H new ATOM 0 HH TYR A 29 -37.112 85.841 -10.208 1.00 33.71 H new ATOM 204 N ILE A 30 -42.619 90.417 -8.355 1.00 35.88 N ATOM 205 CA ILE A 30 -41.924 91.636 -7.896 1.00 32.40 C ATOM 206 C ILE A 30 -40.971 91.244 -6.772 1.00 31.12 C ATOM 207 O ILE A 30 -41.274 90.362 -5.956 1.00 32.92 O ATOM 208 CB ILE A 30 -42.900 92.704 -7.397 1.00 31.82 C ATOM 209 CG1 ILE A 30 -42.172 93.969 -7.010 1.00 32.58 C ATOM 210 CG2 ILE A 30 -43.622 92.264 -6.140 1.00 34.07 C ATOM 211 CD1 ILE A 30 -43.114 95.085 -6.570 1.00 31.65 C ATOM 0 H ILE A 30 -43.235 90.141 -7.822 1.00 35.88 H new ATOM 0 HA ILE A 30 -41.442 92.019 -8.646 1.00 32.40 H new ATOM 0 HB ILE A 30 -43.520 92.849 -8.129 1.00 31.82 H new ATOM 0 HG12 ILE A 30 -41.552 93.773 -6.290 1.00 32.58 H new ATOM 0 HG13 ILE A 30 -41.644 94.276 -7.763 1.00 32.58 H new ATOM 0 HG21 ILE A 30 -44.230 92.964 -5.854 1.00 34.07 H new ATOM 0 HG22 ILE A 30 -44.124 91.454 -6.322 1.00 34.07 H new ATOM 0 HG23 ILE A 30 -42.975 92.092 -5.438 1.00 34.07 H new ATOM 0 HD11 ILE A 30 -42.597 95.871 -6.334 1.00 31.65 H new ATOM 0 HD12 ILE A 30 -43.719 95.303 -7.296 1.00 31.65 H new ATOM 0 HD13 ILE A 30 -43.626 94.792 -5.800 1.00 31.65 H new ATOM 212 N ASP A 31 -39.776 91.811 -6.764 1.00 30.21 N ATOM 213 CA ASP A 31 -38.877 91.590 -5.643 1.00 30.78 C ATOM 214 C ASP A 31 -38.320 92.918 -5.168 1.00 29.38 C ATOM 215 O ASP A 31 -38.591 93.987 -5.771 1.00 26.51 O ATOM 216 CB ASP A 31 -37.785 90.548 -5.942 1.00 31.44 C ATOM 217 CG ASP A 31 -36.838 91.011 -6.947 1.00 33.95 C ATOM 218 OD1 ASP A 31 -36.981 92.182 -7.301 1.00 37.12 O ATOM 219 OD2 ASP A 31 -35.958 90.230 -7.404 1.00 39.60 O ATOM 0 H ASP A 31 -39.469 92.319 -7.386 1.00 30.21 H new ATOM 0 HA ASP A 31 -39.388 91.200 -4.917 1.00 30.78 H new ATOM 0 HB2 ASP A 31 -37.308 90.339 -5.124 1.00 31.44 H new ATOM 0 HB3 ASP A 31 -38.200 89.726 -6.247 1.00 31.44 H new ATOM 220 N TYR A 32 -37.599 92.848 -4.044 1.00 27.90 N ATOM 221 CA TYR A 32 -37.119 94.045 -3.398 1.00 25.95 C ATOM 222 C TYR A 32 -35.692 93.874 -3.009 1.00 27.58 C ATOM 223 O TYR A 32 -35.190 92.751 -2.901 1.00 26.36 O ATOM 224 CB TYR A 32 -37.931 94.300 -2.179 1.00 24.46 C ATOM 225 CG TYR A 32 -39.326 94.779 -2.440 1.00 22.68 C ATOM 226 CD1 TYR A 32 -40.353 93.888 -2.632 1.00 22.66 C ATOM 227 CD2 TYR A 32 -39.618 96.110 -2.431 1.00 22.74 C ATOM 228 CE1 TYR A 32 -41.650 94.319 -2.800 1.00 23.90 C ATOM 229 CE2 TYR A 32 -40.903 96.569 -2.623 1.00 24.69 C ATOM 230 CZ TYR A 32 -41.930 95.683 -2.813 1.00 25.72 C ATOM 231 OH TYR A 32 -43.217 96.201 -3.013 1.00 25.06 O ATOM 0 H TYR A 32 -37.384 92.114 -3.650 1.00 27.90 H new ATOM 0 HA TYR A 32 -37.196 94.793 -4.011 1.00 25.95 H new ATOM 0 HB2 TYR A 32 -37.976 93.482 -1.659 1.00 24.46 H new ATOM 0 HB3 TYR A 32 -37.474 94.959 -1.633 1.00 24.46 H new ATOM 0 HD1 TYR A 32 -40.169 92.976 -2.649 1.00 22.66 H new ATOM 0 HD2 TYR A 32 -38.933 96.724 -2.292 1.00 22.74 H new ATOM 0 HE1 TYR A 32 -42.337 93.701 -2.904 1.00 23.90 H new ATOM 0 HE2 TYR A 32 -41.073 97.483 -2.624 1.00 24.69 H new ATOM 0 HH TYR A 32 -43.323 96.882 -2.533 1.00 25.06 H new ATOM 232 N GLU A 33 -35.041 95.002 -2.788 1.00 29.65 N ATOM 233 CA GLU A 33 -33.681 94.970 -2.290 1.00 31.76 C ATOM 234 C GLU A 33 -33.690 95.120 -0.774 1.00 29.57 C ATOM 235 O GLU A 33 -34.394 96.008 -0.232 1.00 27.94 O ATOM 236 CB GLU A 33 -32.891 96.112 -2.898 1.00 33.95 C ATOM 237 CG GLU A 33 -31.405 95.946 -2.628 1.00 37.22 C ATOM 238 CD GLU A 33 -30.550 97.031 -3.291 1.00 39.57 C ATOM 239 OE1 GLU A 33 -30.949 98.240 -3.298 1.00 34.13 O ATOM 240 OE2 GLU A 33 -29.449 96.632 -3.755 1.00 40.34 O ATOM 0 H GLU A 33 -35.364 95.788 -2.918 1.00 29.65 H new ATOM 0 HA GLU A 33 -33.271 94.125 -2.532 1.00 31.76 H new ATOM 0 HB2 GLU A 33 -33.048 96.146 -3.855 1.00 33.95 H new ATOM 0 HB3 GLU A 33 -33.198 96.955 -2.530 1.00 33.95 H new ATOM 0 HG2 GLU A 33 -31.252 95.961 -1.670 1.00 37.22 H new ATOM 0 HG3 GLU A 33 -31.119 95.076 -2.947 1.00 37.22 H new ATOM 241 N ILE A 34 -32.899 94.297 -0.100 1.00 26.42 N ATOM 242 CA ILE A 34 -32.813 94.340 1.342 1.00 28.12 C ATOM 243 C ILE A 34 -31.401 94.611 1.731 1.00 29.23 C ATOM 244 O ILE A 34 -30.482 93.854 1.407 1.00 29.66 O ATOM 245 CB ILE A 34 -33.181 93.011 1.922 1.00 32.18 C ATOM 246 CG1 ILE A 34 -34.601 92.657 1.538 1.00 35.32 C ATOM 247 CG2 ILE A 34 -33.097 93.023 3.432 1.00 32.23 C ATOM 248 CD1 ILE A 34 -34.779 91.165 1.623 1.00 40.30 C ATOM 0 H ILE A 34 -32.400 93.701 -0.468 1.00 26.42 H new ATOM 0 HA ILE A 34 -33.414 95.028 1.668 1.00 28.12 H new ATOM 0 HB ILE A 34 -32.554 92.359 1.571 1.00 32.18 H new ATOM 0 HG12 ILE A 34 -35.228 93.103 2.129 1.00 35.32 H new ATOM 0 HG13 ILE A 34 -34.791 92.966 0.638 1.00 35.32 H new ATOM 0 HG21 ILE A 34 -33.341 92.150 3.777 1.00 32.23 H new ATOM 0 HG22 ILE A 34 -32.191 93.236 3.704 1.00 32.23 H new ATOM 0 HG23 ILE A 34 -33.706 93.691 3.785 1.00 32.23 H new ATOM 0 HD11 ILE A 34 -35.688 90.933 1.378 1.00 40.30 H new ATOM 0 HD12 ILE A 34 -34.160 90.730 1.016 1.00 40.30 H new ATOM 0 HD13 ILE A 34 -34.604 90.869 2.530 1.00 40.30 H new ATOM 249 N CYS A 35 -31.219 95.718 2.416 1.00 31.54 N ATOM 250 CA CYS A 35 -29.907 96.227 2.691 1.00 33.04 C ATOM 251 C CYS A 35 -29.726 96.228 4.183 1.00 31.14 C ATOM 252 O CYS A 35 -30.566 96.751 4.916 1.00 26.86 O ATOM 253 CB CYS A 35 -29.809 97.633 2.130 1.00 38.10 C ATOM 254 SG CYS A 35 -29.707 97.672 0.324 1.00 49.37 S ATOM 0 H CYS A 35 -31.859 96.196 2.735 1.00 31.54 H new ATOM 0 HA CYS A 35 -29.215 95.684 2.282 1.00 33.04 H new ATOM 0 HB2 CYS A 35 -30.582 98.144 2.416 1.00 38.10 H new ATOM 0 HB3 CYS A 35 -29.027 98.070 2.502 1.00 38.10 H new ATOM 255 N ILE A 36 -28.650 95.613 4.627 1.00 30.27 N ATOM 256 CA ILE A 36 -28.292 95.606 6.036 1.00 33.36 C ATOM 257 C ILE A 36 -27.070 96.438 6.284 1.00 31.88 C ATOM 258 O ILE A 36 -26.137 96.410 5.502 1.00 33.78 O ATOM 259 CB ILE A 36 -27.904 94.201 6.463 1.00 34.93 C ATOM 260 CG1 ILE A 36 -29.134 93.329 6.424 1.00 38.00 C ATOM 261 CG2 ILE A 36 -27.262 94.169 7.838 1.00 34.04 C ATOM 262 CD1 ILE A 36 -30.135 93.662 7.496 1.00 39.59 C ATOM 0 H ILE A 36 -28.102 95.185 4.121 1.00 30.27 H new ATOM 0 HA ILE A 36 -29.059 95.946 6.522 1.00 33.36 H new ATOM 0 HB ILE A 36 -27.236 93.865 5.845 1.00 34.93 H new ATOM 0 HG12 ILE A 36 -29.558 93.417 5.556 1.00 38.00 H new ATOM 0 HG13 ILE A 36 -28.868 92.401 6.516 1.00 38.00 H new ATOM 0 HG21 ILE A 36 -27.032 93.255 8.067 1.00 34.04 H new ATOM 0 HG22 ILE A 36 -26.458 94.712 7.833 1.00 34.04 H new ATOM 0 HG23 ILE A 36 -27.884 94.519 8.494 1.00 34.04 H new ATOM 0 HD11 ILE A 36 -30.900 93.071 7.420 1.00 39.59 H new ATOM 0 HD12 ILE A 36 -29.725 93.549 8.368 1.00 39.59 H new ATOM 0 HD13 ILE A 36 -30.426 94.581 7.393 1.00 39.59 H new ATOM 263 N HIS A 37 -27.082 97.197 7.366 1.00 33.29 N ATOM 264 CA HIS A 37 -25.876 97.849 7.847 1.00 31.84 C ATOM 265 C HIS A 37 -25.780 97.631 9.333 1.00 31.64 C ATOM 266 O HIS A 37 -26.657 98.056 10.071 1.00 30.68 O ATOM 267 CB HIS A 37 -25.883 99.345 7.546 1.00 30.26 C ATOM 268 CG HIS A 37 -24.627 100.024 7.977 1.00 32.75 C ATOM 269 ND1 HIS A 37 -24.596 101.308 8.485 1.00 31.10 N ATOM 270 CD2 HIS A 37 -23.357 99.564 8.028 1.00 32.75 C ATOM 271 CE1 HIS A 37 -23.359 101.609 8.803 1.00 31.38 C ATOM 272 NE2 HIS A 37 -22.591 100.568 8.536 1.00 32.88 N ATOM 0 H HIS A 37 -27.783 97.349 7.840 1.00 33.29 H new ATOM 0 HA HIS A 37 -25.111 97.465 7.391 1.00 31.84 H new ATOM 0 HB2 HIS A 37 -26.008 99.479 6.594 1.00 30.26 H new ATOM 0 HB3 HIS A 37 -26.639 99.758 7.992 1.00 30.26 H new ATOM 0 HD1 HIS A 37 -25.276 101.826 8.578 1.00 31.10 H new ATOM 0 HD2 HIS A 37 -23.063 98.722 7.766 1.00 32.75 H new ATOM 0 HE1 HIS A 37 -23.071 102.419 9.157 1.00 31.38 H new ATOM 273 N THR A 38 -24.720 96.993 9.777 1.00 30.02 N ATOM 274 CA THR A 38 -24.587 96.774 11.176 1.00 32.99 C ATOM 275 C THR A 38 -23.137 96.867 11.572 1.00 36.77 C ATOM 276 O THR A 38 -22.245 96.705 10.734 1.00 36.75 O ATOM 277 CB THR A 38 -25.073 95.381 11.555 1.00 33.41 C ATOM 278 OG1 THR A 38 -25.005 95.201 12.989 1.00 34.49 O ATOM 279 CG2 THR A 38 -24.217 94.302 10.879 1.00 33.54 C ATOM 0 H THR A 38 -24.082 96.687 9.289 1.00 30.02 H new ATOM 0 HA THR A 38 -25.117 97.447 11.631 1.00 32.99 H new ATOM 0 HB THR A 38 -25.991 95.295 11.255 1.00 33.41 H new ATOM 0 HG1 THR A 38 -25.443 95.809 13.369 1.00 34.49 H new ATOM 0 HG21 THR A 38 -24.542 93.424 11.133 1.00 33.54 H new ATOM 0 HG22 THR A 38 -24.273 94.401 9.916 1.00 33.54 H new ATOM 0 HG23 THR A 38 -23.294 94.398 11.160 1.00 33.54 H new ATOM 280 N ASN A 39 -22.894 97.110 12.860 1.00 37.61 N ATOM 281 CA ASN A 39 -21.564 96.882 13.402 1.00 36.11 C ATOM 282 C ASN A 39 -21.538 95.733 14.380 1.00 33.81 C ATOM 283 O ASN A 39 -20.645 95.641 15.166 1.00 31.98 O ATOM 284 CB ASN A 39 -21.089 98.122 14.113 1.00 38.39 C ATOM 285 CG ASN A 39 -21.815 98.331 15.387 1.00 39.88 C ATOM 286 OD1 ASN A 39 -22.516 97.436 15.848 1.00 45.44 O ATOM 287 ND2 ASN A 39 -21.752 99.523 15.909 1.00 39.51 N ATOM 0 H ASN A 39 -23.475 97.401 13.423 1.00 37.61 H new ATOM 0 HA ASN A 39 -20.983 96.664 12.656 1.00 36.11 H new ATOM 0 HB2 ASN A 39 -20.138 98.050 14.290 1.00 38.39 H new ATOM 0 HB3 ASN A 39 -21.214 98.893 13.538 1.00 38.39 H new ATOM 0 HD21 ASN A 39 -22.215 99.711 16.609 1.00 39.51 H new ATOM 0 HD22 ASN A 39 -21.247 100.122 15.554 1.00 39.51 H new ATOM 288 N SER A 40 -22.524 94.857 14.337 1.00 36.53 N ATOM 289 CA SER A 40 -22.672 93.866 15.370 1.00 35.20 C ATOM 290 C SER A 40 -21.818 92.645 15.090 1.00 37.24 C ATOM 291 O SER A 40 -21.546 92.304 13.957 1.00 40.12 O ATOM 292 CB SER A 40 -24.146 93.503 15.480 1.00 35.07 C ATOM 293 OG SER A 40 -24.336 92.225 16.017 1.00 36.20 O ATOM 0 H SER A 40 -23.117 94.823 13.715 1.00 36.53 H new ATOM 0 HA SER A 40 -22.364 94.228 16.216 1.00 35.20 H new ATOM 0 HB2 SER A 40 -24.598 94.157 16.036 1.00 35.07 H new ATOM 0 HB3 SER A 40 -24.555 93.547 14.602 1.00 35.07 H new ATOM 0 HG SER A 40 -25.118 92.160 16.317 1.00 36.20 H new ATOM 294 N MET A 41 -21.404 91.982 16.146 1.00 44.99 N ATOM 295 CA MET A 41 -20.652 90.745 16.040 1.00 52.32 C ATOM 296 C MET A 41 -21.535 89.670 15.458 1.00 48.99 C ATOM 297 O MET A 41 -21.045 88.649 15.023 1.00 45.88 O ATOM 298 CB MET A 41 -20.240 90.252 17.443 1.00 70.20 C ATOM 299 CG MET A 41 -19.127 91.007 18.164 1.00 82.88 C ATOM 300 SD MET A 41 -17.526 90.775 17.346 1.00106.22 S ATOM 301 CE MET A 41 -17.295 88.997 17.513 1.00100.06 C ATOM 0 H MET A 41 -21.550 92.236 16.955 1.00 44.99 H new ATOM 0 HA MET A 41 -19.874 90.913 15.485 1.00 52.32 H new ATOM 0 HB2 MET A 41 -21.028 90.271 18.009 1.00 70.20 H new ATOM 0 HB3 MET A 41 -19.969 89.324 17.365 1.00 70.20 H new ATOM 0 HG2 MET A 41 -19.342 91.952 18.193 1.00 82.88 H new ATOM 0 HG3 MET A 41 -19.069 90.701 19.083 1.00 82.88 H new ATOM 0 HE1 MET A 41 -16.348 88.789 17.483 1.00100.06 H new ATOM 0 HE2 MET A 41 -17.664 88.701 18.360 1.00100.06 H new ATOM 0 HE3 MET A 41 -17.748 88.542 16.786 1.00100.06 H new ATOM 302 N CYS A 42 -22.850 89.852 15.567 1.00 53.47 N ATOM 303 CA CYS A 42 -23.833 88.814 15.192 1.00 54.30 C ATOM 304 C CYS A 42 -23.758 88.464 13.718 1.00 47.00 C ATOM 305 O CYS A 42 -23.867 87.311 13.366 1.00 46.30 O ATOM 306 CB CYS A 42 -25.264 89.229 15.583 1.00 56.08 C ATOM 307 SG CYS A 42 -25.533 89.193 17.369 1.00 69.48 S ATOM 0 H CYS A 42 -23.205 90.579 15.860 1.00 53.47 H new ATOM 0 HA CYS A 42 -23.602 88.016 15.692 1.00 54.30 H new ATOM 0 HB2 CYS A 42 -25.440 90.123 15.251 1.00 56.08 H new ATOM 0 HB3 CYS A 42 -25.899 88.636 15.152 1.00 56.08 H new ATOM 0 HG CYS A 42 -26.660 89.526 17.611 1.00 69.48 H new ATOM 308 N PHE A 43 -23.531 89.464 12.877 1.00 41.11 N ATOM 309 CA PHE A 43 -23.479 89.261 11.452 1.00 37.82 C ATOM 310 C PHE A 43 -22.087 88.941 10.960 1.00 35.06 C ATOM 311 O PHE A 43 -21.153 89.413 11.535 1.00 35.67 O ATOM 312 CB PHE A 43 -24.012 90.476 10.766 1.00 36.68 C ATOM 313 CG PHE A 43 -25.472 90.623 10.928 1.00 39.96 C ATOM 314 CD1 PHE A 43 -26.001 91.120 12.113 1.00 41.48 C ATOM 315 CD2 PHE A 43 -26.327 90.260 9.919 1.00 40.16 C ATOM 316 CE1 PHE A 43 -27.354 91.276 12.269 1.00 39.43 C ATOM 317 CE2 PHE A 43 -27.688 90.408 10.069 1.00 40.66 C ATOM 318 CZ PHE A 43 -28.194 90.931 11.238 1.00 41.54 C ATOM 0 H PHE A 43 -23.403 90.278 13.124 1.00 41.11 H new ATOM 0 HA PHE A 43 -24.028 88.490 11.240 1.00 37.82 H new ATOM 0 HB2 PHE A 43 -23.570 91.263 11.120 1.00 36.68 H new ATOM 0 HB3 PHE A 43 -23.798 90.430 9.821 1.00 36.68 H new ATOM 0 HD1 PHE A 43 -25.429 91.350 12.810 1.00 41.48 H new ATOM 0 HD2 PHE A 43 -25.985 89.911 9.128 1.00 40.16 H new ATOM 0 HE1 PHE A 43 -27.700 91.612 13.064 1.00 39.43 H new ATOM 0 HE2 PHE A 43 -28.263 90.156 9.383 1.00 40.66 H new ATOM 0 HZ PHE A 43 -29.112 91.052 11.330 1.00 41.54 H new ATOM 319 N THR A 44 -21.983 88.160 9.882 1.00 33.75 N ATOM 320 CA THR A 44 -20.723 87.960 9.187 1.00 34.21 C ATOM 321 C THR A 44 -20.260 89.238 8.438 1.00 34.58 C ATOM 322 O THR A 44 -19.159 89.710 8.661 1.00 43.27 O ATOM 323 CB THR A 44 -20.848 86.831 8.197 1.00 34.63 C ATOM 324 OG1 THR A 44 -21.010 85.609 8.901 1.00 37.07 O ATOM 325 CG2 THR A 44 -19.619 86.703 7.401 1.00 36.31 C ATOM 0 H THR A 44 -22.646 87.733 9.538 1.00 33.75 H new ATOM 0 HA THR A 44 -20.059 87.744 9.860 1.00 34.21 H new ATOM 0 HB THR A 44 -21.606 87.018 7.621 1.00 34.63 H new ATOM 0 HG1 THR A 44 -20.385 85.085 8.701 1.00 37.07 H new ATOM 0 HG21 THR A 44 -19.717 85.973 6.770 1.00 36.31 H new ATOM 0 HG22 THR A 44 -19.459 87.529 6.917 1.00 36.31 H new ATOM 0 HG23 THR A 44 -18.869 86.523 7.990 1.00 36.31 H new ATOM 326 N MET A 45 -21.119 89.806 7.612 1.00 31.46 N ATOM 327 CA MET A 45 -20.817 90.993 6.864 1.00 33.16 C ATOM 328 C MET A 45 -21.474 92.177 7.511 1.00 30.69 C ATOM 329 O MET A 45 -22.580 92.075 7.952 1.00 33.07 O ATOM 330 CB MET A 45 -21.366 90.867 5.429 1.00 34.56 C ATOM 331 CG MET A 45 -20.731 89.737 4.658 1.00 35.87 C ATOM 332 SD MET A 45 -18.995 90.075 4.376 1.00 36.99 S ATOM 333 CE MET A 45 -18.339 88.488 3.894 1.00 34.94 C ATOM 0 H MET A 45 -21.911 89.500 7.472 1.00 31.46 H new ATOM 0 HA MET A 45 -19.854 91.108 6.843 1.00 33.16 H new ATOM 0 HB2 MET A 45 -22.326 90.729 5.465 1.00 34.56 H new ATOM 0 HB3 MET A 45 -21.217 91.700 4.956 1.00 34.56 H new ATOM 0 HG2 MET A 45 -20.830 88.906 5.149 1.00 35.87 H new ATOM 0 HG3 MET A 45 -21.186 89.620 3.809 1.00 35.87 H new ATOM 0 HE1 MET A 45 -17.485 88.612 3.451 1.00 34.94 H new ATOM 0 HE2 MET A 45 -18.217 87.935 4.682 1.00 34.94 H new ATOM 0 HE3 MET A 45 -18.958 88.053 3.287 1.00 34.94 H new ATOM 334 N LYS A 46 -20.815 93.321 7.500 1.00 28.72 N ATOM 335 CA LYS A 46 -21.332 94.500 8.137 1.00 26.96 C ATOM 336 C LYS A 46 -22.225 95.233 7.220 1.00 24.22 C ATOM 337 O LYS A 46 -22.995 96.067 7.646 1.00 22.02 O ATOM 338 CB LYS A 46 -20.205 95.423 8.533 1.00 32.21 C ATOM 339 CG LYS A 46 -19.122 94.774 9.381 1.00 39.53 C ATOM 340 CD LYS A 46 -19.653 94.197 10.668 1.00 44.46 C ATOM 341 CE LYS A 46 -18.501 93.553 11.418 1.00 49.12 C ATOM 342 NZ LYS A 46 -18.923 92.197 11.872 1.00 56.83 N ATOM 0 H LYS A 46 -20.052 93.430 7.119 1.00 28.72 H new ATOM 0 HA LYS A 46 -21.823 94.218 8.924 1.00 26.96 H new ATOM 0 HB2 LYS A 46 -19.798 95.781 7.728 1.00 32.21 H new ATOM 0 HB3 LYS A 46 -20.575 96.175 9.022 1.00 32.21 H new ATOM 0 HG2 LYS A 46 -18.694 94.070 8.868 1.00 39.53 H new ATOM 0 HG3 LYS A 46 -18.439 95.432 9.584 1.00 39.53 H new ATOM 0 HD2 LYS A 46 -20.059 94.893 11.207 1.00 44.46 H new ATOM 0 HD3 LYS A 46 -20.344 93.542 10.484 1.00 44.46 H new ATOM 0 HE2 LYS A 46 -17.721 93.488 10.845 1.00 49.12 H new ATOM 0 HE3 LYS A 46 -18.249 94.099 12.179 1.00 49.12 H new ATOM 0 HZ1 LYS A 46 -18.254 91.810 12.313 1.00 56.83 H new ATOM 0 HZ2 LYS A 46 -19.629 92.270 12.409 1.00 56.83 H new ATOM 0 HZ3 LYS A 46 -19.138 91.701 11.165 1.00 56.83 H new ATOM 343 N THR A 47 -22.097 94.984 5.935 1.00 25.27 N ATOM 344 CA THR A 47 -23.086 95.469 5.011 1.00 27.70 C ATOM 345 C THR A 47 -23.471 94.363 4.050 1.00 27.83 C ATOM 346 O THR A 47 -22.658 93.476 3.787 1.00 28.12 O ATOM 347 CB THR A 47 -22.584 96.609 4.126 1.00 29.72 C ATOM 348 OG1 THR A 47 -21.553 96.077 3.271 1.00 33.26 O ATOM 349 CG2 THR A 47 -22.054 97.741 4.914 1.00 29.65 C ATOM 0 H THR A 47 -21.451 94.540 5.582 1.00 25.27 H new ATOM 0 HA THR A 47 -23.822 95.779 5.562 1.00 27.70 H new ATOM 0 HB THR A 47 -23.327 96.957 3.609 1.00 29.72 H new ATOM 0 HG1 THR A 47 -21.214 95.397 3.630 1.00 33.26 H new ATOM 0 HG21 THR A 47 -21.748 98.438 4.313 1.00 29.65 H new ATOM 0 HG22 THR A 47 -22.753 98.092 5.487 1.00 29.65 H new ATOM 0 HG23 THR A 47 -21.312 97.436 5.460 1.00 29.65 H new ATOM 350 N SER A 48 -24.698 94.456 3.515 1.00 26.88 N ATOM 351 CA SER A 48 -25.203 93.503 2.541 1.00 25.89 C ATOM 352 C SER A 48 -26.400 94.091 1.825 1.00 27.08 C ATOM 353 O SER A 48 -27.174 94.832 2.425 1.00 26.09 O ATOM 354 CB SER A 48 -25.551 92.203 3.226 1.00 24.99 C ATOM 355 OG SER A 48 -26.461 92.410 4.284 1.00 24.74 O ATOM 0 H SER A 48 -25.256 95.080 3.714 1.00 26.88 H new ATOM 0 HA SER A 48 -24.518 93.317 1.880 1.00 25.89 H new ATOM 0 HB2 SER A 48 -25.935 91.588 2.582 1.00 24.99 H new ATOM 0 HB3 SER A 48 -24.743 91.788 3.567 1.00 24.99 H new ATOM 0 HG SER A 48 -27.244 92.431 3.980 1.00 24.74 H new ATOM 356 N CYS A 49 -26.487 93.837 0.514 1.00 32.63 N ATOM 357 CA CYS A 49 -27.728 94.068 -0.271 1.00 37.15 C ATOM 358 C CYS A 49 -28.000 92.764 -1.015 1.00 37.83 C ATOM 359 O CYS A 49 -27.083 92.143 -1.536 1.00 43.59 O ATOM 360 CB CYS A 49 -27.729 95.302 -1.189 1.00 36.42 C ATOM 361 SG CYS A 49 -27.741 96.862 -0.249 1.00 51.23 S ATOM 0 H CYS A 49 -25.834 93.526 0.048 1.00 32.63 H new ATOM 0 HA CYS A 49 -28.447 94.296 0.339 1.00 37.15 H new ATOM 0 HB2 CYS A 49 -26.946 95.278 -1.761 1.00 36.42 H new ATOM 0 HB3 CYS A 49 -28.506 95.270 -1.769 1.00 36.42 H new ATOM 362 N VAL A 50 -29.250 92.326 -0.948 1.00 32.23 N ATOM 363 CA VAL A 50 -29.690 91.103 -1.522 1.00 29.02 C ATOM 364 C VAL A 50 -31.113 91.320 -1.996 1.00 27.64 C ATOM 365 O VAL A 50 -31.789 92.245 -1.566 1.00 29.48 O ATOM 366 CB VAL A 50 -29.623 90.019 -0.472 1.00 32.48 C ATOM 367 CG1 VAL A 50 -30.822 90.084 0.440 1.00 33.09 C ATOM 368 CG2 VAL A 50 -29.573 88.674 -1.116 1.00 35.16 C ATOM 0 H VAL A 50 -29.876 92.761 -0.549 1.00 32.23 H new ATOM 0 HA VAL A 50 -29.134 90.831 -2.269 1.00 29.02 H new ATOM 0 HB VAL A 50 -28.817 90.160 0.050 1.00 32.48 H new ATOM 0 HG11 VAL A 50 -30.761 89.381 1.106 1.00 33.09 H new ATOM 0 HG12 VAL A 50 -30.846 90.947 0.882 1.00 33.09 H new ATOM 0 HG13 VAL A 50 -31.632 89.965 -0.081 1.00 33.09 H new ATOM 0 HG21 VAL A 50 -29.530 87.988 -0.431 1.00 35.16 H new ATOM 0 HG22 VAL A 50 -30.369 88.543 -1.655 1.00 35.16 H new ATOM 0 HG23 VAL A 50 -28.787 88.615 -1.682 1.00 35.16 H new ATOM 369 N ARG A 51 -31.572 90.560 -2.973 1.00 27.99 N ATOM 370 CA ARG A 51 -32.958 90.803 -3.486 1.00 26.35 C ATOM 371 C ARG A 51 -33.821 89.611 -3.143 1.00 23.77 C ATOM 372 O ARG A 51 -33.370 88.455 -3.297 1.00 21.32 O ATOM 373 CB ARG A 51 -32.990 91.049 -5.008 1.00 25.84 C ATOM 374 CG ARG A 51 -32.309 92.335 -5.440 1.00 24.54 C ATOM 375 CD ARG A 51 -32.709 92.784 -6.827 1.00 21.51 C ATOM 376 NE ARG A 51 -34.084 93.219 -6.844 1.00 20.19 N ATOM 377 CZ ARG A 51 -34.479 94.467 -6.667 1.00 22.59 C ATOM 378 NH1 ARG A 51 -33.602 95.436 -6.477 1.00 25.38 N ATOM 379 NH2 ARG A 51 -35.765 94.788 -6.692 1.00 23.26 N ATOM 0 H ARG A 51 -31.139 89.921 -3.353 1.00 27.99 H new ATOM 0 HA ARG A 51 -33.297 91.607 -3.062 1.00 26.35 H new ATOM 0 HB2 ARG A 51 -32.564 90.302 -5.456 1.00 25.84 H new ATOM 0 HB3 ARG A 51 -33.914 91.068 -5.304 1.00 25.84 H new ATOM 0 HG2 ARG A 51 -32.523 93.036 -4.805 1.00 24.54 H new ATOM 0 HG3 ARG A 51 -31.347 92.210 -5.412 1.00 24.54 H new ATOM 0 HD2 ARG A 51 -32.132 93.508 -7.117 1.00 21.51 H new ATOM 0 HD3 ARG A 51 -32.587 92.055 -7.456 1.00 21.51 H new ATOM 0 HE ARG A 51 -34.690 92.624 -6.979 1.00 20.19 H new ATOM 0 HH11 ARG A 51 -32.761 95.259 -6.467 1.00 25.38 H new ATOM 0 HH12 ARG A 51 -33.872 96.244 -6.363 1.00 25.38 H new ATOM 0 HH21 ARG A 51 -36.358 94.179 -6.825 1.00 23.26 H new ATOM 0 HH22 ARG A 51 -36.007 95.605 -6.575 1.00 23.26 H new ATOM 380 N ARG A 52 -35.015 89.875 -2.613 1.00 23.31 N ATOM 381 CA ARG A 52 -35.925 88.785 -2.186 1.00 22.56 C ATOM 382 C ARG A 52 -37.345 89.187 -2.441 1.00 25.45 C ATOM 383 O ARG A 52 -37.669 90.387 -2.583 1.00 25.06 O ATOM 384 CB ARG A 52 -35.727 88.423 -0.713 1.00 21.02 C ATOM 385 CG ARG A 52 -34.296 88.072 -0.467 1.00 20.70 C ATOM 386 CD ARG A 52 -33.991 86.856 0.292 1.00 19.07 C ATOM 387 NE ARG A 52 -33.669 85.694 -0.489 1.00 18.81 N ATOM 388 CZ ARG A 52 -32.571 84.924 -0.349 1.00 22.42 C ATOM 389 NH1 ARG A 52 -31.576 85.222 0.465 1.00 23.80 N ATOM 390 NH2 ARG A 52 -32.452 83.798 -1.046 1.00 24.01 N ATOM 0 H ARG A 52 -35.324 90.668 -2.489 1.00 23.31 H new ATOM 0 HA ARG A 52 -35.714 87.994 -2.706 1.00 22.56 H new ATOM 0 HB2 ARG A 52 -35.987 89.169 -0.150 1.00 21.02 H new ATOM 0 HB3 ARG A 52 -36.298 87.676 -0.475 1.00 21.02 H new ATOM 0 HG2 ARG A 52 -33.859 87.998 -1.330 1.00 20.70 H new ATOM 0 HG3 ARG A 52 -33.885 88.819 -0.004 1.00 20.70 H new ATOM 0 HD2 ARG A 52 -33.246 87.043 0.884 1.00 19.07 H new ATOM 0 HD3 ARG A 52 -34.754 86.646 0.854 1.00 19.07 H new ATOM 0 HE ARG A 52 -34.228 85.469 -1.102 1.00 18.81 H new ATOM 0 HH11 ARG A 52 -31.609 85.938 0.940 1.00 23.80 H new ATOM 0 HH12 ARG A 52 -30.895 84.700 0.521 1.00 23.80 H new ATOM 0 HH21 ARG A 52 -33.076 83.559 -1.587 1.00 24.01 H new ATOM 0 HH22 ARG A 52 -31.751 83.308 -0.955 1.00 24.01 H new ATOM 391 N ARG A 53 -38.194 88.179 -2.530 1.00 29.52 N ATOM 392 CA ARG A 53 -39.595 88.400 -2.818 1.00 34.45 C ATOM 393 C ARG A 53 -40.429 87.862 -1.698 1.00 32.62 C ATOM 394 O ARG A 53 -39.981 87.013 -0.890 1.00 29.50 O ATOM 395 CB ARG A 53 -39.986 87.694 -4.122 1.00 42.82 C ATOM 396 CG ARG A 53 -39.266 86.370 -4.289 1.00 47.85 C ATOM 397 CD ARG A 53 -40.119 85.217 -4.756 1.00 52.02 C ATOM 398 NE ARG A 53 -39.816 84.784 -6.112 1.00 59.58 N ATOM 399 CZ ARG A 53 -40.709 84.418 -7.032 1.00 57.35 C ATOM 400 NH1 ARG A 53 -42.007 84.490 -6.796 1.00 51.80 N ATOM 401 NH2 ARG A 53 -40.285 84.020 -8.224 1.00 58.73 N ATOM 0 H ARG A 53 -37.976 87.354 -2.426 1.00 29.52 H new ATOM 0 HA ARG A 53 -39.748 89.353 -2.913 1.00 34.45 H new ATOM 0 HB2 ARG A 53 -40.944 87.544 -4.133 1.00 42.82 H new ATOM 0 HB3 ARG A 53 -39.781 88.270 -4.875 1.00 42.82 H new ATOM 0 HG2 ARG A 53 -38.541 86.492 -4.922 1.00 47.85 H new ATOM 0 HG3 ARG A 53 -38.863 86.130 -3.440 1.00 47.85 H new ATOM 0 HD2 ARG A 53 -39.999 84.469 -4.151 1.00 52.02 H new ATOM 0 HD3 ARG A 53 -41.053 85.474 -4.707 1.00 52.02 H new ATOM 0 HE ARG A 53 -38.987 84.762 -6.340 1.00 59.58 H new ATOM 0 HH11 ARG A 53 -42.291 84.777 -6.037 1.00 51.80 H new ATOM 0 HH12 ARG A 53 -42.568 84.249 -7.402 1.00 51.80 H new ATOM 0 HH21 ARG A 53 -39.443 84.000 -8.396 1.00 58.73 H new ATOM 0 HH22 ARG A 53 -40.852 83.782 -8.825 1.00 58.73 H new ATOM 402 N TYR A 54 -41.688 88.290 -1.741 1.00 31.21 N ATOM 403 CA TYR A 54 -42.613 88.028 -0.669 1.00 29.53 C ATOM 404 C TYR A 54 -42.673 86.579 -0.319 1.00 30.13 C ATOM 405 O TYR A 54 -42.589 86.218 0.816 1.00 35.86 O ATOM 406 CB TYR A 54 -43.953 88.522 -1.079 1.00 31.50 C ATOM 407 CG TYR A 54 -45.021 88.449 -0.061 1.00 33.29 C ATOM 408 CD1 TYR A 54 -45.730 87.285 0.129 1.00 33.31 C ATOM 409 CD2 TYR A 54 -45.400 89.579 0.657 1.00 35.28 C ATOM 410 CE1 TYR A 54 -46.735 87.215 1.069 1.00 34.21 C ATOM 411 CE2 TYR A 54 -46.422 89.524 1.596 1.00 35.29 C ATOM 412 CZ TYR A 54 -47.086 88.336 1.793 1.00 35.09 C ATOM 413 OH TYR A 54 -48.110 88.259 2.689 1.00 34.20 O ATOM 0 H TYR A 54 -42.020 88.739 -2.395 1.00 31.21 H new ATOM 0 HA TYR A 54 -42.309 88.491 0.127 1.00 29.53 H new ATOM 0 HB2 TYR A 54 -43.863 89.446 -1.360 1.00 31.50 H new ATOM 0 HB3 TYR A 54 -44.239 88.016 -1.856 1.00 31.50 H new ATOM 0 HD1 TYR A 54 -45.528 86.536 -0.384 1.00 33.31 H new ATOM 0 HD2 TYR A 54 -44.961 90.385 0.506 1.00 35.28 H new ATOM 0 HE1 TYR A 54 -47.178 86.410 1.216 1.00 34.21 H new ATOM 0 HE2 TYR A 54 -46.654 90.280 2.085 1.00 35.29 H new ATOM 0 HH TYR A 54 -48.198 88.998 3.079 1.00 34.20 H new ATOM 414 N ARG A 55 -42.774 85.723 -1.293 1.00 35.47 N ATOM 415 CA ARG A 55 -42.903 84.306 -1.015 1.00 41.63 C ATOM 416 C ARG A 55 -41.702 83.831 -0.206 1.00 34.84 C ATOM 417 O ARG A 55 -41.856 82.934 0.617 1.00 36.82 O ATOM 418 CB ARG A 55 -43.161 83.477 -2.323 1.00 55.05 C ATOM 419 CG ARG A 55 -42.491 82.088 -2.342 1.00 80.25 C ATOM 420 CD ARG A 55 -43.151 81.014 -3.260 1.00 96.44 C ATOM 421 NE ARG A 55 -42.917 81.152 -4.721 1.00103.44 N ATOM 422 CZ ARG A 55 -41.768 80.866 -5.353 1.00102.39 C ATOM 423 NH1 ARG A 55 -41.681 81.004 -6.680 1.00 85.91 N ATOM 424 NH2 ARG A 55 -40.698 80.454 -4.671 1.00103.31 N ATOM 0 H ARG A 55 -42.771 85.931 -2.128 1.00 35.47 H new ATOM 0 HA ARG A 55 -43.690 84.154 -0.469 1.00 41.63 H new ATOM 0 HB2 ARG A 55 -44.118 83.364 -2.437 1.00 55.05 H new ATOM 0 HB3 ARG A 55 -42.843 83.987 -3.084 1.00 55.05 H new ATOM 0 HG2 ARG A 55 -41.568 82.199 -2.619 1.00 80.25 H new ATOM 0 HG3 ARG A 55 -42.476 81.745 -1.435 1.00 80.25 H new ATOM 0 HD2 ARG A 55 -42.832 80.141 -2.983 1.00 96.44 H new ATOM 0 HD3 ARG A 55 -44.108 81.029 -3.104 1.00 96.44 H new ATOM 0 HE ARG A 55 -43.571 81.438 -5.201 1.00103.44 H new ATOM 0 HH11 ARG A 55 -42.362 81.276 -7.130 1.00 85.91 H new ATOM 0 HH12 ARG A 55 -40.944 80.821 -7.084 1.00 85.91 H new ATOM 0 HH21 ARG A 55 -40.739 80.369 -3.816 1.00103.31 H new ATOM 0 HH22 ARG A 55 -39.967 80.273 -5.086 1.00103.31 H new ATOM 425 N GLU A 56 -40.528 84.426 -0.399 1.00 32.54 N ATOM 426 CA GLU A 56 -39.310 84.012 0.359 1.00 31.57 C ATOM 427 C GLU A 56 -39.384 84.494 1.819 1.00 27.05 C ATOM 428 O GLU A 56 -38.955 83.779 2.710 1.00 21.48 O ATOM 429 CB GLU A 56 -37.999 84.510 -0.297 1.00 31.03 C ATOM 430 CG GLU A 56 -37.650 83.858 -1.629 1.00 31.77 C ATOM 431 CD GLU A 56 -36.463 84.506 -2.368 1.00 33.39 C ATOM 432 OE1 GLU A 56 -36.611 85.644 -2.900 1.00 35.01 O ATOM 433 OE2 GLU A 56 -35.387 83.872 -2.467 1.00 30.35 O ATOM 0 H GLU A 56 -40.400 85.068 -0.956 1.00 32.54 H new ATOM 0 HA GLU A 56 -39.292 83.042 0.341 1.00 31.57 H new ATOM 0 HB2 GLU A 56 -38.065 85.469 -0.430 1.00 31.03 H new ATOM 0 HB3 GLU A 56 -37.267 84.359 0.322 1.00 31.03 H new ATOM 0 HG2 GLU A 56 -37.448 82.922 -1.474 1.00 31.77 H new ATOM 0 HG3 GLU A 56 -38.430 83.888 -2.205 1.00 31.77 H new ATOM 434 N PHE A 57 -39.908 85.703 2.024 1.00 25.04 N ATOM 435 CA PHE A 57 -40.238 86.183 3.353 1.00 27.11 C ATOM 436 C PHE A 57 -41.191 85.255 4.117 1.00 29.88 C ATOM 437 O PHE A 57 -41.021 84.991 5.326 1.00 28.01 O ATOM 438 CB PHE A 57 -40.923 87.523 3.251 1.00 28.73 C ATOM 439 CG PHE A 57 -39.992 88.638 3.030 1.00 32.89 C ATOM 440 CD1 PHE A 57 -39.595 88.981 1.772 1.00 35.03 C ATOM 441 CD2 PHE A 57 -39.451 89.317 4.099 1.00 35.32 C ATOM 442 CE1 PHE A 57 -38.692 90.011 1.584 1.00 33.40 C ATOM 443 CE2 PHE A 57 -38.559 90.342 3.909 1.00 32.81 C ATOM 444 CZ PHE A 57 -38.192 90.695 2.658 1.00 31.20 C ATOM 0 H PHE A 57 -40.080 86.263 1.394 1.00 25.04 H new ATOM 0 HA PHE A 57 -39.397 86.230 3.834 1.00 27.11 H new ATOM 0 HB2 PHE A 57 -41.564 87.497 2.524 1.00 28.73 H new ATOM 0 HB3 PHE A 57 -41.424 87.685 4.065 1.00 28.73 H new ATOM 0 HD1 PHE A 57 -39.933 88.521 1.038 1.00 35.03 H new ATOM 0 HD2 PHE A 57 -39.694 89.077 4.964 1.00 35.32 H new ATOM 0 HE1 PHE A 57 -38.423 90.240 0.724 1.00 33.40 H new ATOM 0 HE2 PHE A 57 -38.207 90.794 4.642 1.00 32.81 H new ATOM 0 HZ PHE A 57 -37.601 91.401 2.527 1.00 31.20 H new ATOM 445 N VAL A 58 -42.213 84.765 3.405 1.00 27.87 N ATOM 446 CA VAL A 58 -43.143 83.795 3.970 1.00 25.56 C ATOM 447 C VAL A 58 -42.375 82.525 4.420 1.00 22.95 C ATOM 448 O VAL A 58 -42.493 82.090 5.538 1.00 23.94 O ATOM 449 CB VAL A 58 -44.258 83.441 2.961 1.00 25.71 C ATOM 450 CG1 VAL A 58 -45.059 82.267 3.439 1.00 25.82 C ATOM 451 CG2 VAL A 58 -45.176 84.624 2.746 1.00 26.27 C ATOM 0 H VAL A 58 -42.381 84.986 2.591 1.00 27.87 H new ATOM 0 HA VAL A 58 -43.569 84.191 4.747 1.00 25.56 H new ATOM 0 HB VAL A 58 -43.833 83.210 2.120 1.00 25.71 H new ATOM 0 HG11 VAL A 58 -45.752 82.063 2.792 1.00 25.82 H new ATOM 0 HG12 VAL A 58 -44.477 81.498 3.542 1.00 25.82 H new ATOM 0 HG13 VAL A 58 -45.467 82.480 4.293 1.00 25.82 H new ATOM 0 HG21 VAL A 58 -45.869 84.385 2.111 1.00 26.27 H new ATOM 0 HG22 VAL A 58 -45.584 84.875 3.590 1.00 26.27 H new ATOM 0 HG23 VAL A 58 -44.665 85.372 2.399 1.00 26.27 H new ATOM 452 N TRP A 59 -41.601 81.952 3.538 1.00 20.87 N ATOM 453 CA TRP A 59 -40.792 80.837 3.880 1.00 22.43 C ATOM 454 C TRP A 59 -39.959 81.134 5.122 1.00 25.84 C ATOM 455 O TRP A 59 -39.726 80.269 5.987 1.00 25.20 O ATOM 456 CB TRP A 59 -39.867 80.525 2.706 1.00 22.54 C ATOM 457 CG TRP A 59 -38.907 79.626 3.101 1.00 24.00 C ATOM 458 CD1 TRP A 59 -39.052 78.307 3.175 1.00 27.55 C ATOM 459 CD2 TRP A 59 -37.599 79.933 3.581 1.00 27.90 C ATOM 460 NE1 TRP A 59 -37.891 77.714 3.662 1.00 30.74 N ATOM 461 CE2 TRP A 59 -36.985 78.697 3.928 1.00 29.45 C ATOM 462 CE3 TRP A 59 -36.868 81.130 3.739 1.00 29.40 C ATOM 463 CZ2 TRP A 59 -35.699 78.608 4.435 1.00 29.55 C ATOM 464 CZ3 TRP A 59 -35.572 81.048 4.251 1.00 31.29 C ATOM 465 CH2 TRP A 59 -35.006 79.784 4.610 1.00 30.72 C ATOM 0 H TRP A 59 -41.533 82.205 2.719 1.00 20.87 H new ATOM 0 HA TRP A 59 -41.363 80.076 4.071 1.00 22.43 H new ATOM 0 HB2 TRP A 59 -40.379 80.161 1.967 1.00 22.54 H new ATOM 0 HB3 TRP A 59 -39.448 81.340 2.387 1.00 22.54 H new ATOM 0 HD1 TRP A 59 -39.822 77.845 2.935 1.00 27.55 H new ATOM 0 HE1 TRP A 59 -37.766 76.871 3.776 1.00 30.74 H new ATOM 0 HE3 TRP A 59 -37.240 81.951 3.508 1.00 29.40 H new ATOM 0 HZ2 TRP A 59 -35.319 77.786 4.649 1.00 29.55 H new ATOM 0 HZ3 TRP A 59 -35.071 81.824 4.360 1.00 31.29 H new ATOM 0 HH2 TRP A 59 -34.149 79.756 4.970 1.00 30.72 H new ATOM 466 N LEU A 60 -39.455 82.367 5.190 1.00 29.34 N ATOM 467 CA LEU A 60 -38.493 82.715 6.223 1.00 30.39 C ATOM 468 C LEU A 60 -39.232 82.735 7.541 1.00 29.53 C ATOM 469 O LEU A 60 -38.760 82.183 8.531 1.00 26.19 O ATOM 470 CB LEU A 60 -37.868 84.110 5.966 1.00 32.66 C ATOM 471 CG LEU A 60 -36.996 84.689 7.100 1.00 30.42 C ATOM 472 CD1 LEU A 60 -35.790 83.832 7.361 1.00 30.84 C ATOM 473 CD2 LEU A 60 -36.562 86.090 6.765 1.00 30.32 C ATOM 0 H LEU A 60 -39.657 83.007 4.652 1.00 29.34 H new ATOM 0 HA LEU A 60 -37.773 82.066 6.227 1.00 30.39 H new ATOM 0 HB2 LEU A 60 -37.327 84.058 5.163 1.00 32.66 H new ATOM 0 HB3 LEU A 60 -38.586 84.736 5.784 1.00 32.66 H new ATOM 0 HG LEU A 60 -37.537 84.704 7.905 1.00 30.42 H new ATOM 0 HD11 LEU A 60 -35.264 84.222 8.077 1.00 30.84 H new ATOM 0 HD12 LEU A 60 -36.075 82.941 7.618 1.00 30.84 H new ATOM 0 HD13 LEU A 60 -35.251 83.779 6.557 1.00 30.84 H new ATOM 0 HD21 LEU A 60 -36.016 86.441 7.486 1.00 30.32 H new ATOM 0 HD22 LEU A 60 -36.046 86.082 5.943 1.00 30.32 H new ATOM 0 HD23 LEU A 60 -37.344 86.652 6.650 1.00 30.32 H new ATOM 474 N ARG A 61 -40.398 83.380 7.511 1.00 26.59 N ATOM 475 CA ARG A 61 -41.170 83.497 8.682 1.00 26.51 C ATOM 476 C ARG A 61 -41.503 82.151 9.268 1.00 27.73 C ATOM 477 O ARG A 61 -41.513 81.978 10.488 1.00 28.02 O ATOM 478 CB ARG A 61 -42.438 84.258 8.408 1.00 26.16 C ATOM 479 CG ARG A 61 -43.185 84.635 9.672 1.00 26.00 C ATOM 480 CD ARG A 61 -44.442 85.397 9.289 1.00 26.76 C ATOM 481 NE ARG A 61 -45.085 86.006 10.429 1.00 30.56 N ATOM 482 CZ ARG A 61 -45.871 85.368 11.297 1.00 29.00 C ATOM 483 NH1 ARG A 61 -46.138 84.094 11.151 1.00 28.39 N ATOM 484 NH2 ARG A 61 -46.375 86.018 12.319 1.00 27.27 N ATOM 0 H ARG A 61 -40.737 83.747 6.811 1.00 26.59 H new ATOM 0 HA ARG A 61 -40.636 83.985 9.329 1.00 26.51 H new ATOM 0 HB2 ARG A 61 -42.225 85.063 7.911 1.00 26.16 H new ATOM 0 HB3 ARG A 61 -43.016 83.721 7.844 1.00 26.16 H new ATOM 0 HG2 ARG A 61 -43.415 83.839 10.176 1.00 26.00 H new ATOM 0 HG3 ARG A 61 -42.623 85.180 10.244 1.00 26.00 H new ATOM 0 HD2 ARG A 61 -44.216 86.084 8.643 1.00 26.76 H new ATOM 0 HD3 ARG A 61 -45.064 84.793 8.855 1.00 26.76 H new ATOM 0 HE ARG A 61 -44.951 86.846 10.558 1.00 30.56 H new ATOM 0 HH11 ARG A 61 -45.805 83.658 10.489 1.00 28.39 H new ATOM 0 HH12 ARG A 61 -46.646 83.694 11.717 1.00 28.39 H new ATOM 0 HH21 ARG A 61 -46.198 86.853 12.427 1.00 27.27 H new ATOM 0 HH22 ARG A 61 -46.882 85.609 12.881 1.00 27.27 H new ATOM 485 N GLN A 62 -41.817 81.190 8.416 1.00 28.78 N ATOM 486 CA GLN A 62 -42.321 79.939 8.927 1.00 29.86 C ATOM 487 C GLN A 62 -41.151 79.115 9.349 1.00 30.90 C ATOM 488 O GLN A 62 -41.259 78.340 10.293 1.00 30.45 O ATOM 489 CB GLN A 62 -43.268 79.259 7.931 1.00 31.00 C ATOM 490 CG GLN A 62 -44.477 80.193 7.520 1.00 35.78 C ATOM 491 CD GLN A 62 -45.177 81.008 8.696 1.00 37.22 C ATOM 492 OE1 GLN A 62 -45.056 82.250 8.805 1.00 35.56 O ATOM 493 NE2 GLN A 62 -45.949 80.300 9.525 1.00 35.77 N ATOM 0 H GLN A 62 -41.747 81.242 7.560 1.00 28.78 H new ATOM 0 HA GLN A 62 -42.880 80.078 9.708 1.00 29.86 H new ATOM 0 HB2 GLN A 62 -42.772 79.007 7.136 1.00 31.00 H new ATOM 0 HB3 GLN A 62 -43.612 78.441 8.322 1.00 31.00 H new ATOM 0 HG2 GLN A 62 -44.159 80.827 6.858 1.00 35.78 H new ATOM 0 HG3 GLN A 62 -45.151 79.645 7.087 1.00 35.78 H new ATOM 0 HE21 GLN A 62 -46.015 79.448 9.429 1.00 35.77 H new ATOM 0 HE22 GLN A 62 -46.380 80.696 10.155 1.00 35.77 H new ATOM 494 N ARG A 63 -40.003 79.328 8.715 1.00 32.33 N ATOM 495 CA ARG A 63 -38.835 78.548 9.079 1.00 34.12 C ATOM 496 C ARG A 63 -38.472 78.994 10.479 1.00 36.11 C ATOM 497 O ARG A 63 -38.293 78.163 11.370 1.00 37.99 O ATOM 498 CB ARG A 63 -37.712 78.758 8.089 1.00 35.92 C ATOM 499 CG ARG A 63 -36.500 77.897 8.305 1.00 42.21 C ATOM 500 CD ARG A 63 -36.874 76.456 8.524 1.00 54.97 C ATOM 501 NE ARG A 63 -35.896 75.517 7.951 1.00 68.77 N ATOM 502 CZ ARG A 63 -34.650 75.303 8.395 1.00 71.12 C ATOM 503 NH1 ARG A 63 -34.132 75.970 9.419 1.00 69.36 N ATOM 504 NH2 ARG A 63 -33.907 74.397 7.787 1.00 81.74 N ATOM 0 H ARG A 63 -39.883 79.904 8.088 1.00 32.33 H new ATOM 0 HA ARG A 63 -39.010 77.594 9.060 1.00 34.12 H new ATOM 0 HB2 ARG A 63 -38.053 78.594 7.196 1.00 35.92 H new ATOM 0 HB3 ARG A 63 -37.440 79.689 8.123 1.00 35.92 H new ATOM 0 HG2 ARG A 63 -35.912 77.966 7.536 1.00 42.21 H new ATOM 0 HG3 ARG A 63 -36.003 78.223 9.072 1.00 42.21 H new ATOM 0 HD2 ARG A 63 -36.956 76.289 9.476 1.00 54.97 H new ATOM 0 HD3 ARG A 63 -37.745 76.289 8.130 1.00 54.97 H new ATOM 0 HE ARG A 63 -36.148 75.062 7.266 1.00 68.77 H new ATOM 0 HH11 ARG A 63 -34.600 76.566 9.825 1.00 69.36 H new ATOM 0 HH12 ARG A 63 -33.328 75.806 9.677 1.00 69.36 H new ATOM 0 HH21 ARG A 63 -34.225 73.958 7.120 1.00 81.74 H new ATOM 0 HH22 ARG A 63 -33.105 74.246 8.058 1.00 81.74 H new ATOM 505 N LEU A 64 -38.432 80.309 10.693 1.00 32.76 N ATOM 506 CA LEU A 64 -38.064 80.839 11.993 1.00 31.21 C ATOM 507 C LEU A 64 -39.049 80.337 13.046 1.00 32.47 C ATOM 508 O LEU A 64 -38.649 79.989 14.154 1.00 34.74 O ATOM 509 CB LEU A 64 -38.054 82.382 11.959 1.00 30.65 C ATOM 510 CG LEU A 64 -36.961 83.089 11.140 1.00 28.64 C ATOM 511 CD1 LEU A 64 -37.196 84.566 11.094 1.00 26.36 C ATOM 512 CD2 LEU A 64 -35.571 82.808 11.671 1.00 27.67 C ATOM 0 H LEU A 64 -38.614 80.904 10.099 1.00 32.76 H new ATOM 0 HA LEU A 64 -37.172 80.533 12.221 1.00 31.21 H new ATOM 0 HB2 LEU A 64 -38.914 82.675 11.619 1.00 30.65 H new ATOM 0 HB3 LEU A 64 -37.988 82.697 12.874 1.00 30.65 H new ATOM 0 HG LEU A 64 -37.014 82.729 10.241 1.00 28.64 H new ATOM 0 HD11 LEU A 64 -36.496 84.989 10.573 1.00 26.36 H new ATOM 0 HD12 LEU A 64 -38.056 84.744 10.683 1.00 26.36 H new ATOM 0 HD13 LEU A 64 -37.189 84.923 11.996 1.00 26.36 H new ATOM 0 HD21 LEU A 64 -34.916 83.272 11.126 1.00 27.67 H new ATOM 0 HD22 LEU A 64 -35.506 83.118 12.588 1.00 27.67 H new ATOM 0 HD23 LEU A 64 -35.399 81.854 11.639 1.00 27.67 H new ATOM 513 N GLN A 65 -40.344 80.307 12.698 1.00 34.59 N ATOM 514 CA GLN A 65 -41.405 79.949 13.668 1.00 31.31 C ATOM 515 C GLN A 65 -41.209 78.527 14.101 1.00 32.97 C ATOM 516 O GLN A 65 -41.295 78.197 15.263 1.00 36.22 O ATOM 517 CB GLN A 65 -42.775 80.150 13.097 1.00 28.23 C ATOM 518 CG GLN A 65 -43.935 79.916 14.071 1.00 29.94 C ATOM 519 CD GLN A 65 -44.036 80.928 15.206 1.00 30.87 C ATOM 520 OE1 GLN A 65 -44.688 82.004 15.105 1.00 29.72 O ATOM 521 NE2 GLN A 65 -43.383 80.588 16.324 1.00 32.83 N ATOM 0 H GLN A 65 -40.632 80.489 11.909 1.00 34.59 H new ATOM 0 HA GLN A 65 -41.335 80.537 14.436 1.00 31.31 H new ATOM 0 HB2 GLN A 65 -42.837 81.056 12.756 1.00 28.23 H new ATOM 0 HB3 GLN A 65 -42.884 79.554 12.340 1.00 28.23 H new ATOM 0 HG2 GLN A 65 -44.766 79.926 13.571 1.00 29.94 H new ATOM 0 HG3 GLN A 65 -43.845 79.029 14.453 1.00 29.94 H new ATOM 0 HE21 GLN A 65 -42.948 79.847 16.359 1.00 32.83 H new ATOM 0 HE22 GLN A 65 -43.398 81.111 17.007 1.00 32.83 H new ATOM 522 N SER A 66 -40.815 77.683 13.186 1.00 34.25 N ATOM 523 CA SER A 66 -40.643 76.324 13.578 1.00 37.46 C ATOM 524 C SER A 66 -39.377 76.030 14.345 1.00 36.98 C ATOM 525 O SER A 66 -39.207 74.934 14.799 1.00 39.95 O ATOM 526 CB SER A 66 -40.670 75.454 12.344 1.00 41.15 C ATOM 527 OG SER A 66 -39.451 75.656 11.680 1.00 46.41 O ATOM 0 H SER A 66 -40.648 77.868 12.363 1.00 34.25 H new ATOM 0 HA SER A 66 -41.373 76.133 14.187 1.00 37.46 H new ATOM 0 HB2 SER A 66 -40.781 74.521 12.583 1.00 41.15 H new ATOM 0 HB3 SER A 66 -41.417 75.691 11.772 1.00 41.15 H new ATOM 0 HG SER A 66 -39.275 76.477 11.660 1.00 46.41 H new ATOM 528 N ASN A 67 -38.434 76.935 14.452 1.00 40.91 N ATOM 529 CA ASN A 67 -37.277 76.609 15.302 1.00 44.50 C ATOM 530 C ASN A 67 -37.409 77.281 16.644 1.00 40.47 C ATOM 531 O ASN A 67 -36.611 77.035 17.550 1.00 35.51 O ATOM 532 CB ASN A 67 -35.956 77.034 14.662 1.00 52.72 C ATOM 533 CG ASN A 67 -35.745 76.428 13.285 1.00 56.38 C ATOM 534 OD1 ASN A 67 -35.237 77.103 12.340 1.00 61.64 O ATOM 535 ND2 ASN A 67 -36.134 75.169 13.145 1.00 51.07 N ATOM 0 H ASN A 67 -38.425 77.706 14.072 1.00 40.91 H new ATOM 0 HA ASN A 67 -37.268 75.645 15.409 1.00 44.50 H new ATOM 0 HB2 ASN A 67 -35.932 78.001 14.592 1.00 52.72 H new ATOM 0 HB3 ASN A 67 -35.223 76.773 15.241 1.00 52.72 H new ATOM 0 HD21 ASN A 67 -36.046 74.774 12.386 1.00 51.07 H new ATOM 0 HD22 ASN A 67 -36.474 74.747 13.813 1.00 51.07 H new ATOM 536 N ALA A 68 -38.395 78.172 16.735 1.00 37.71 N ATOM 537 CA ALA A 68 -38.659 78.926 17.933 1.00 36.84 C ATOM 538 C ALA A 68 -40.158 78.846 18.231 1.00 40.29 C ATOM 539 O ALA A 68 -40.916 79.776 17.935 1.00 34.33 O ATOM 540 CB ALA A 68 -38.202 80.364 17.742 1.00 34.76 C ATOM 0 H ALA A 68 -38.932 78.350 16.087 1.00 37.71 H new ATOM 0 HA ALA A 68 -38.169 78.561 18.687 1.00 36.84 H new ATOM 0 HB1 ALA A 68 -38.381 80.870 18.550 1.00 34.76 H new ATOM 0 HB2 ALA A 68 -37.250 80.379 17.555 1.00 34.76 H new ATOM 0 HB3 ALA A 68 -38.683 80.761 16.999 1.00 34.76 H new ATOM 541 N LEU A 69 -40.608 77.730 18.801 1.00 44.85 N ATOM 542 CA LEU A 69 -42.069 77.532 18.863 1.00 53.80 C ATOM 543 C LEU A 69 -42.723 78.681 19.669 1.00 49.14 C ATOM 544 O LEU A 69 -43.797 79.164 19.326 1.00 38.31 O ATOM 545 CB LEU A 69 -42.488 76.063 19.272 1.00 68.00 C ATOM 546 CG LEU A 69 -42.550 75.367 20.705 1.00 83.73 C ATOM 547 CD1 LEU A 69 -43.879 74.620 20.985 1.00 82.43 C ATOM 548 CD2 LEU A 69 -41.349 74.436 21.008 1.00 84.68 C ATOM 0 H LEU A 69 -40.124 77.105 19.141 1.00 44.85 H new ATOM 0 HA LEU A 69 -42.437 77.596 17.968 1.00 53.80 H new ATOM 0 HB2 LEU A 69 -43.383 75.958 18.913 1.00 68.00 H new ATOM 0 HB3 LEU A 69 -41.904 75.491 18.750 1.00 68.00 H new ATOM 0 HG LEU A 69 -42.499 76.120 21.314 1.00 83.73 H new ATOM 0 HD11 LEU A 69 -43.847 74.223 21.869 1.00 82.43 H new ATOM 0 HD12 LEU A 69 -44.618 75.246 20.939 1.00 82.43 H new ATOM 0 HD13 LEU A 69 -44.004 73.923 20.322 1.00 82.43 H new ATOM 0 HD21 LEU A 69 -41.454 74.050 21.892 1.00 84.68 H new ATOM 0 HD22 LEU A 69 -41.315 73.727 20.347 1.00 84.68 H new ATOM 0 HD23 LEU A 69 -40.526 74.948 20.975 1.00 84.68 H new ATOM 549 N LEU A 70 -42.007 79.220 20.648 1.00 51.10 N ATOM 550 CA LEU A 70 -42.641 80.142 21.580 1.00 48.38 C ATOM 551 C LEU A 70 -42.539 81.594 21.222 1.00 43.95 C ATOM 552 O LEU A 70 -43.019 82.457 21.955 1.00 43.54 O ATOM 553 CB LEU A 70 -42.049 79.921 22.932 1.00 56.26 C ATOM 554 CG LEU A 70 -42.765 78.756 23.603 1.00 66.69 C ATOM 555 CD1 LEU A 70 -41.785 78.087 24.567 1.00 67.39 C ATOM 556 CD2 LEU A 70 -44.050 79.211 24.303 1.00 67.49 C ATOM 0 H LEU A 70 -41.172 79.070 20.789 1.00 51.10 H new ATOM 0 HA LEU A 70 -43.590 79.944 21.551 1.00 48.38 H new ATOM 0 HB2 LEU A 70 -41.101 79.732 22.856 1.00 56.26 H new ATOM 0 HB3 LEU A 70 -42.136 80.723 23.471 1.00 56.26 H new ATOM 0 HG LEU A 70 -43.046 78.111 22.935 1.00 66.69 H new ATOM 0 HD11 LEU A 70 -42.222 77.340 25.006 1.00 67.39 H new ATOM 0 HD12 LEU A 70 -41.014 77.766 24.074 1.00 67.39 H new ATOM 0 HD13 LEU A 70 -41.497 78.730 25.234 1.00 67.39 H new ATOM 0 HD21 LEU A 70 -44.480 78.447 24.719 1.00 67.49 H new ATOM 0 HD22 LEU A 70 -43.833 79.869 24.982 1.00 67.49 H new ATOM 0 HD23 LEU A 70 -44.651 79.605 23.652 1.00 67.49 H new ATOM 557 N VAL A 71 -41.968 81.884 20.067 1.00 38.89 N ATOM 558 CA VAL A 71 -41.670 83.250 19.754 1.00 34.90 C ATOM 559 C VAL A 71 -42.785 83.786 18.898 1.00 30.50 C ATOM 560 O VAL A 71 -43.296 83.066 18.057 1.00 32.38 O ATOM 561 CB VAL A 71 -40.317 83.342 19.029 1.00 37.31 C ATOM 562 CG1 VAL A 71 -40.448 82.773 17.646 1.00 43.07 C ATOM 563 CG2 VAL A 71 -39.874 84.773 18.890 1.00 38.53 C ATOM 0 H VAL A 71 -41.751 81.310 19.464 1.00 38.89 H new ATOM 0 HA VAL A 71 -41.602 83.779 20.564 1.00 34.90 H new ATOM 0 HB VAL A 71 -39.667 82.847 19.553 1.00 37.31 H new ATOM 0 HG11 VAL A 71 -39.594 82.832 17.190 1.00 43.07 H new ATOM 0 HG12 VAL A 71 -40.721 81.844 17.703 1.00 43.07 H new ATOM 0 HG13 VAL A 71 -41.114 83.275 17.151 1.00 43.07 H new ATOM 0 HG21 VAL A 71 -39.020 84.804 18.431 1.00 38.53 H new ATOM 0 HG22 VAL A 71 -40.534 85.268 18.380 1.00 38.53 H new ATOM 0 HG23 VAL A 71 -39.782 85.170 19.770 1.00 38.53 H new ATOM 564 N GLN A 72 -43.123 85.050 19.098 1.00 27.04 N ATOM 565 CA GLN A 72 -44.159 85.693 18.374 1.00 28.10 C ATOM 566 C GLN A 72 -43.579 86.467 17.236 1.00 31.59 C ATOM 567 O GLN A 72 -43.134 87.613 17.411 1.00 36.20 O ATOM 568 CB GLN A 72 -44.894 86.698 19.224 1.00 28.51 C ATOM 569 CG GLN A 72 -45.701 86.123 20.347 1.00 30.77 C ATOM 570 CD GLN A 72 -46.434 87.196 21.083 1.00 32.46 C ATOM 571 OE1 GLN A 72 -45.854 88.152 21.554 1.00 38.14 O ATOM 572 NE2 GLN A 72 -47.720 87.058 21.164 1.00 36.62 N ATOM 0 H GLN A 72 -42.737 85.556 19.676 1.00 27.04 H new ATOM 0 HA GLN A 72 -44.762 84.994 18.076 1.00 28.10 H new ATOM 0 HB2 GLN A 72 -44.248 87.319 19.595 1.00 28.51 H new ATOM 0 HB3 GLN A 72 -45.485 87.212 18.652 1.00 28.51 H new ATOM 0 HG2 GLN A 72 -46.333 85.476 19.997 1.00 30.77 H new ATOM 0 HG3 GLN A 72 -45.118 85.647 20.959 1.00 30.77 H new ATOM 0 HE21 GLN A 72 -48.101 86.368 20.820 1.00 36.62 H new ATOM 0 HE22 GLN A 72 -48.192 87.656 21.562 1.00 36.62 H new ATOM 573 N LEU A 73 -43.669 85.889 16.039 1.00 34.14 N ATOM 574 CA LEU A 73 -43.118 86.525 14.858 1.00 30.76 C ATOM 575 C LEU A 73 -43.981 87.711 14.425 1.00 28.44 C ATOM 576 O LEU A 73 -45.138 87.810 14.697 1.00 27.28 O ATOM 577 CB LEU A 73 -42.873 85.488 13.777 1.00 31.52 C ATOM 578 CG LEU A 73 -41.605 84.729 14.220 1.00 34.59 C ATOM 579 CD1 LEU A 73 -41.565 83.283 13.843 1.00 37.48 C ATOM 580 CD2 LEU A 73 -40.387 85.356 13.599 1.00 40.62 C ATOM 0 H LEU A 73 -44.046 85.129 15.895 1.00 34.14 H new ATOM 0 HA LEU A 73 -42.250 86.909 15.059 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -43.629 84.886 13.692 1.00 31.52 H new ATOM 0 HB3 LEU A 73 -42.745 85.908 12.912 1.00 31.52 H new ATOM 0 HG LEU A 73 -41.620 84.788 15.188 1.00 34.59 H new ATOM 0 HD11 LEU A 73 -40.737 82.889 14.160 1.00 37.48 H new ATOM 0 HD12 LEU A 73 -42.317 82.822 14.246 1.00 37.48 H new ATOM 0 HD13 LEU A 73 -41.614 83.199 12.878 1.00 37.48 H new ATOM 0 HD21 LEU A 73 -39.594 84.874 13.882 1.00 40.62 H new ATOM 0 HD22 LEU A 73 -40.460 85.318 12.633 1.00 40.62 H new ATOM 0 HD23 LEU A 73 -40.320 86.282 13.881 1.00 40.62 H new ATOM 581 N PRO A 74 -43.378 88.697 13.856 1.00 28.71 N ATOM 582 CA PRO A 74 -44.184 89.879 13.514 1.00 28.36 C ATOM 583 C PRO A 74 -44.970 89.667 12.254 1.00 28.54 C ATOM 584 O PRO A 74 -44.677 88.766 11.512 1.00 27.53 O ATOM 585 CB PRO A 74 -43.123 90.949 13.304 1.00 28.89 C ATOM 586 CG PRO A 74 -41.823 90.222 13.162 1.00 28.53 C ATOM 587 CD PRO A 74 -41.936 88.971 13.950 1.00 28.53 C ATOM 0 HA PRO A 74 -44.841 90.099 14.193 1.00 28.36 H new ATOM 0 HB2 PRO A 74 -43.314 91.476 12.512 1.00 28.89 H new ATOM 0 HB3 PRO A 74 -43.097 91.563 14.054 1.00 28.89 H new ATOM 0 HG2 PRO A 74 -41.640 90.025 12.230 1.00 28.53 H new ATOM 0 HG3 PRO A 74 -41.088 90.766 13.486 1.00 28.53 H new ATOM 0 HD2 PRO A 74 -41.402 88.253 13.574 1.00 28.53 H new ATOM 0 HD3 PRO A 74 -41.646 89.090 14.868 1.00 28.53 H new ATOM 588 N GLU A 75 -45.955 90.502 12.000 1.00 32.89 N ATOM 589 CA GLU A 75 -46.800 90.336 10.806 1.00 37.00 C ATOM 590 C GLU A 75 -46.039 90.553 9.516 1.00 34.80 C ATOM 591 O GLU A 75 -45.114 91.352 9.496 1.00 35.75 O ATOM 592 CB GLU A 75 -47.957 91.325 10.840 1.00 41.26 C ATOM 593 CG GLU A 75 -48.978 90.997 11.923 1.00 56.23 C ATOM 594 CD GLU A 75 -50.154 91.960 11.944 1.00 68.30 C ATOM 595 OE1 GLU A 75 -50.577 92.397 10.822 1.00 69.74 O ATOM 596 OE2 GLU A 75 -50.656 92.233 13.082 1.00 68.97 O ATOM 0 H GLU A 75 -46.161 91.173 12.496 1.00 32.89 H new ATOM 0 HA GLU A 75 -47.120 89.421 10.825 1.00 37.00 H new ATOM 0 HB2 GLU A 75 -47.610 92.219 10.988 1.00 41.26 H new ATOM 0 HB3 GLU A 75 -48.398 91.331 9.976 1.00 41.26 H new ATOM 0 HG2 GLU A 75 -49.308 90.095 11.787 1.00 56.23 H new ATOM 0 HG3 GLU A 75 -48.540 91.011 12.788 1.00 56.23 H new ATOM 597 N LEU A 76 -46.418 89.825 8.453 1.00 34.11 N ATOM 598 CA LEU A 76 -46.116 90.222 7.055 1.00 28.77 C ATOM 599 C LEU A 76 -47.235 91.050 6.496 1.00 27.84 C ATOM 600 O LEU A 76 -48.374 90.935 6.929 1.00 30.54 O ATOM 601 CB LEU A 76 -45.898 89.013 6.184 1.00 27.93 C ATOM 602 CG LEU A 76 -44.575 88.321 6.485 1.00 32.06 C ATOM 603 CD1 LEU A 76 -44.414 86.952 5.841 1.00 32.07 C ATOM 604 CD2 LEU A 76 -43.433 89.229 6.024 1.00 34.66 C ATOM 0 H LEU A 76 -46.857 89.088 8.518 1.00 34.11 H new ATOM 0 HA LEU A 76 -45.301 90.747 7.064 1.00 28.77 H new ATOM 0 HB2 LEU A 76 -46.627 88.386 6.315 1.00 27.93 H new ATOM 0 HB3 LEU A 76 -45.917 89.280 5.252 1.00 27.93 H new ATOM 0 HG LEU A 76 -44.558 88.167 7.443 1.00 32.06 H new ATOM 0 HD11 LEU A 76 -43.550 86.581 6.080 1.00 32.07 H new ATOM 0 HD12 LEU A 76 -45.117 86.362 6.155 1.00 32.07 H new ATOM 0 HD13 LEU A 76 -44.472 87.039 4.877 1.00 32.07 H new ATOM 0 HD21 LEU A 76 -42.583 88.800 6.210 1.00 34.66 H new ATOM 0 HD22 LEU A 76 -43.512 89.390 5.071 1.00 34.66 H new ATOM 0 HD23 LEU A 76 -43.479 90.074 6.499 1.00 34.66 H new ATOM 605 N PRO A 77 -46.945 91.901 5.526 1.00 27.89 N ATOM 606 CA PRO A 77 -47.993 92.660 4.829 1.00 29.32 C ATOM 607 C PRO A 77 -48.889 91.769 3.942 1.00 29.92 C ATOM 608 O PRO A 77 -48.712 90.532 3.890 1.00 24.45 O ATOM 609 CB PRO A 77 -47.199 93.626 3.952 1.00 27.54 C ATOM 610 CG PRO A 77 -46.026 92.840 3.606 1.00 28.09 C ATOM 611 CD PRO A 77 -45.668 92.032 4.842 1.00 29.12 C ATOM 0 HA PRO A 77 -48.598 93.088 5.455 1.00 29.32 H new ATOM 0 HB2 PRO A 77 -47.699 93.895 3.166 1.00 27.54 H new ATOM 0 HB3 PRO A 77 -46.963 94.437 4.429 1.00 27.54 H new ATOM 0 HG2 PRO A 77 -46.211 92.256 2.854 1.00 28.09 H new ATOM 0 HG3 PRO A 77 -45.290 93.415 3.344 1.00 28.09 H new ATOM 0 HD2 PRO A 77 -45.294 91.168 4.610 1.00 29.12 H new ATOM 0 HD3 PRO A 77 -45.011 92.487 5.391 1.00 29.12 H new ATOM 612 N SER A 78 -49.833 92.386 3.229 1.00 33.83 N ATOM 613 CA SER A 78 -50.884 91.549 2.642 1.00 38.65 C ATOM 614 C SER A 78 -50.336 90.594 1.604 1.00 37.36 C ATOM 615 O SER A 78 -49.292 90.824 0.981 1.00 37.34 O ATOM 616 CB SER A 78 -52.046 92.362 2.094 1.00 39.08 C ATOM 617 OG SER A 78 -51.524 93.133 1.090 1.00 43.08 O ATOM 0 H SER A 78 -49.886 93.231 3.079 1.00 33.83 H new ATOM 0 HA SER A 78 -51.238 91.015 3.370 1.00 38.65 H new ATOM 0 HB2 SER A 78 -52.748 91.783 1.758 1.00 39.08 H new ATOM 0 HB3 SER A 78 -52.441 92.914 2.787 1.00 39.08 H new ATOM 0 HG SER A 78 -52.133 93.603 0.752 1.00 43.08 H new ATOM 618 N LYS A 79 -51.057 89.485 1.503 1.00 38.15 N ATOM 619 CA LYS A 79 -50.722 88.388 0.609 1.00 37.98 C ATOM 620 C LYS A 79 -50.786 88.774 -0.872 1.00 33.63 C ATOM 621 O LYS A 79 -51.389 89.777 -1.271 1.00 34.32 O ATOM 622 CB LYS A 79 -51.649 87.180 0.898 1.00 41.85 C ATOM 623 CG LYS A 79 -51.140 86.242 1.993 1.00 46.87 C ATOM 624 CD LYS A 79 -52.037 85.060 2.305 1.00 48.17 C ATOM 625 CE LYS A 79 -53.067 85.390 3.359 1.00 47.20 C ATOM 626 NZ LYS A 79 -53.994 84.249 3.525 1.00 43.93 N ATOM 0 H LYS A 79 -51.770 89.347 1.963 1.00 38.15 H new ATOM 0 HA LYS A 79 -49.799 88.147 0.785 1.00 37.98 H new ATOM 0 HB2 LYS A 79 -52.524 87.511 1.152 1.00 41.85 H new ATOM 0 HB3 LYS A 79 -51.765 86.672 0.080 1.00 41.85 H new ATOM 0 HG2 LYS A 79 -50.268 85.907 1.731 1.00 46.87 H new ATOM 0 HG3 LYS A 79 -51.014 86.756 2.806 1.00 46.87 H new ATOM 0 HD2 LYS A 79 -52.486 84.774 1.494 1.00 48.17 H new ATOM 0 HD3 LYS A 79 -51.494 84.315 2.607 1.00 48.17 H new ATOM 0 HE2 LYS A 79 -52.629 85.587 4.202 1.00 47.20 H new ATOM 0 HE3 LYS A 79 -53.561 86.185 3.103 1.00 47.20 H new ATOM 0 HZ1 LYS A 79 -54.600 84.446 4.147 1.00 43.93 H new ATOM 0 HZ2 LYS A 79 -54.405 84.085 2.753 1.00 43.93 H new ATOM 0 HZ3 LYS A 79 -53.536 83.528 3.776 1.00 43.93 H new ATOM 627 N ASN A 80 -50.146 87.971 -1.697 1.00 33.21 N ATOM 628 CA ASN A 80 -50.097 88.260 -3.143 1.00 31.39 C ATOM 629 C ASN A 80 -51.476 88.365 -3.702 1.00 32.43 C ATOM 630 O ASN A 80 -51.739 89.229 -4.524 1.00 30.05 O ATOM 631 CB ASN A 80 -49.395 87.159 -3.885 1.00 28.12 C ATOM 632 CG ASN A 80 -47.904 87.305 -3.862 1.00 26.90 C ATOM 633 OD1 ASN A 80 -47.393 88.349 -3.570 1.00 28.92 O ATOM 634 ND2 ASN A 80 -47.212 86.266 -4.193 1.00 25.44 N ATOM 0 H ASN A 80 -49.732 87.256 -1.457 1.00 33.21 H new ATOM 0 HA ASN A 80 -49.619 89.097 -3.251 1.00 31.39 H new ATOM 0 HB2 ASN A 80 -49.639 86.305 -3.495 1.00 28.12 H new ATOM 0 HB3 ASN A 80 -49.701 87.148 -4.805 1.00 28.12 H new ATOM 0 HD21 ASN A 80 -46.353 86.309 -4.209 1.00 25.44 H new ATOM 0 HD22 ASN A 80 -47.610 85.531 -4.397 1.00 25.44 H new ATOM 635 N LEU A 81 -52.368 87.481 -3.248 1.00 33.97 N ATOM 636 CA LEU A 81 -53.751 87.483 -3.748 1.00 34.30 C ATOM 637 C LEU A 81 -54.351 88.850 -3.733 1.00 31.81 C ATOM 638 O LEU A 81 -55.224 89.124 -4.515 1.00 30.76 O ATOM 639 CB LEU A 81 -54.661 86.617 -2.909 1.00 39.22 C ATOM 640 CG LEU A 81 -55.508 85.618 -3.664 1.00 42.99 C ATOM 641 CD1 LEU A 81 -56.127 84.624 -2.700 1.00 43.50 C ATOM 642 CD2 LEU A 81 -56.553 86.368 -4.446 1.00 45.22 C ATOM 0 H LEU A 81 -52.198 86.878 -2.658 1.00 33.97 H new ATOM 0 HA LEU A 81 -53.687 87.142 -4.654 1.00 34.30 H new ATOM 0 HB2 LEU A 81 -54.117 86.134 -2.268 1.00 39.22 H new ATOM 0 HB3 LEU A 81 -55.251 87.196 -2.401 1.00 39.22 H new ATOM 0 HG LEU A 81 -54.962 85.110 -4.284 1.00 42.99 H new ATOM 0 HD11 LEU A 81 -56.668 83.988 -3.194 1.00 43.50 H new ATOM 0 HD12 LEU A 81 -55.424 84.151 -2.227 1.00 43.50 H new ATOM 0 HD13 LEU A 81 -56.685 85.096 -2.062 1.00 43.50 H new ATOM 0 HD21 LEU A 81 -57.105 85.738 -4.936 1.00 45.22 H new ATOM 0 HD22 LEU A 81 -57.109 86.878 -3.837 1.00 45.22 H new ATOM 0 HD23 LEU A 81 -56.120 86.971 -5.070 1.00 45.22 H new ATOM 643 N PHE A 82 -53.894 89.708 -2.815 1.00 33.21 N ATOM 644 CA PHE A 82 -54.441 91.054 -2.662 1.00 32.33 C ATOM 645 C PHE A 82 -53.509 92.169 -3.056 1.00 31.61 C ATOM 646 O PHE A 82 -53.734 93.336 -2.736 1.00 35.58 O ATOM 647 CB PHE A 82 -54.869 91.223 -1.251 1.00 32.30 C ATOM 648 CG PHE A 82 -55.774 90.133 -0.790 1.00 33.36 C ATOM 649 CD1 PHE A 82 -57.123 90.161 -1.135 1.00 33.62 C ATOM 650 CD2 PHE A 82 -55.292 89.071 -0.031 1.00 33.37 C ATOM 651 CE1 PHE A 82 -57.981 89.173 -0.708 1.00 32.17 C ATOM 652 CE2 PHE A 82 -56.148 88.062 0.388 1.00 32.70 C ATOM 653 CZ PHE A 82 -57.484 88.108 0.038 1.00 33.28 C ATOM 0 H PHE A 82 -53.259 89.523 -2.266 1.00 33.21 H new ATOM 0 HA PHE A 82 -55.186 91.125 -3.279 1.00 32.33 H new ATOM 0 HB2 PHE A 82 -54.085 91.250 -0.680 1.00 32.30 H new ATOM 0 HB3 PHE A 82 -55.321 92.076 -1.154 1.00 32.30 H new ATOM 0 HD1 PHE A 82 -57.448 90.856 -1.660 1.00 33.62 H new ATOM 0 HD2 PHE A 82 -54.391 89.037 0.197 1.00 33.37 H new ATOM 0 HE1 PHE A 82 -58.886 89.217 -0.916 1.00 32.17 H new ATOM 0 HE2 PHE A 82 -55.824 87.358 0.902 1.00 32.70 H new ATOM 0 HZ PHE A 82 -58.055 87.423 0.303 1.00 33.28 H new ATOM 654 N PHE A 83 -52.499 91.777 -3.802 1.00 31.19 N ATOM 655 CA PHE A 83 -51.488 92.632 -4.328 1.00 33.47 C ATOM 656 C PHE A 83 -51.487 92.837 -5.881 1.00 36.56 C ATOM 657 O PHE A 83 -51.476 91.887 -6.696 1.00 33.60 O ATOM 658 CB PHE A 83 -50.135 92.088 -3.866 1.00 35.90 C ATOM 659 CG PHE A 83 -48.968 92.952 -4.251 1.00 38.24 C ATOM 660 CD1 PHE A 83 -48.556 93.970 -3.416 1.00 38.50 C ATOM 661 CD2 PHE A 83 -48.302 92.759 -5.460 1.00 38.95 C ATOM 662 CE1 PHE A 83 -47.501 94.777 -3.752 1.00 40.56 C ATOM 663 CE2 PHE A 83 -47.260 93.583 -5.815 1.00 41.55 C ATOM 664 CZ PHE A 83 -46.850 94.591 -4.955 1.00 41.83 C ATOM 0 H PHE A 83 -52.386 90.954 -4.023 1.00 31.19 H new ATOM 0 HA PHE A 83 -51.677 93.519 -3.984 1.00 33.47 H new ATOM 0 HB2 PHE A 83 -50.148 91.989 -2.901 1.00 35.90 H new ATOM 0 HB3 PHE A 83 -50.008 91.202 -4.240 1.00 35.90 H new ATOM 0 HD1 PHE A 83 -49.002 94.111 -2.612 1.00 38.50 H new ATOM 0 HD2 PHE A 83 -48.563 92.071 -6.028 1.00 38.95 H new ATOM 0 HE1 PHE A 83 -47.224 95.448 -3.171 1.00 40.56 H new ATOM 0 HE2 PHE A 83 -46.830 93.464 -6.631 1.00 41.55 H new ATOM 0 HZ PHE A 83 -46.137 95.141 -5.189 1.00 41.83 H new ATOM 665 N ASN A 84 -51.424 94.112 -6.253 1.00 38.77 N ATOM 666 CA ASN A 84 -51.453 94.560 -7.613 1.00 38.15 C ATOM 667 C ASN A 84 -50.319 95.559 -7.837 1.00 39.14 C ATOM 668 O ASN A 84 -50.411 96.717 -7.382 1.00 33.47 O ATOM 669 CB ASN A 84 -52.763 95.275 -7.928 1.00 37.93 C ATOM 670 CG ASN A 84 -52.756 95.914 -9.350 1.00 39.40 C ATOM 671 OD1 ASN A 84 -51.875 95.653 -10.198 1.00 41.74 O ATOM 672 ND2 ASN A 84 -53.728 96.753 -9.598 1.00 34.64 N ATOM 0 H ASN A 84 -51.361 94.756 -5.687 1.00 38.77 H new ATOM 0 HA ASN A 84 -51.361 93.783 -8.186 1.00 38.15 H new ATOM 0 HB2 ASN A 84 -53.498 94.645 -7.862 1.00 37.93 H new ATOM 0 HB3 ASN A 84 -52.920 95.966 -7.265 1.00 37.93 H new ATOM 0 HD21 ASN A 84 -53.774 97.144 -10.363 1.00 34.64 H new ATOM 0 HD22 ASN A 84 -54.321 96.914 -8.996 1.00 34.64 H new ATOM 673 N MET A 85 -49.301 95.153 -8.601 1.00 36.13 N ATOM 674 CA MET A 85 -48.193 96.051 -8.842 1.00 35.47 C ATOM 675 C MET A 85 -48.557 97.379 -9.533 1.00 36.45 C ATOM 676 O MET A 85 -47.750 98.265 -9.560 1.00 38.80 O ATOM 677 CB MET A 85 -47.087 95.379 -9.597 1.00 33.92 C ATOM 678 CG MET A 85 -45.833 96.219 -9.779 1.00 35.33 C ATOM 679 SD MET A 85 -44.464 95.101 -10.165 1.00 40.64 S ATOM 680 CE MET A 85 -43.157 96.262 -10.599 1.00 46.05 C ATOM 0 H MET A 85 -49.241 94.381 -8.976 1.00 36.13 H new ATOM 0 HA MET A 85 -47.893 96.286 -7.950 1.00 35.47 H new ATOM 0 HB2 MET A 85 -46.848 94.561 -9.134 1.00 33.92 H new ATOM 0 HB3 MET A 85 -47.419 95.123 -10.472 1.00 33.92 H new ATOM 0 HG2 MET A 85 -45.957 96.863 -10.494 1.00 35.33 H new ATOM 0 HG3 MET A 85 -45.642 96.723 -8.973 1.00 35.33 H new ATOM 0 HE1 MET A 85 -42.295 95.879 -10.373 1.00 46.05 H new ATOM 0 HE2 MET A 85 -43.190 96.445 -11.551 1.00 46.05 H new ATOM 0 HE3 MET A 85 -43.282 97.089 -10.107 1.00 46.05 H new ATOM 681 N ASN A 86 -49.764 97.571 -10.032 1.00 37.16 N ATOM 682 CA ASN A 86 -50.058 98.844 -10.675 1.00 37.61 C ATOM 683 C ASN A 86 -50.636 99.795 -9.695 1.00 41.32 C ATOM 684 O ASN A 86 -50.947 100.921 -10.024 1.00 46.03 O ATOM 685 CB ASN A 86 -51.029 98.673 -11.835 1.00 38.77 C ATOM 686 CG ASN A 86 -50.406 97.954 -13.010 1.00 38.74 C ATOM 687 OD1 ASN A 86 -50.909 96.927 -13.458 1.00 38.95 O ATOM 688 ND2 ASN A 86 -49.300 98.482 -13.507 1.00 37.28 N ATOM 0 H ASN A 86 -50.409 97.002 -10.013 1.00 37.16 H new ATOM 0 HA ASN A 86 -49.222 99.194 -11.020 1.00 37.61 H new ATOM 0 HB2 ASN A 86 -51.806 98.178 -11.532 1.00 38.77 H new ATOM 0 HB3 ASN A 86 -51.342 99.545 -12.122 1.00 38.77 H new ATOM 0 HD21 ASN A 86 -48.904 98.105 -14.170 1.00 37.28 H new ATOM 0 HD22 ASN A 86 -48.977 99.203 -13.167 1.00 37.28 H new ATOM 689 N ASN A 87 -50.801 99.351 -8.468 1.00 46.27 N ATOM 690 CA ASN A 87 -51.322 100.218 -7.456 1.00 44.92 C ATOM 691 C ASN A 87 -50.100 100.622 -6.667 1.00 48.39 C ATOM 692 O ASN A 87 -49.555 99.810 -5.962 1.00 42.23 O ATOM 693 CB ASN A 87 -52.306 99.433 -6.629 1.00 44.33 C ATOM 694 CG ASN A 87 -52.932 100.252 -5.542 1.00 45.86 C ATOM 695 OD1 ASN A 87 -52.338 101.197 -5.023 1.00 53.16 O ATOM 696 ND2 ASN A 87 -54.126 99.869 -5.155 1.00 47.82 N ATOM 0 H ASN A 87 -50.617 98.553 -8.206 1.00 46.27 H new ATOM 0 HA ASN A 87 -51.794 100.998 -7.787 1.00 44.92 H new ATOM 0 HB2 ASN A 87 -53.002 99.084 -7.207 1.00 44.33 H new ATOM 0 HB3 ASN A 87 -51.855 98.670 -6.235 1.00 44.33 H new ATOM 0 HD21 ASN A 87 -54.524 100.283 -4.515 1.00 47.82 H new ATOM 0 HD22 ASN A 87 -54.510 99.204 -5.541 1.00 47.82 H new ATOM 697 N ARG A 88 -49.633 101.862 -6.817 1.00 56.27 N ATOM 698 CA ARG A 88 -48.443 102.340 -6.067 1.00 58.72 C ATOM 699 C ARG A 88 -48.593 102.080 -4.567 1.00 54.16 C ATOM 700 O ARG A 88 -47.699 101.535 -3.889 1.00 52.16 O ATOM 701 CB ARG A 88 -48.157 103.822 -6.323 1.00 65.76 C ATOM 702 CG ARG A 88 -47.334 104.092 -7.572 1.00 76.77 C ATOM 703 CD ARG A 88 -47.397 105.573 -8.000 1.00 90.96 C ATOM 704 NE ARG A 88 -47.575 105.722 -9.455 1.00100.56 N ATOM 705 CZ ARG A 88 -46.594 105.760 -10.370 1.00 99.28 C ATOM 706 NH1 ARG A 88 -45.307 105.639 -10.033 1.00 98.94 N ATOM 707 NH2 ARG A 88 -46.911 105.911 -11.652 1.00 92.36 N ATOM 0 H ARG A 88 -49.981 102.447 -7.343 1.00 56.27 H new ATOM 0 HA ARG A 88 -47.684 101.833 -6.396 1.00 58.72 H new ATOM 0 HB2 ARG A 88 -49.000 104.296 -6.395 1.00 65.76 H new ATOM 0 HB3 ARG A 88 -47.691 104.188 -5.555 1.00 65.76 H new ATOM 0 HG2 ARG A 88 -46.411 103.843 -7.410 1.00 76.77 H new ATOM 0 HG3 ARG A 88 -47.656 103.533 -8.297 1.00 76.77 H new ATOM 0 HD2 ARG A 88 -48.130 106.011 -7.539 1.00 90.96 H new ATOM 0 HD3 ARG A 88 -46.582 106.022 -7.727 1.00 90.96 H new ATOM 0 HE ARG A 88 -48.382 105.791 -9.745 1.00100.56 H new ATOM 0 HH11 ARG A 88 -45.087 105.533 -9.209 1.00 98.94 H new ATOM 0 HH12 ARG A 88 -44.699 105.667 -10.641 1.00 98.94 H new ATOM 0 HH21 ARG A 88 -47.736 105.983 -11.885 1.00 92.36 H new ATOM 0 HH22 ARG A 88 -46.292 105.937 -12.248 1.00 92.36 H new ATOM 708 N GLN A 89 -49.760 102.400 -4.055 1.00 47.54 N ATOM 709 CA GLN A 89 -49.930 102.273 -2.652 1.00 49.62 C ATOM 710 C GLN A 89 -49.698 100.812 -2.209 1.00 48.27 C ATOM 711 O GLN A 89 -49.195 100.546 -1.121 1.00 46.53 O ATOM 712 CB GLN A 89 -51.301 102.759 -2.303 1.00 57.20 C ATOM 713 CG GLN A 89 -51.351 103.644 -1.079 1.00 71.99 C ATOM 714 CD GLN A 89 -52.784 103.860 -0.608 1.00 84.62 C ATOM 715 OE1 GLN A 89 -53.670 104.214 -1.403 1.00 81.31 O ATOM 716 NE2 GLN A 89 -53.021 103.653 0.691 1.00 83.67 N ATOM 0 H GLN A 89 -50.442 102.684 -4.495 1.00 47.54 H new ATOM 0 HA GLN A 89 -49.276 102.811 -2.178 1.00 49.62 H new ATOM 0 HB2 GLN A 89 -51.662 103.248 -3.059 1.00 57.20 H new ATOM 0 HB3 GLN A 89 -51.878 101.993 -2.160 1.00 57.20 H new ATOM 0 HG2 GLN A 89 -50.831 103.242 -0.365 1.00 71.99 H new ATOM 0 HG3 GLN A 89 -50.942 104.500 -1.280 1.00 71.99 H new ATOM 0 HE21 GLN A 89 -52.381 103.408 1.211 1.00 83.67 H new ATOM 0 HE22 GLN A 89 -53.813 103.765 1.007 1.00 83.67 H new ATOM 717 N HIS A 90 -50.043 99.858 -3.056 1.00 46.68 N ATOM 718 CA HIS A 90 -49.759 98.470 -2.740 1.00 44.41 C ATOM 719 C HIS A 90 -48.295 98.205 -2.628 1.00 44.19 C ATOM 720 O HIS A 90 -47.867 97.531 -1.692 1.00 43.69 O ATOM 721 CB HIS A 90 -50.317 97.560 -3.806 1.00 42.99 C ATOM 722 CG HIS A 90 -51.768 97.297 -3.627 1.00 45.53 C ATOM 723 ND1 HIS A 90 -52.418 96.253 -4.249 1.00 41.95 N ATOM 724 CD2 HIS A 90 -52.696 97.934 -2.872 1.00 42.45 C ATOM 725 CE1 HIS A 90 -53.686 96.269 -3.894 1.00 43.67 C ATOM 726 NE2 HIS A 90 -53.880 97.276 -3.059 1.00 43.88 N ATOM 0 H HIS A 90 -50.437 99.989 -3.809 1.00 46.68 H new ATOM 0 HA HIS A 90 -50.178 98.293 -1.883 1.00 44.41 H new ATOM 0 HB2 HIS A 90 -50.169 97.959 -4.678 1.00 42.99 H new ATOM 0 HB3 HIS A 90 -49.835 96.718 -3.794 1.00 42.99 H new ATOM 0 HD2 HIS A 90 -52.555 98.677 -2.330 1.00 42.45 H new ATOM 0 HE1 HIS A 90 -54.337 95.671 -4.183 1.00 43.67 H new ATOM 0 HE2 HIS A 90 -54.630 97.484 -2.693 1.00 43.88 H new ATOM 727 N VAL A 91 -47.527 98.709 -3.592 1.00 40.62 N ATOM 728 CA VAL A 91 -46.143 98.305 -3.651 1.00 39.55 C ATOM 729 C VAL A 91 -45.421 98.958 -2.503 1.00 41.83 C ATOM 730 O VAL A 91 -44.480 98.385 -1.957 1.00 40.35 O ATOM 731 CB VAL A 91 -45.430 98.508 -5.032 1.00 36.84 C ATOM 732 CG1 VAL A 91 -46.393 98.401 -6.190 1.00 35.58 C ATOM 733 CG2 VAL A 91 -44.651 99.789 -5.110 1.00 37.83 C ATOM 0 H VAL A 91 -47.783 99.265 -4.196 1.00 40.62 H new ATOM 0 HA VAL A 91 -46.115 97.339 -3.562 1.00 39.55 H new ATOM 0 HB VAL A 91 -44.791 97.781 -5.101 1.00 36.84 H new ATOM 0 HG11 VAL A 91 -45.914 98.532 -7.023 1.00 35.58 H new ATOM 0 HG12 VAL A 91 -46.804 97.522 -6.189 1.00 35.58 H new ATOM 0 HG13 VAL A 91 -47.081 99.079 -6.103 1.00 35.58 H new ATOM 0 HG21 VAL A 91 -44.233 99.861 -5.982 1.00 37.83 H new ATOM 0 HG22 VAL A 91 -45.249 100.541 -4.975 1.00 37.83 H new ATOM 0 HG23 VAL A 91 -43.966 99.794 -4.423 1.00 37.83 H new ATOM 734 N ASP A 92 -45.870 100.154 -2.132 1.00 44.18 N ATOM 735 CA ASP A 92 -45.230 100.839 -1.058 1.00 46.47 C ATOM 736 C ASP A 92 -45.575 100.234 0.284 1.00 41.21 C ATOM 737 O ASP A 92 -44.697 100.056 1.131 1.00 41.26 O ATOM 738 CB ASP A 92 -45.535 102.334 -1.050 1.00 56.28 C ATOM 739 CG ASP A 92 -44.426 103.115 -0.348 1.00 63.30 C ATOM 740 OD1 ASP A 92 -43.302 103.131 -0.892 1.00 67.15 O ATOM 741 OD2 ASP A 92 -44.631 103.600 0.782 1.00 66.60 O ATOM 0 H ASP A 92 -46.533 100.567 -2.492 1.00 44.18 H new ATOM 0 HA ASP A 92 -44.278 100.731 -1.209 1.00 46.47 H new ATOM 0 HB2 ASP A 92 -45.633 102.652 -1.961 1.00 56.28 H new ATOM 0 HB3 ASP A 92 -46.381 102.493 -0.602 1.00 56.28 H new ATOM 742 N GLN A 93 -46.843 99.926 0.480 1.00 37.86 N ATOM 743 CA GLN A 93 -47.253 99.275 1.699 1.00 37.81 C ATOM 744 C GLN A 93 -46.502 97.993 1.905 1.00 37.19 C ATOM 745 O GLN A 93 -46.127 97.678 3.008 1.00 43.56 O ATOM 746 CB GLN A 93 -48.721 98.969 1.664 1.00 43.83 C ATOM 747 CG GLN A 93 -49.528 99.972 2.431 1.00 54.40 C ATOM 748 CD GLN A 93 -50.917 100.072 1.890 1.00 66.97 C ATOM 749 OE1 GLN A 93 -51.667 99.087 1.875 1.00 77.22 O ATOM 750 NE2 GLN A 93 -51.270 101.254 1.399 1.00 76.44 N ATOM 0 H GLN A 93 -47.477 100.085 -0.079 1.00 37.86 H new ATOM 0 HA GLN A 93 -47.059 99.882 2.430 1.00 37.81 H new ATOM 0 HB2 GLN A 93 -49.024 98.950 0.743 1.00 43.83 H new ATOM 0 HB3 GLN A 93 -48.874 98.084 2.031 1.00 43.83 H new ATOM 0 HG2 GLN A 93 -49.560 99.718 3.367 1.00 54.40 H new ATOM 0 HG3 GLN A 93 -49.097 100.840 2.387 1.00 54.40 H new ATOM 0 HE21 GLN A 93 -50.719 101.914 1.429 1.00 76.44 H new ATOM 0 HE22 GLN A 93 -52.049 101.360 1.051 1.00 76.44 H new ATOM 751 N ARG A 94 -46.311 97.232 0.844 1.00 37.30 N ATOM 752 CA ARG A 94 -45.575 95.997 0.922 1.00 39.22 C ATOM 753 C ARG A 94 -44.158 96.260 1.338 1.00 37.41 C ATOM 754 O ARG A 94 -43.622 95.533 2.175 1.00 36.17 O ATOM 755 CB ARG A 94 -45.604 95.260 -0.424 1.00 42.97 C ATOM 756 CG ARG A 94 -45.200 93.795 -0.376 1.00 44.59 C ATOM 757 CD ARG A 94 -44.831 93.206 -1.730 1.00 47.87 C ATOM 758 NE ARG A 94 -45.238 91.793 -2.016 1.00 47.81 N ATOM 759 CZ ARG A 94 -46.474 91.326 -1.981 1.00 44.59 C ATOM 760 NH1 ARG A 94 -47.480 92.082 -1.611 1.00 48.25 N ATOM 761 NH2 ARG A 94 -46.702 90.072 -2.253 1.00 45.22 N ATOM 0 H ARG A 94 -46.606 97.420 0.059 1.00 37.30 H new ATOM 0 HA ARG A 94 -45.998 95.433 1.589 1.00 39.22 H new ATOM 0 HB2 ARG A 94 -46.501 95.320 -0.789 1.00 42.97 H new ATOM 0 HB3 ARG A 94 -45.015 95.722 -1.041 1.00 42.97 H new ATOM 0 HG2 ARG A 94 -44.445 93.698 0.225 1.00 44.59 H new ATOM 0 HG3 ARG A 94 -45.931 93.280 0.001 1.00 44.59 H new ATOM 0 HD2 ARG A 94 -45.219 93.772 -2.416 1.00 47.87 H new ATOM 0 HD3 ARG A 94 -43.868 93.263 -1.826 1.00 47.87 H new ATOM 0 HE ARG A 94 -44.614 91.238 -2.221 1.00 47.81 H new ATOM 0 HH11 ARG A 94 -47.343 92.900 -1.385 1.00 48.25 H new ATOM 0 HH12 ARG A 94 -48.277 91.759 -1.595 1.00 48.25 H new ATOM 0 HH21 ARG A 94 -46.049 89.550 -2.455 1.00 45.22 H new ATOM 0 HH22 ARG A 94 -47.506 89.766 -2.231 1.00 45.22 H new ATOM 762 N ARG A 95 -43.524 97.289 0.768 1.00 38.60 N ATOM 763 CA ARG A 95 -42.145 97.489 1.141 1.00 37.50 C ATOM 764 C ARG A 95 -42.050 97.894 2.588 1.00 35.03 C ATOM 765 O ARG A 95 -41.259 97.297 3.321 1.00 32.29 O ATOM 766 CB ARG A 95 -41.342 98.367 0.201 1.00 36.04 C ATOM 767 CG ARG A 95 -41.646 99.832 0.168 1.00 38.38 C ATOM 768 CD ARG A 95 -40.359 100.645 -0.039 1.00 40.79 C ATOM 769 NE ARG A 95 -39.723 100.820 1.260 1.00 46.98 N ATOM 770 CZ ARG A 95 -40.167 101.674 2.186 1.00 47.41 C ATOM 771 NH1 ARG A 95 -41.209 102.466 1.920 1.00 47.73 N ATOM 772 NH2 ARG A 95 -39.596 101.704 3.381 1.00 47.26 N ATOM 0 H ARG A 95 -43.856 97.844 0.201 1.00 38.60 H new ATOM 0 HA ARG A 95 -41.705 96.630 1.041 1.00 37.50 H new ATOM 0 HB2 ARG A 95 -40.405 98.264 0.428 1.00 36.04 H new ATOM 0 HB3 ARG A 95 -41.456 98.021 -0.698 1.00 36.04 H new ATOM 0 HG2 ARG A 95 -42.273 100.022 -0.547 1.00 38.38 H new ATOM 0 HG3 ARG A 95 -42.073 100.098 0.997 1.00 38.38 H new ATOM 0 HD2 ARG A 95 -39.762 100.185 -0.650 1.00 40.79 H new ATOM 0 HD3 ARG A 95 -40.562 101.506 -0.436 1.00 40.79 H new ATOM 0 HE ARG A 95 -39.026 100.349 1.440 1.00 46.98 H new ATOM 0 HH11 ARG A 95 -41.594 102.426 1.152 1.00 47.73 H new ATOM 0 HH12 ARG A 95 -41.495 103.016 2.517 1.00 47.73 H new ATOM 0 HH21 ARG A 95 -38.942 101.175 3.558 1.00 47.26 H new ATOM 0 HH22 ARG A 95 -39.880 102.253 3.979 1.00 47.26 H new ATOM 773 N GLN A 96 -42.912 98.810 3.021 1.00 33.77 N ATOM 774 CA GLN A 96 -42.912 99.208 4.414 1.00 36.58 C ATOM 775 C GLN A 96 -43.068 97.984 5.319 1.00 33.97 C ATOM 776 O GLN A 96 -42.269 97.740 6.202 1.00 32.97 O ATOM 777 CB GLN A 96 -43.999 100.206 4.687 1.00 41.95 C ATOM 778 CG GLN A 96 -43.926 100.825 6.076 1.00 56.48 C ATOM 779 CD GLN A 96 -42.648 101.634 6.363 1.00 71.57 C ATOM 780 OE1 GLN A 96 -42.577 102.843 6.066 1.00 86.41 O ATOM 781 NE2 GLN A 96 -41.649 100.980 6.976 1.00 71.36 N ATOM 0 H GLN A 96 -43.495 99.205 2.528 1.00 33.77 H new ATOM 0 HA GLN A 96 -42.060 99.630 4.608 1.00 36.58 H new ATOM 0 HB2 GLN A 96 -43.953 100.912 4.024 1.00 41.95 H new ATOM 0 HB3 GLN A 96 -44.860 99.772 4.580 1.00 41.95 H new ATOM 0 HG2 GLN A 96 -44.694 101.405 6.197 1.00 56.48 H new ATOM 0 HG3 GLN A 96 -43.999 100.117 6.735 1.00 56.48 H new ATOM 0 HE21 GLN A 96 -41.734 100.145 7.165 1.00 71.36 H new ATOM 0 HE22 GLN A 96 -40.924 101.396 7.179 1.00 71.36 H new ATOM 782 N GLY A 97 -44.053 97.165 5.027 1.00 31.03 N ATOM 783 CA GLY A 97 -44.338 96.018 5.829 1.00 27.53 C ATOM 784 C GLY A 97 -43.195 95.079 5.907 1.00 26.31 C ATOM 785 O GLY A 97 -42.938 94.471 6.944 1.00 27.46 O ATOM 0 H GLY A 97 -44.576 97.265 4.351 1.00 31.03 H new ATOM 0 HA2 GLY A 97 -44.578 96.305 6.724 1.00 27.53 H new ATOM 0 HA3 GLY A 97 -45.108 95.555 5.463 1.00 27.53 H new ATOM 786 N LEU A 98 -42.519 94.893 4.798 1.00 28.07 N ATOM 787 CA LEU A 98 -41.393 93.969 4.814 1.00 30.56 C ATOM 788 C LEU A 98 -40.180 94.550 5.618 1.00 28.99 C ATOM 789 O LEU A 98 -39.429 93.798 6.246 1.00 26.51 O ATOM 790 CB LEU A 98 -41.025 93.617 3.371 1.00 32.96 C ATOM 791 CG LEU A 98 -42.004 92.815 2.504 1.00 34.03 C ATOM 792 CD1 LEU A 98 -41.385 92.645 1.130 1.00 37.15 C ATOM 793 CD2 LEU A 98 -42.224 91.425 3.041 1.00 35.13 C ATOM 0 H LEU A 98 -42.681 95.274 4.044 1.00 28.07 H new ATOM 0 HA LEU A 98 -41.647 93.155 5.277 1.00 30.56 H new ATOM 0 HB2 LEU A 98 -40.845 94.450 2.908 1.00 32.96 H new ATOM 0 HB3 LEU A 98 -40.191 93.122 3.398 1.00 32.96 H new ATOM 0 HG LEU A 98 -42.847 93.295 2.489 1.00 34.03 H new ATOM 0 HD11 LEU A 98 -41.988 92.139 0.563 1.00 37.15 H new ATOM 0 HD12 LEU A 98 -41.227 93.517 0.736 1.00 37.15 H new ATOM 0 HD13 LEU A 98 -40.543 92.170 1.211 1.00 37.15 H new ATOM 0 HD21 LEU A 98 -42.847 90.951 2.468 1.00 35.13 H new ATOM 0 HD22 LEU A 98 -41.379 90.949 3.063 1.00 35.13 H new ATOM 0 HD23 LEU A 98 -42.588 91.478 3.938 1.00 35.13 H new ATOM 794 N GLU A 99 -40.047 95.881 5.638 1.00 27.10 N ATOM 795 CA GLU A 99 -39.084 96.534 6.491 1.00 28.03 C ATOM 796 C GLU A 99 -39.437 96.341 7.946 1.00 28.69 C ATOM 797 O GLU A 99 -38.603 95.877 8.731 1.00 28.76 O ATOM 798 CB GLU A 99 -39.001 98.020 6.209 1.00 32.96 C ATOM 799 CG GLU A 99 -37.557 98.561 6.201 1.00 36.66 C ATOM 800 CD GLU A 99 -37.466 99.999 5.716 1.00 42.27 C ATOM 801 OE1 GLU A 99 -37.026 100.267 4.545 1.00 45.51 O ATOM 802 OE2 GLU A 99 -37.885 100.864 6.512 1.00 46.41 O ATOM 0 H GLU A 99 -40.515 96.417 5.156 1.00 27.10 H new ATOM 0 HA GLU A 99 -38.224 96.127 6.302 1.00 28.03 H new ATOM 0 HB2 GLU A 99 -39.413 98.203 5.350 1.00 32.96 H new ATOM 0 HB3 GLU A 99 -39.515 98.499 6.878 1.00 32.96 H new ATOM 0 HG2 GLU A 99 -37.190 98.503 7.097 1.00 36.66 H new ATOM 0 HG3 GLU A 99 -37.009 97.998 5.633 1.00 36.66 H new ATOM 803 N ASP A 100 -40.690 96.621 8.304 1.00 29.35 N ATOM 804 CA ASP A 100 -41.153 96.453 9.697 1.00 30.54 C ATOM 805 C ASP A 100 -40.931 95.034 10.159 1.00 28.84 C ATOM 806 O ASP A 100 -40.385 94.793 11.228 1.00 28.33 O ATOM 807 CB ASP A 100 -42.610 96.847 9.858 1.00 33.83 C ATOM 808 CG ASP A 100 -42.866 98.325 9.461 1.00 40.51 C ATOM 809 OD1 ASP A 100 -41.865 99.114 9.407 1.00 46.59 O ATOM 810 OD2 ASP A 100 -44.053 98.690 9.168 1.00 45.99 O ATOM 0 H ASP A 100 -41.292 96.909 7.761 1.00 29.35 H new ATOM 0 HA ASP A 100 -40.628 97.049 10.254 1.00 30.54 H new ATOM 0 HB2 ASP A 100 -43.162 96.267 9.311 1.00 33.83 H new ATOM 0 HB3 ASP A 100 -42.880 96.710 10.779 1.00 33.83 H new ATOM 811 N PHE A 101 -41.274 94.095 9.304 1.00 26.09 N ATOM 812 CA PHE A 101 -41.098 92.741 9.644 1.00 25.36 C ATOM 813 C PHE A 101 -39.668 92.477 10.036 1.00 26.88 C ATOM 814 O PHE A 101 -39.381 91.848 11.062 1.00 24.44 O ATOM 815 CB PHE A 101 -41.487 91.865 8.452 1.00 25.73 C ATOM 816 CG PHE A 101 -41.229 90.410 8.690 1.00 23.05 C ATOM 817 CD1 PHE A 101 -42.110 89.671 9.364 1.00 23.46 C ATOM 818 CD2 PHE A 101 -40.076 89.835 8.284 1.00 21.94 C ATOM 819 CE1 PHE A 101 -41.842 88.331 9.628 1.00 26.11 C ATOM 820 CE2 PHE A 101 -39.802 88.516 8.511 1.00 23.29 C ATOM 821 CZ PHE A 101 -40.684 87.745 9.197 1.00 23.96 C ATOM 0 H PHE A 101 -41.609 94.238 8.525 1.00 26.09 H new ATOM 0 HA PHE A 101 -41.665 92.528 10.401 1.00 25.36 H new ATOM 0 HB2 PHE A 101 -42.428 91.994 8.255 1.00 25.73 H new ATOM 0 HB3 PHE A 101 -40.991 92.153 7.669 1.00 25.73 H new ATOM 0 HD1 PHE A 101 -42.906 90.052 9.659 1.00 23.46 H new ATOM 0 HD2 PHE A 101 -39.448 90.354 7.835 1.00 21.94 H new ATOM 0 HE1 PHE A 101 -42.460 87.826 10.105 1.00 26.11 H new ATOM 0 HE2 PHE A 101 -39.010 88.146 8.195 1.00 23.29 H new ATOM 0 HZ PHE A 101 -40.507 86.848 9.368 1.00 23.96 H new ATOM 822 N LEU A 102 -38.732 92.921 9.199 1.00 30.03 N ATOM 823 CA LEU A 102 -37.310 92.562 9.477 1.00 30.63 C ATOM 824 C LEU A 102 -36.752 93.334 10.654 1.00 29.89 C ATOM 825 O LEU A 102 -36.028 92.783 11.460 1.00 30.02 O ATOM 826 CB LEU A 102 -36.440 92.799 8.280 1.00 27.64 C ATOM 827 CG LEU A 102 -36.752 91.884 7.138 1.00 26.30 C ATOM 828 CD1 LEU A 102 -36.018 92.395 5.926 1.00 27.46 C ATOM 829 CD2 LEU A 102 -36.357 90.463 7.427 1.00 25.94 C ATOM 0 H LEU A 102 -38.870 93.404 8.501 1.00 30.03 H new ATOM 0 HA LEU A 102 -37.306 91.616 9.693 1.00 30.63 H new ATOM 0 HB2 LEU A 102 -36.544 93.718 7.988 1.00 27.64 H new ATOM 0 HB3 LEU A 102 -35.511 92.685 8.534 1.00 27.64 H new ATOM 0 HG LEU A 102 -37.710 91.879 6.987 1.00 26.30 H new ATOM 0 HD11 LEU A 102 -36.203 91.818 5.168 1.00 27.46 H new ATOM 0 HD12 LEU A 102 -36.313 93.297 5.725 1.00 27.46 H new ATOM 0 HD13 LEU A 102 -35.064 92.399 6.103 1.00 27.46 H new ATOM 0 HD21 LEU A 102 -36.575 89.905 6.664 1.00 25.94 H new ATOM 0 HD22 LEU A 102 -35.403 90.420 7.596 1.00 25.94 H new ATOM 0 HD23 LEU A 102 -36.838 90.146 8.208 1.00 25.94 H new ATOM 830 N ARG A 103 -37.137 94.589 10.765 1.00 28.85 N ATOM 831 CA ARG A 103 -36.727 95.363 11.896 1.00 33.62 C ATOM 832 C ARG A 103 -37.054 94.675 13.205 1.00 35.13 C ATOM 833 O ARG A 103 -36.189 94.532 14.058 1.00 34.65 O ATOM 834 CB ARG A 103 -37.385 96.712 11.856 1.00 39.17 C ATOM 835 CG ARG A 103 -36.549 97.860 12.372 1.00 46.77 C ATOM 836 CD ARG A 103 -36.817 99.137 11.519 1.00 59.09 C ATOM 837 NE ARG A 103 -38.244 99.440 11.230 1.00 64.74 N ATOM 838 CZ ARG A 103 -39.306 99.310 12.069 1.00 67.80 C ATOM 839 NH1 ARG A 103 -39.204 98.878 13.339 1.00 60.52 N ATOM 840 NH2 ARG A 103 -40.528 99.627 11.620 1.00 68.80 N ATOM 0 H ARG A 103 -37.632 95.003 10.197 1.00 28.85 H new ATOM 0 HA ARG A 103 -35.763 95.462 11.848 1.00 33.62 H new ATOM 0 HB2 ARG A 103 -37.639 96.904 10.940 1.00 39.17 H new ATOM 0 HB3 ARG A 103 -38.204 96.670 12.374 1.00 39.17 H new ATOM 0 HG2 ARG A 103 -36.761 98.033 13.303 1.00 46.77 H new ATOM 0 HG3 ARG A 103 -35.608 97.628 12.334 1.00 46.77 H new ATOM 0 HD2 ARG A 103 -36.430 99.898 11.978 1.00 59.09 H new ATOM 0 HD3 ARG A 103 -36.347 99.046 10.675 1.00 59.09 H new ATOM 0 HE ARG A 103 -38.418 99.732 10.440 1.00 64.74 H new ATOM 0 HH11 ARG A 103 -38.435 98.666 13.661 1.00 60.52 H new ATOM 0 HH12 ARG A 103 -39.908 98.814 13.829 1.00 60.52 H new ATOM 0 HH21 ARG A 103 -40.630 99.907 10.813 1.00 68.80 H new ATOM 0 HH22 ARG A 103 -41.210 99.550 12.138 1.00 68.80 H new ATOM 841 N LYS A 104 -38.301 94.226 13.344 1.00 33.12 N ATOM 842 CA LYS A 104 -38.740 93.524 14.531 1.00 29.30 C ATOM 843 C LYS A 104 -38.003 92.234 14.679 1.00 27.60 C ATOM 844 O LYS A 104 -37.487 91.915 15.733 1.00 29.27 O ATOM 845 CB LYS A 104 -40.233 93.293 14.454 1.00 31.82 C ATOM 846 CG LYS A 104 -40.939 94.605 14.772 1.00 37.05 C ATOM 847 CD LYS A 104 -42.249 94.857 14.046 1.00 41.03 C ATOM 848 CE LYS A 104 -43.407 94.590 14.988 1.00 49.55 C ATOM 849 NZ LYS A 104 -44.375 95.712 15.007 1.00 55.70 N ATOM 0 H LYS A 104 -38.912 94.324 12.747 1.00 33.12 H new ATOM 0 HA LYS A 104 -38.547 94.063 15.314 1.00 29.30 H new ATOM 0 HB2 LYS A 104 -40.481 92.982 13.569 1.00 31.82 H new ATOM 0 HB3 LYS A 104 -40.501 92.604 15.083 1.00 31.82 H new ATOM 0 HG2 LYS A 104 -41.109 94.636 15.726 1.00 37.05 H new ATOM 0 HG3 LYS A 104 -40.333 95.334 14.568 1.00 37.05 H new ATOM 0 HD2 LYS A 104 -42.283 95.773 13.727 1.00 41.03 H new ATOM 0 HD3 LYS A 104 -42.314 94.283 13.267 1.00 41.03 H new ATOM 0 HE2 LYS A 104 -43.861 93.776 14.719 1.00 49.55 H new ATOM 0 HE3 LYS A 104 -43.067 94.442 15.884 1.00 49.55 H new ATOM 0 HZ1 LYS A 104 -45.039 95.522 15.568 1.00 55.70 H new ATOM 0 HZ2 LYS A 104 -43.964 96.455 15.275 1.00 55.70 H new ATOM 0 HZ3 LYS A 104 -44.704 95.834 14.189 1.00 55.70 H new ATOM 850 N VAL A 105 -37.915 91.474 13.620 1.00 26.78 N ATOM 851 CA VAL A 105 -37.249 90.197 13.732 1.00 26.99 C ATOM 852 C VAL A 105 -35.864 90.398 14.286 1.00 27.50 C ATOM 853 O VAL A 105 -35.400 89.630 15.115 1.00 26.92 O ATOM 854 CB VAL A 105 -37.117 89.540 12.356 1.00 28.42 C ATOM 855 CG1 VAL A 105 -36.095 88.428 12.376 1.00 26.21 C ATOM 856 CG2 VAL A 105 -38.447 88.982 11.930 1.00 29.88 C ATOM 0 H VAL A 105 -38.224 91.667 12.841 1.00 26.78 H new ATOM 0 HA VAL A 105 -37.774 89.630 14.318 1.00 26.99 H new ATOM 0 HB VAL A 105 -36.823 90.218 11.727 1.00 28.42 H new ATOM 0 HG11 VAL A 105 -36.032 88.030 11.494 1.00 26.21 H new ATOM 0 HG12 VAL A 105 -35.231 88.787 12.631 1.00 26.21 H new ATOM 0 HG13 VAL A 105 -36.365 87.751 13.016 1.00 26.21 H new ATOM 0 HG21 VAL A 105 -38.359 88.567 11.058 1.00 29.88 H new ATOM 0 HG22 VAL A 105 -38.742 88.320 12.575 1.00 29.88 H new ATOM 0 HG23 VAL A 105 -39.099 89.699 11.882 1.00 29.88 H new ATOM 857 N LEU A 106 -35.185 91.429 13.798 1.00 29.95 N ATOM 858 CA LEU A 106 -33.766 91.615 14.110 1.00 33.19 C ATOM 859 C LEU A 106 -33.548 92.100 15.529 1.00 34.22 C ATOM 860 O LEU A 106 -32.454 91.968 16.047 1.00 35.88 O ATOM 861 CB LEU A 106 -33.116 92.617 13.158 1.00 32.45 C ATOM 862 CG LEU A 106 -32.934 92.107 11.747 1.00 30.55 C ATOM 863 CD1 LEU A 106 -32.497 93.206 10.815 1.00 31.63 C ATOM 864 CD2 LEU A 106 -31.942 90.981 11.750 1.00 30.51 C ATOM 0 H LEU A 106 -35.522 92.032 13.286 1.00 29.95 H new ATOM 0 HA LEU A 106 -33.356 90.742 14.007 1.00 33.19 H new ATOM 0 HB2 LEU A 106 -33.658 93.421 13.133 1.00 32.45 H new ATOM 0 HB3 LEU A 106 -32.250 92.870 13.514 1.00 32.45 H new ATOM 0 HG LEU A 106 -33.788 91.781 11.422 1.00 30.55 H new ATOM 0 HD11 LEU A 106 -32.389 92.848 9.920 1.00 31.63 H new ATOM 0 HD12 LEU A 106 -33.168 93.907 10.804 1.00 31.63 H new ATOM 0 HD13 LEU A 106 -31.652 93.572 11.120 1.00 31.63 H new ATOM 0 HD21 LEU A 106 -31.823 90.652 10.845 1.00 30.51 H new ATOM 0 HD22 LEU A 106 -31.092 91.299 12.092 1.00 30.51 H new ATOM 0 HD23 LEU A 106 -32.269 90.263 12.315 1.00 30.51 H new ATOM 865 N GLN A 107 -34.585 92.656 16.150 1.00 32.65 N ATOM 866 CA GLN A 107 -34.554 92.979 17.562 1.00 29.98 C ATOM 867 C GLN A 107 -34.580 91.791 18.479 1.00 28.93 C ATOM 868 O GLN A 107 -34.580 91.983 19.664 1.00 35.99 O ATOM 869 CB GLN A 107 -35.727 93.840 17.924 1.00 31.70 C ATOM 870 CG GLN A 107 -35.649 95.266 17.436 1.00 36.46 C ATOM 871 CD GLN A 107 -36.937 96.021 17.715 1.00 48.95 C ATOM 872 OE1 GLN A 107 -37.753 95.645 18.594 1.00 61.28 O ATOM 873 NE2 GLN A 107 -37.138 97.105 16.978 1.00 57.55 N ATOM 0 H GLN A 107 -35.325 92.855 15.759 1.00 32.65 H new ATOM 0 HA GLN A 107 -33.706 93.433 17.688 1.00 29.98 H new ATOM 0 HB2 GLN A 107 -36.532 93.434 17.566 1.00 31.70 H new ATOM 0 HB3 GLN A 107 -35.819 93.848 18.890 1.00 31.70 H new ATOM 0 HG2 GLN A 107 -34.908 95.717 17.869 1.00 36.46 H new ATOM 0 HG3 GLN A 107 -35.468 95.274 16.483 1.00 36.46 H new ATOM 0 HE21 GLN A 107 -36.560 97.335 16.385 1.00 57.55 H new ATOM 0 HE22 GLN A 107 -37.847 97.578 17.093 1.00 57.55 H new ATOM 874 N ASN A 108 -34.560 90.571 17.975 1.00 27.41 N ATOM 875 CA ASN A 108 -34.706 89.416 18.824 1.00 27.36 C ATOM 876 C ASN A 108 -33.538 88.484 18.719 1.00 28.82 C ATOM 877 O ASN A 108 -33.297 87.827 17.695 1.00 31.26 O ATOM 878 CB ASN A 108 -35.987 88.707 18.424 1.00 29.26 C ATOM 879 CG ASN A 108 -36.232 87.424 19.183 1.00 30.38 C ATOM 880 OD1 ASN A 108 -35.326 86.619 19.427 1.00 36.88 O ATOM 881 ND2 ASN A 108 -37.463 87.239 19.584 1.00 29.34 N ATOM 0 H ASN A 108 -34.462 90.393 17.139 1.00 27.41 H new ATOM 0 HA ASN A 108 -34.743 89.704 19.749 1.00 27.36 H new ATOM 0 HB2 ASN A 108 -36.737 89.306 18.566 1.00 29.26 H new ATOM 0 HB3 ASN A 108 -35.956 88.511 17.474 1.00 29.26 H new ATOM 0 HD21 ASN A 108 -37.667 86.536 20.036 1.00 29.34 H new ATOM 0 HD22 ASN A 108 -38.068 87.820 19.396 1.00 29.34 H new ATOM 882 N ALA A 109 -32.831 88.356 19.806 1.00 30.83 N ATOM 883 CA ALA A 109 -31.576 87.623 19.769 1.00 33.38 C ATOM 884 C ALA A 109 -31.706 86.168 19.455 1.00 34.62 C ATOM 885 O ALA A 109 -30.794 85.571 18.911 1.00 42.47 O ATOM 886 CB ALA A 109 -30.879 87.781 21.102 1.00 34.65 C ATOM 0 H ALA A 109 -33.046 88.678 20.574 1.00 30.83 H new ATOM 0 HA ALA A 109 -31.064 88.005 19.040 1.00 33.38 H new ATOM 0 HB1 ALA A 109 -30.040 87.295 21.088 1.00 34.65 H new ATOM 0 HB2 ALA A 109 -30.705 88.721 21.267 1.00 34.65 H new ATOM 0 HB3 ALA A 109 -31.444 87.428 21.807 1.00 34.65 H new ATOM 887 N LEU A 110 -32.806 85.544 19.842 1.00 35.36 N ATOM 888 CA LEU A 110 -32.934 84.132 19.583 1.00 33.25 C ATOM 889 C LEU A 110 -33.050 83.970 18.063 1.00 34.70 C ATOM 890 O LEU A 110 -32.376 83.125 17.467 1.00 35.17 O ATOM 891 CB LEU A 110 -34.142 83.585 20.304 1.00 33.12 C ATOM 892 CG LEU A 110 -34.450 82.123 20.059 1.00 33.55 C ATOM 893 CD1 LEU A 110 -33.341 81.230 20.552 1.00 32.17 C ATOM 894 CD2 LEU A 110 -35.764 81.713 20.692 1.00 36.80 C ATOM 0 H LEU A 110 -33.471 85.911 20.245 1.00 35.36 H new ATOM 0 HA LEU A 110 -32.168 83.634 19.908 1.00 33.25 H new ATOM 0 HB2 LEU A 110 -34.016 83.716 21.257 1.00 33.12 H new ATOM 0 HB3 LEU A 110 -34.916 84.109 20.046 1.00 33.12 H new ATOM 0 HG LEU A 110 -34.526 82.015 19.098 1.00 33.55 H new ATOM 0 HD11 LEU A 110 -33.571 80.303 20.380 1.00 32.17 H new ATOM 0 HD12 LEU A 110 -32.518 81.450 20.089 1.00 32.17 H new ATOM 0 HD13 LEU A 110 -33.220 81.361 21.505 1.00 32.17 H new ATOM 0 HD21 LEU A 110 -35.929 80.774 20.516 1.00 36.80 H new ATOM 0 HD22 LEU A 110 -35.721 81.859 21.650 1.00 36.80 H new ATOM 0 HD23 LEU A 110 -36.484 82.243 20.316 1.00 36.80 H new ATOM 895 N LEU A 111 -33.849 84.815 17.414 1.00 32.53 N ATOM 896 CA LEU A 111 -33.956 84.739 15.949 1.00 32.92 C ATOM 897 C LEU A 111 -32.615 85.083 15.276 1.00 35.19 C ATOM 898 O LEU A 111 -32.215 84.405 14.324 1.00 34.24 O ATOM 899 CB LEU A 111 -35.031 85.688 15.412 1.00 31.51 C ATOM 900 CG LEU A 111 -36.425 85.470 15.947 1.00 29.64 C ATOM 901 CD1 LEU A 111 -37.362 86.430 15.290 1.00 28.31 C ATOM 902 CD2 LEU A 111 -36.868 84.026 15.730 1.00 29.91 C ATOM 0 H LEU A 111 -34.327 85.425 17.787 1.00 32.53 H new ATOM 0 HA LEU A 111 -34.203 83.825 15.737 1.00 32.92 H new ATOM 0 HB2 LEU A 111 -34.764 86.599 15.613 1.00 31.51 H new ATOM 0 HB3 LEU A 111 -35.057 85.607 14.446 1.00 31.51 H new ATOM 0 HG LEU A 111 -36.431 85.632 16.903 1.00 29.64 H new ATOM 0 HD11 LEU A 111 -38.259 86.292 15.632 1.00 28.31 H new ATOM 0 HD12 LEU A 111 -37.080 87.339 15.480 1.00 28.31 H new ATOM 0 HD13 LEU A 111 -37.356 86.283 14.331 1.00 28.31 H new ATOM 0 HD21 LEU A 111 -37.765 83.906 16.080 1.00 29.91 H new ATOM 0 HD22 LEU A 111 -36.862 83.825 14.781 1.00 29.91 H new ATOM 0 HD23 LEU A 111 -36.259 83.428 16.191 1.00 29.91 H new ATOM 903 N LEU A 112 -31.929 86.123 15.781 1.00 32.90 N ATOM 904 CA LEU A 112 -30.604 86.490 15.256 1.00 31.97 C ATOM 905 C LEU A 112 -29.632 85.333 15.227 1.00 31.16 C ATOM 906 O LEU A 112 -28.607 85.401 14.536 1.00 28.31 O ATOM 907 CB LEU A 112 -29.982 87.615 16.061 1.00 32.16 C ATOM 908 CG LEU A 112 -30.485 88.999 15.673 1.00 33.48 C ATOM 909 CD1 LEU A 112 -30.005 90.057 16.654 1.00 31.58 C ATOM 910 CD2 LEU A 112 -30.015 89.321 14.268 1.00 35.00 C ATOM 0 H LEU A 112 -32.212 86.623 16.421 1.00 32.90 H new ATOM 0 HA LEU A 112 -30.765 86.777 14.343 1.00 31.97 H new ATOM 0 HB2 LEU A 112 -30.163 87.466 17.002 1.00 32.16 H new ATOM 0 HB3 LEU A 112 -29.019 87.587 15.950 1.00 32.16 H new ATOM 0 HG LEU A 112 -31.455 89.000 15.700 1.00 33.48 H new ATOM 0 HD11 LEU A 112 -30.340 90.926 16.382 1.00 31.58 H new ATOM 0 HD12 LEU A 112 -30.333 89.848 17.542 1.00 31.58 H new ATOM 0 HD13 LEU A 112 -29.035 90.073 16.664 1.00 31.58 H new ATOM 0 HD21 LEU A 112 -30.332 90.202 14.014 1.00 35.00 H new ATOM 0 HD22 LEU A 112 -29.046 89.306 14.240 1.00 35.00 H new ATOM 0 HD23 LEU A 112 -30.366 88.661 13.650 1.00 35.00 H new ATOM 911 N SER A 113 -29.970 84.280 15.961 1.00 28.59 N ATOM 912 CA SER A 113 -29.109 83.167 16.097 1.00 32.12 C ATOM 913 C SER A 113 -29.439 82.041 15.116 1.00 32.08 C ATOM 914 O SER A 113 -28.903 80.934 15.224 1.00 29.60 O ATOM 915 CB SER A 113 -29.211 82.671 17.560 1.00 34.18 C ATOM 916 OG SER A 113 -29.975 81.466 17.636 1.00 38.33 O ATOM 0 H SER A 113 -30.713 84.210 16.388 1.00 28.59 H new ATOM 0 HA SER A 113 -28.203 83.441 15.886 1.00 32.12 H new ATOM 0 HB2 SER A 113 -28.322 82.518 17.917 1.00 34.18 H new ATOM 0 HB3 SER A 113 -29.623 83.355 18.110 1.00 34.18 H new ATOM 0 HG SER A 113 -30.794 81.650 17.594 1.00 38.33 H new ATOM 917 N ASP A 114 -30.353 82.305 14.190 1.00 34.36 N ATOM 918 CA ASP A 114 -30.797 81.314 13.215 1.00 35.97 C ATOM 919 C ASP A 114 -30.000 81.562 11.915 1.00 34.55 C ATOM 920 O ASP A 114 -30.153 82.603 11.242 1.00 29.73 O ATOM 921 CB ASP A 114 -32.314 81.484 13.007 1.00 38.49 C ATOM 922 CG ASP A 114 -33.014 80.249 12.372 1.00 45.59 C ATOM 923 OD1 ASP A 114 -32.472 79.637 11.421 1.00 51.41 O ATOM 924 OD2 ASP A 114 -34.164 79.927 12.793 1.00 51.61 O ATOM 0 H ASP A 114 -30.737 83.070 14.108 1.00 34.36 H new ATOM 0 HA ASP A 114 -30.639 80.404 13.511 1.00 35.97 H new ATOM 0 HB2 ASP A 114 -32.728 81.673 13.864 1.00 38.49 H new ATOM 0 HB3 ASP A 114 -32.468 82.257 12.441 1.00 38.49 H new ATOM 925 N SER A 115 -29.182 80.590 11.526 1.00 32.70 N ATOM 926 CA SER A 115 -28.481 80.730 10.241 1.00 32.41 C ATOM 927 C SER A 115 -29.372 80.972 9.029 1.00 32.22 C ATOM 928 O SER A 115 -28.922 81.483 8.005 1.00 36.52 O ATOM 929 CB SER A 115 -27.627 79.534 9.970 1.00 30.44 C ATOM 930 OG SER A 115 -26.942 79.199 11.145 1.00 33.82 O ATOM 0 H SER A 115 -29.019 79.869 11.965 1.00 32.70 H new ATOM 0 HA SER A 115 -27.947 81.532 10.353 1.00 32.41 H new ATOM 0 HB2 SER A 115 -28.174 78.789 9.675 1.00 30.44 H new ATOM 0 HB3 SER A 115 -26.998 79.724 9.256 1.00 30.44 H new ATOM 0 HG SER A 115 -26.459 78.526 11.006 1.00 33.82 H new ATOM 931 N SER A 116 -30.626 80.586 9.125 1.00 34.90 N ATOM 932 CA SER A 116 -31.553 80.782 8.021 1.00 36.89 C ATOM 933 C SER A 116 -31.695 82.245 7.732 1.00 31.03 C ATOM 934 O SER A 116 -31.643 82.671 6.574 1.00 29.40 O ATOM 935 CB SER A 116 -32.925 80.169 8.332 1.00 37.90 C ATOM 936 OG SER A 116 -32.798 78.783 8.600 1.00 44.30 O ATOM 0 H SER A 116 -30.966 80.208 9.819 1.00 34.90 H new ATOM 0 HA SER A 116 -31.195 80.332 7.240 1.00 36.89 H new ATOM 0 HB2 SER A 116 -33.320 80.617 9.096 1.00 37.90 H new ATOM 0 HB3 SER A 116 -33.524 80.306 7.582 1.00 37.90 H new ATOM 0 HG SER A 116 -32.691 78.666 9.425 1.00 44.30 H new ATOM 937 N LEU A 117 -31.825 83.008 8.796 1.00 26.95 N ATOM 938 CA LEU A 117 -32.027 84.445 8.648 1.00 25.52 C ATOM 939 C LEU A 117 -30.801 85.065 8.003 1.00 26.25 C ATOM 940 O LEU A 117 -30.902 85.939 7.149 1.00 23.81 O ATOM 941 CB LEU A 117 -32.232 85.052 10.009 1.00 22.99 C ATOM 942 CG LEU A 117 -32.357 86.544 10.139 1.00 21.97 C ATOM 943 CD1 LEU A 117 -33.393 87.104 9.226 1.00 21.70 C ATOM 944 CD2 LEU A 117 -32.729 86.853 11.587 1.00 23.21 C ATOM 0 H LEU A 117 -31.801 82.725 9.608 1.00 26.95 H new ATOM 0 HA LEU A 117 -32.803 84.611 8.091 1.00 25.52 H new ATOM 0 HB2 LEU A 117 -33.035 84.659 10.386 1.00 22.99 H new ATOM 0 HB3 LEU A 117 -31.490 84.772 10.568 1.00 22.99 H new ATOM 0 HG LEU A 117 -31.513 86.953 9.893 1.00 21.97 H new ATOM 0 HD11 LEU A 117 -33.441 88.066 9.342 1.00 21.70 H new ATOM 0 HD12 LEU A 117 -33.159 86.901 8.307 1.00 21.70 H new ATOM 0 HD13 LEU A 117 -34.255 86.711 9.434 1.00 21.70 H new ATOM 0 HD21 LEU A 117 -32.817 87.812 11.701 1.00 23.21 H new ATOM 0 HD22 LEU A 117 -33.571 86.424 11.804 1.00 23.21 H new ATOM 0 HD23 LEU A 117 -32.035 86.520 12.178 1.00 23.21 H new ATOM 945 N HIS A 118 -29.631 84.572 8.398 1.00 26.75 N ATOM 946 CA HIS A 118 -28.409 85.150 7.915 1.00 28.47 C ATOM 947 C HIS A 118 -28.242 84.908 6.450 1.00 29.40 C ATOM 948 O HIS A 118 -27.995 85.856 5.705 1.00 31.42 O ATOM 949 CB HIS A 118 -27.218 84.662 8.703 1.00 29.68 C ATOM 950 CG HIS A 118 -27.160 85.270 10.055 1.00 30.78 C ATOM 951 ND1 HIS A 118 -26.742 86.559 10.260 1.00 32.90 N ATOM 952 CD2 HIS A 118 -27.533 84.799 11.261 1.00 33.12 C ATOM 953 CE1 HIS A 118 -26.834 86.854 11.541 1.00 32.66 C ATOM 954 NE2 HIS A 118 -27.320 85.804 12.170 1.00 33.54 N ATOM 0 H HIS A 118 -29.534 83.911 8.939 1.00 26.75 H new ATOM 0 HA HIS A 118 -28.463 86.110 8.047 1.00 28.47 H new ATOM 0 HB2 HIS A 118 -27.259 83.696 8.785 1.00 29.68 H new ATOM 0 HB3 HIS A 118 -26.403 84.871 8.220 1.00 29.68 H new ATOM 0 HD2 HIS A 118 -27.871 83.952 11.443 1.00 33.12 H new ATOM 0 HE1 HIS A 118 -26.597 87.663 11.933 1.00 32.66 H new ATOM 0 HE2 HIS A 118 -27.478 85.756 13.014 1.00 33.54 H new ATOM 955 N LEU A 119 -28.378 83.653 6.041 1.00 28.30 N ATOM 956 CA LEU A 119 -28.331 83.299 4.624 1.00 25.92 C ATOM 957 C LEU A 119 -29.434 83.982 3.826 1.00 24.50 C ATOM 958 O LEU A 119 -29.250 84.314 2.662 1.00 23.59 O ATOM 959 CB LEU A 119 -28.475 81.825 4.502 1.00 26.50 C ATOM 960 CG LEU A 119 -27.221 81.143 5.033 1.00 28.98 C ATOM 961 CD1 LEU A 119 -27.459 79.656 5.233 1.00 32.03 C ATOM 962 CD2 LEU A 119 -26.089 81.334 4.057 1.00 30.80 C ATOM 0 H LEU A 119 -28.499 82.986 6.570 1.00 28.30 H new ATOM 0 HA LEU A 119 -27.482 83.599 4.262 1.00 25.92 H new ATOM 0 HB2 LEU A 119 -29.252 81.525 4.998 1.00 26.50 H new ATOM 0 HB3 LEU A 119 -28.619 81.581 3.574 1.00 26.50 H new ATOM 0 HG LEU A 119 -26.995 81.543 5.888 1.00 28.98 H new ATOM 0 HD11 LEU A 119 -26.650 79.241 5.571 1.00 32.03 H new ATOM 0 HD12 LEU A 119 -28.179 79.526 5.870 1.00 32.03 H new ATOM 0 HD13 LEU A 119 -27.700 79.250 4.386 1.00 32.03 H new ATOM 0 HD21 LEU A 119 -25.291 80.899 4.397 1.00 30.80 H new ATOM 0 HD22 LEU A 119 -26.330 80.945 3.202 1.00 30.80 H new ATOM 0 HD23 LEU A 119 -25.916 82.282 3.943 1.00 30.80 H new ATOM 963 N PHE A 120 -30.580 84.199 4.440 1.00 21.45 N ATOM 964 CA PHE A 120 -31.615 84.904 3.739 1.00 22.44 C ATOM 965 C PHE A 120 -31.148 86.318 3.454 1.00 24.09 C ATOM 966 O PHE A 120 -31.573 86.905 2.473 1.00 24.42 O ATOM 967 CB PHE A 120 -32.904 84.955 4.588 1.00 22.05 C ATOM 968 CG PHE A 120 -34.010 85.841 4.042 1.00 19.51 C ATOM 969 CD1 PHE A 120 -34.081 87.166 4.343 1.00 19.54 C ATOM 970 CD2 PHE A 120 -35.019 85.303 3.309 1.00 19.56 C ATOM 971 CE1 PHE A 120 -35.129 87.985 3.883 1.00 20.35 C ATOM 972 CE2 PHE A 120 -36.070 86.094 2.821 1.00 20.28 C ATOM 973 CZ PHE A 120 -36.139 87.455 3.115 1.00 19.94 C ATOM 0 H PHE A 120 -30.772 83.952 5.241 1.00 21.45 H new ATOM 0 HA PHE A 120 -31.805 84.441 2.908 1.00 22.44 H new ATOM 0 HB2 PHE A 120 -33.249 84.053 4.679 1.00 22.05 H new ATOM 0 HB3 PHE A 120 -32.674 85.263 5.479 1.00 22.05 H new ATOM 0 HD1 PHE A 120 -33.414 87.543 4.871 1.00 19.54 H new ATOM 0 HD2 PHE A 120 -35.013 84.391 3.127 1.00 19.56 H new ATOM 0 HE1 PHE A 120 -35.138 88.889 4.100 1.00 20.35 H new ATOM 0 HE2 PHE A 120 -36.730 85.705 2.294 1.00 20.28 H new ATOM 0 HZ PHE A 120 -36.839 87.983 2.805 1.00 19.94 H new ATOM 974 N LEU A 121 -30.375 86.911 4.369 1.00 24.66 N ATOM 975 CA LEU A 121 -30.051 88.344 4.275 1.00 23.05 C ATOM 976 C LEU A 121 -28.728 88.604 3.591 1.00 23.28 C ATOM 977 O LEU A 121 -28.533 89.676 3.047 1.00 20.26 O ATOM 978 CB LEU A 121 -29.973 88.946 5.634 1.00 22.37 C ATOM 979 CG LEU A 121 -31.272 89.100 6.356 1.00 23.08 C ATOM 980 CD1 LEU A 121 -30.972 89.338 7.844 1.00 24.09 C ATOM 981 CD2 LEU A 121 -32.098 90.242 5.764 1.00 23.26 C ATOM 0 H LEU A 121 -30.030 86.508 5.046 1.00 24.66 H new ATOM 0 HA LEU A 121 -30.761 88.743 3.748 1.00 23.05 H new ATOM 0 HB2 LEU A 121 -29.384 88.400 6.177 1.00 22.37 H new ATOM 0 HB3 LEU A 121 -29.559 89.820 5.558 1.00 22.37 H new ATOM 0 HG LEU A 121 -31.801 88.293 6.257 1.00 23.08 H new ATOM 0 HD11 LEU A 121 -31.805 89.441 8.330 1.00 24.09 H new ATOM 0 HD12 LEU A 121 -30.481 88.581 8.200 1.00 24.09 H new ATOM 0 HD13 LEU A 121 -30.440 90.143 7.942 1.00 24.09 H new ATOM 0 HD21 LEU A 121 -32.934 90.322 6.249 1.00 23.26 H new ATOM 0 HD22 LEU A 121 -31.602 91.072 5.837 1.00 23.26 H new ATOM 0 HD23 LEU A 121 -32.282 90.058 4.830 1.00 23.26 H new ATOM 982 N GLN A 122 -27.823 87.628 3.668 1.00 23.26 N ATOM 983 CA GLN A 122 -26.461 87.813 3.244 1.00 22.78 C ATOM 984 C GLN A 122 -26.005 86.703 2.344 1.00 24.04 C ATOM 985 O GLN A 122 -24.851 86.332 2.379 1.00 25.39 O ATOM 986 CB GLN A 122 -25.566 87.903 4.485 1.00 23.78 C ATOM 987 CG GLN A 122 -26.019 89.041 5.398 1.00 25.40 C ATOM 988 CD GLN A 122 -24.969 89.626 6.327 1.00 26.46 C ATOM 989 OE1 GLN A 122 -24.226 88.911 7.034 1.00 26.54 O ATOM 990 NE2 GLN A 122 -24.954 90.950 6.383 1.00 27.19 N ATOM 0 H GLN A 122 -27.994 86.841 3.970 1.00 23.26 H new ATOM 0 HA GLN A 122 -26.401 88.635 2.732 1.00 22.78 H new ATOM 0 HB2 GLN A 122 -25.593 87.063 4.970 1.00 23.78 H new ATOM 0 HB3 GLN A 122 -24.645 88.046 4.215 1.00 23.78 H new ATOM 0 HG2 GLN A 122 -26.365 89.757 4.842 1.00 25.40 H new ATOM 0 HG3 GLN A 122 -26.758 88.720 5.939 1.00 25.40 H new ATOM 0 HE21 GLN A 122 -25.481 91.408 5.880 1.00 27.19 H new ATOM 0 HE22 GLN A 122 -24.418 91.352 6.922 1.00 27.19 H new ATOM 991 N SER A 123 -26.914 86.175 1.534 1.00 26.33 N ATOM 992 CA SER A 123 -26.560 85.268 0.474 1.00 28.37 C ATOM 993 C SER A 123 -27.570 85.203 -0.624 1.00 32.28 C ATOM 994 O SER A 123 -28.720 85.555 -0.470 1.00 35.82 O ATOM 995 CB SER A 123 -26.306 83.849 1.002 1.00 32.12 C ATOM 996 OG SER A 123 -27.498 83.131 1.273 1.00 31.36 O ATOM 0 H SER A 123 -27.756 86.339 1.591 1.00 26.33 H new ATOM 0 HA SER A 123 -25.742 85.633 0.101 1.00 28.37 H new ATOM 0 HB2 SER A 123 -25.780 83.358 0.351 1.00 32.12 H new ATOM 0 HB3 SER A 123 -25.776 83.902 1.813 1.00 32.12 H new ATOM 0 HG SER A 123 -28.087 83.661 1.553 1.00 31.36 H new ATOM 997 N HIS A 124 -27.099 84.702 -1.750 1.00 41.62 N ATOM 998 CA HIS A 124 -27.873 84.476 -2.986 1.00 46.00 C ATOM 999 C HIS A 124 -28.741 83.200 -2.878 1.00 41.95 C ATOM 1000 O HIS A 124 -29.728 83.098 -3.580 1.00 38.53 O ATOM 1001 CB HIS A 124 -26.894 84.285 -4.151 1.00 56.91 C ATOM 1002 CG HIS A 124 -25.793 83.255 -3.877 1.00 79.63 C ATOM 1003 ND1 HIS A 124 -25.632 82.093 -4.618 1.00 84.29 N ATOM 1004 CD2 HIS A 124 -24.809 83.221 -2.933 1.00 79.44 C ATOM 1005 CE1 HIS A 124 -24.595 81.406 -4.157 1.00 79.10 C ATOM 1006 NE2 HIS A 124 -24.081 82.069 -3.131 1.00 75.02 N ATOM 0 H HIS A 124 -26.276 84.468 -1.832 1.00 41.62 H new ATOM 0 HA HIS A 124 -28.452 85.242 -3.128 1.00 46.00 H new ATOM 0 HB2 HIS A 124 -27.391 84.012 -4.938 1.00 56.91 H new ATOM 0 HB3 HIS A 124 -26.482 85.138 -4.358 1.00 56.91 H new ATOM 0 HD2 HIS A 124 -24.657 83.860 -2.275 1.00 79.44 H new ATOM 0 HE1 HIS A 124 -24.282 80.598 -4.496 1.00 79.10 H new ATOM 0 HE2 HIS A 124 -23.403 81.820 -2.664 1.00 75.02 H new ATOM 1007 N LEU A 125 -28.375 82.254 -1.988 1.00 37.26 N ATOM 1008 CA LEU A 125 -29.030 80.930 -1.851 1.00 34.77 C ATOM 1009 C LEU A 125 -30.524 81.001 -1.769 1.00 34.58 C ATOM 1010 O LEU A 125 -31.031 81.852 -1.058 1.00 38.01 O ATOM 1011 CB LEU A 125 -28.611 80.244 -0.564 1.00 33.56 C ATOM 1012 CG LEU A 125 -27.150 79.887 -0.403 1.00 35.26 C ATOM 1013 CD1 LEU A 125 -26.894 78.991 0.794 1.00 36.15 C ATOM 1014 CD2 LEU A 125 -26.643 79.186 -1.648 1.00 35.22 C ATOM 0 H LEU A 125 -27.725 82.367 -1.436 1.00 37.26 H new ATOM 0 HA LEU A 125 -28.755 80.450 -2.648 1.00 34.77 H new ATOM 0 HB2 LEU A 125 -28.861 80.819 0.176 1.00 33.56 H new ATOM 0 HB3 LEU A 125 -29.129 79.429 -0.478 1.00 33.56 H new ATOM 0 HG LEU A 125 -26.677 80.722 -0.261 1.00 35.26 H new ATOM 0 HD11 LEU A 125 -25.946 78.792 0.853 1.00 36.15 H new ATOM 0 HD12 LEU A 125 -27.180 79.443 1.603 1.00 36.15 H new ATOM 0 HD13 LEU A 125 -27.392 78.165 0.692 1.00 36.15 H new ATOM 0 HD21 LEU A 125 -25.706 78.962 -1.534 1.00 35.22 H new ATOM 0 HD22 LEU A 125 -27.154 78.374 -1.793 1.00 35.22 H new ATOM 0 HD23 LEU A 125 -26.744 79.773 -2.414 1.00 35.22 H new ATOM 1015 N ASN A 126 -31.233 80.121 -2.471 1.00 33.99 N ATOM 1016 CA ASN A 126 -32.672 80.087 -2.320 1.00 37.06 C ATOM 1017 C ASN A 126 -33.033 79.174 -1.147 1.00 35.02 C ATOM 1018 O ASN A 126 -32.150 78.497 -0.561 1.00 30.98 O ATOM 1019 CB ASN A 126 -33.389 79.646 -3.595 1.00 40.85 C ATOM 1020 CG ASN A 126 -32.976 78.239 -4.068 1.00 48.01 C ATOM 1021 OD1 ASN A 126 -32.951 77.214 -3.321 1.00 46.47 O ATOM 1022 ND2 ASN A 126 -32.651 78.190 -5.340 1.00 48.82 N ATOM 0 H ASN A 126 -30.905 79.551 -3.025 1.00 33.99 H new ATOM 0 HA ASN A 126 -32.975 80.991 -2.140 1.00 37.06 H new ATOM 0 HB2 ASN A 126 -34.347 79.661 -3.442 1.00 40.85 H new ATOM 0 HB3 ASN A 126 -33.204 80.285 -4.301 1.00 40.85 H new ATOM 0 HD21 ASN A 126 -32.411 77.444 -5.694 1.00 48.82 H new ATOM 0 HD22 ASN A 126 -32.679 78.904 -5.819 1.00 48.82 H new ATOM 1023 N SER A 127 -34.333 79.127 -0.837 1.00 32.06 N ATOM 1024 CA SER A 127 -34.795 78.446 0.389 1.00 34.05 C ATOM 1025 C SER A 127 -34.452 76.974 0.482 1.00 34.60 C ATOM 1026 O SER A 127 -34.063 76.497 1.558 1.00 32.06 O ATOM 1027 CB SER A 127 -36.279 78.622 0.594 1.00 32.66 C ATOM 1028 OG SER A 127 -36.931 78.443 -0.630 1.00 33.59 O ATOM 0 H SER A 127 -34.958 79.476 -1.313 1.00 32.06 H new ATOM 0 HA SER A 127 -34.298 78.886 1.096 1.00 34.05 H new ATOM 0 HB2 SER A 127 -36.606 77.981 1.245 1.00 32.66 H new ATOM 0 HB3 SER A 127 -36.466 79.506 0.947 1.00 32.66 H new ATOM 0 HG SER A 127 -37.759 78.538 -0.523 1.00 33.59 H new ATOM 1029 N GLU A 128 -34.553 76.282 -0.644 1.00 36.60 N ATOM 1030 CA GLU A 128 -34.114 74.900 -0.733 1.00 43.29 C ATOM 1031 C GLU A 128 -32.697 74.804 -0.200 1.00 44.59 C ATOM 1032 O GLU A 128 -32.412 74.030 0.735 1.00 40.16 O ATOM 1033 CB GLU A 128 -34.150 74.434 -2.197 1.00 57.73 C ATOM 1034 CG GLU A 128 -34.268 72.926 -2.454 1.00 67.15 C ATOM 1035 CD GLU A 128 -33.863 72.519 -3.909 1.00 76.82 C ATOM 1036 OE1 GLU A 128 -34.684 72.625 -4.862 1.00 71.80 O ATOM 1037 OE2 GLU A 128 -32.697 72.100 -4.116 1.00 77.84 O ATOM 0 H GLU A 128 -34.877 76.599 -1.375 1.00 36.60 H new ATOM 0 HA GLU A 128 -34.703 74.334 -0.210 1.00 43.29 H new ATOM 0 HB2 GLU A 128 -34.898 74.872 -2.633 1.00 57.73 H new ATOM 0 HB3 GLU A 128 -33.343 74.750 -2.632 1.00 57.73 H new ATOM 0 HG2 GLU A 128 -33.706 72.451 -1.822 1.00 67.15 H new ATOM 0 HG3 GLU A 128 -35.182 72.645 -2.288 1.00 67.15 H new ATOM 1038 N ASP A 129 -31.794 75.600 -0.781 1.00 46.81 N ATOM 1039 CA ASP A 129 -30.375 75.450 -0.431 1.00 46.53 C ATOM 1040 C ASP A 129 -30.094 75.921 0.977 1.00 39.25 C ATOM 1041 O ASP A 129 -29.265 75.366 1.665 1.00 36.41 O ATOM 1042 CB ASP A 129 -29.478 76.221 -1.369 1.00 52.27 C ATOM 1043 CG ASP A 129 -29.698 75.864 -2.819 1.00 58.94 C ATOM 1044 OD1 ASP A 129 -29.921 74.660 -3.092 1.00 64.22 O ATOM 1045 OD2 ASP A 129 -29.628 76.803 -3.670 1.00 56.95 O ATOM 0 H ASP A 129 -31.971 76.212 -1.359 1.00 46.81 H new ATOM 0 HA ASP A 129 -30.185 74.502 -0.505 1.00 46.53 H new ATOM 0 HB2 ASP A 129 -29.631 77.171 -1.248 1.00 52.27 H new ATOM 0 HB3 ASP A 129 -28.552 76.051 -1.136 1.00 52.27 H new ATOM 1046 N ILE A 130 -30.798 76.943 1.422 1.00 35.68 N ATOM 1047 CA ILE A 130 -30.617 77.383 2.795 1.00 35.90 C ATOM 1048 C ILE A 130 -30.871 76.228 3.755 1.00 38.33 C ATOM 1049 O ILE A 130 -30.027 75.903 4.600 1.00 38.27 O ATOM 1050 CB ILE A 130 -31.532 78.564 3.149 1.00 32.44 C ATOM 1051 CG1 ILE A 130 -31.163 79.783 2.281 1.00 31.10 C ATOM 1052 CG2 ILE A 130 -31.379 78.900 4.622 1.00 30.49 C ATOM 1053 CD1 ILE A 130 -32.040 80.989 2.487 1.00 29.89 C ATOM 0 H ILE A 130 -31.372 77.388 0.962 1.00 35.68 H new ATOM 0 HA ILE A 130 -29.699 77.685 2.882 1.00 35.90 H new ATOM 0 HB ILE A 130 -32.456 78.324 2.975 1.00 32.44 H new ATOM 0 HG12 ILE A 130 -30.244 80.031 2.467 1.00 31.10 H new ATOM 0 HG13 ILE A 130 -31.204 79.524 1.347 1.00 31.10 H new ATOM 0 HG21 ILE A 130 -31.957 79.646 4.846 1.00 30.49 H new ATOM 0 HG22 ILE A 130 -31.625 78.129 5.157 1.00 30.49 H new ATOM 0 HG23 ILE A 130 -30.457 79.140 4.805 1.00 30.49 H new ATOM 0 HD11 ILE A 130 -31.743 81.708 1.907 1.00 29.89 H new ATOM 0 HD12 ILE A 130 -32.959 80.761 2.275 1.00 29.89 H new ATOM 0 HD13 ILE A 130 -31.984 81.276 3.412 1.00 29.89 H new ATOM 1054 N GLU A 131 -32.034 75.601 3.580 1.00 43.98 N ATOM 1055 CA GLU A 131 -32.423 74.397 4.340 1.00 43.24 C ATOM 1056 C GLU A 131 -31.357 73.316 4.212 1.00 39.95 C ATOM 1057 O GLU A 131 -30.928 72.734 5.213 1.00 35.08 O ATOM 1058 CB GLU A 131 -33.804 73.883 3.899 1.00 42.34 C ATOM 1059 CG GLU A 131 -34.884 74.850 4.355 1.00 50.03 C ATOM 1060 CD GLU A 131 -36.319 74.450 4.124 1.00 55.88 C ATOM 1061 OE1 GLU A 131 -36.565 73.587 3.261 1.00 63.82 O ATOM 1062 OE2 GLU A 131 -37.208 75.069 4.756 1.00 53.51 O ATOM 0 H GLU A 131 -32.628 75.860 3.014 1.00 43.98 H new ATOM 0 HA GLU A 131 -32.492 74.638 5.277 1.00 43.24 H new ATOM 0 HB2 GLU A 131 -33.830 73.788 2.934 1.00 42.34 H new ATOM 0 HB3 GLU A 131 -33.966 73.004 4.275 1.00 42.34 H new ATOM 0 HG2 GLU A 131 -34.766 75.005 5.305 1.00 50.03 H new ATOM 0 HG3 GLU A 131 -34.734 75.698 3.909 1.00 50.03 H new ATOM 1063 N ALA A 132 -30.893 73.073 2.997 1.00 37.16 N ATOM 1064 CA ALA A 132 -29.857 72.091 2.856 1.00 42.20 C ATOM 1065 C ALA A 132 -28.671 72.466 3.746 1.00 46.40 C ATOM 1066 O ALA A 132 -28.112 71.613 4.451 1.00 46.62 O ATOM 1067 CB ALA A 132 -29.425 71.985 1.418 1.00 43.26 C ATOM 0 H ALA A 132 -31.157 73.453 2.272 1.00 37.16 H new ATOM 0 HA ALA A 132 -30.199 71.227 3.133 1.00 42.20 H new ATOM 0 HB1 ALA A 132 -28.725 71.318 1.338 1.00 43.26 H new ATOM 0 HB2 ALA A 132 -30.182 71.725 0.871 1.00 43.26 H new ATOM 0 HB3 ALA A 132 -29.089 72.844 1.117 1.00 43.26 H new ATOM 1068 N CYS A 133 -28.327 73.755 3.728 1.00 49.64 N ATOM 1069 CA CYS A 133 -27.057 74.217 4.250 1.00 50.93 C ATOM 1070 C CYS A 133 -27.056 74.198 5.749 1.00 46.84 C ATOM 1071 O CYS A 133 -26.127 73.712 6.349 1.00 44.07 O ATOM 1072 CB CYS A 133 -26.733 75.633 3.743 1.00 52.84 C ATOM 1073 SG CYS A 133 -25.121 76.276 4.285 1.00 48.24 S ATOM 0 H CYS A 133 -28.827 74.379 3.412 1.00 49.64 H new ATOM 0 HA CYS A 133 -26.371 73.610 3.930 1.00 50.93 H new ATOM 0 HB2 CYS A 133 -26.758 75.631 2.773 1.00 52.84 H new ATOM 0 HB3 CYS A 133 -27.428 76.239 4.044 1.00 52.84 H new ATOM 0 HG CYS A 133 -24.387 76.365 3.340 1.00 48.24 H new ATOM 1074 N VAL A 134 -28.101 74.727 6.356 1.00 45.36 N ATOM 1075 CA VAL A 134 -28.158 74.736 7.817 1.00 49.61 C ATOM 1076 C VAL A 134 -28.409 73.343 8.407 1.00 51.42 C ATOM 1077 O VAL A 134 -28.212 73.143 9.580 1.00 49.47 O ATOM 1078 CB VAL A 134 -29.236 75.683 8.327 1.00 49.74 C ATOM 1079 CG1 VAL A 134 -28.989 77.073 7.800 1.00 52.05 C ATOM 1080 CG2 VAL A 134 -30.607 75.236 7.863 1.00 53.95 C ATOM 0 H VAL A 134 -28.777 75.080 5.958 1.00 45.36 H new ATOM 0 HA VAL A 134 -27.286 75.043 8.110 1.00 49.61 H new ATOM 0 HB VAL A 134 -29.203 75.678 9.296 1.00 49.74 H new ATOM 0 HG11 VAL A 134 -29.679 77.671 8.128 1.00 52.05 H new ATOM 0 HG12 VAL A 134 -28.121 77.384 8.102 1.00 52.05 H new ATOM 0 HG13 VAL A 134 -29.008 77.060 6.830 1.00 52.05 H new ATOM 0 HG21 VAL A 134 -31.278 75.851 8.198 1.00 53.95 H new ATOM 0 HG22 VAL A 134 -30.633 75.226 6.893 1.00 53.95 H new ATOM 0 HG23 VAL A 134 -30.788 74.345 8.201 1.00 53.95 H new ATOM 1081 N SER A 135 -28.860 72.402 7.579 1.00 59.19 N ATOM 1082 CA SER A 135 -29.118 71.019 7.989 1.00 61.29 C ATOM 1083 C SER A 135 -27.907 70.141 7.787 1.00 61.85 C ATOM 1084 O SER A 135 -27.986 68.942 7.972 1.00 66.96 O ATOM 1085 CB SER A 135 -30.264 70.436 7.165 1.00 61.04 C ATOM 1086 OG SER A 135 -31.495 71.054 7.533 1.00 63.78 O ATOM 0 H SER A 135 -29.028 72.551 6.749 1.00 59.19 H new ATOM 0 HA SER A 135 -29.344 71.038 8.932 1.00 61.29 H new ATOM 0 HB2 SER A 135 -30.095 70.573 6.220 1.00 61.04 H new ATOM 0 HB3 SER A 135 -30.319 69.478 7.307 1.00 61.04 H new ATOM 0 HG SER A 135 -31.666 71.678 6.998 1.00 63.78 H new ATOM 1087 N GLY A 136 -26.794 70.721 7.372 1.00 59.97 N ATOM 1088 CA GLY A 136 -25.554 69.977 7.292 1.00 60.37 C ATOM 1089 C GLY A 136 -25.303 69.232 5.999 1.00 61.03 C ATOM 1090 O GLY A 136 -24.318 68.537 5.893 1.00 75.88 O ATOM 0 H GLY A 136 -26.736 71.545 7.132 1.00 59.97 H new ATOM 0 HA2 GLY A 136 -24.819 70.593 7.436 1.00 60.37 H new ATOM 0 HA3 GLY A 136 -25.535 69.337 8.021 1.00 60.37 H new ATOM 1091 N GLN A 137 -26.130 69.416 4.988 1.00 59.48 N ATOM 1092 CA GLN A 137 -26.071 68.558 3.811 1.00 63.35 C ATOM 1093 C GLN A 137 -25.396 69.104 2.565 1.00 65.84 C ATOM 1094 O GLN A 137 -25.484 68.497 1.496 1.00 70.22 O ATOM 1095 CB GLN A 137 -27.483 68.171 3.446 1.00 72.97 C ATOM 1096 CG GLN A 137 -28.069 67.357 4.577 1.00 84.11 C ATOM 1097 CD GLN A 137 -29.550 67.179 4.481 1.00 90.43 C ATOM 1098 OE1 GLN A 137 -30.274 68.064 4.018 1.00 80.90 O ATOM 1099 NE2 GLN A 137 -30.022 66.036 4.963 1.00 97.14 N ATOM 0 H GLN A 137 -26.733 70.029 4.959 1.00 59.48 H new ATOM 0 HA GLN A 137 -25.503 67.820 4.083 1.00 63.35 H new ATOM 0 HB2 GLN A 137 -28.019 68.964 3.289 1.00 72.97 H new ATOM 0 HB3 GLN A 137 -27.489 67.657 2.623 1.00 72.97 H new ATOM 0 HG2 GLN A 137 -27.646 66.484 4.590 1.00 84.11 H new ATOM 0 HG3 GLN A 137 -27.857 67.788 5.420 1.00 84.11 H new ATOM 0 HE21 GLN A 137 -29.481 65.446 5.277 1.00 97.14 H new ATOM 0 HE22 GLN A 137 -30.869 65.886 4.962 1.00 97.14 H new ATOM 1100 N THR A 138 -24.741 70.246 2.683 1.00 61.53 N ATOM 1101 CA THR A 138 -24.104 70.860 1.540 1.00 55.16 C ATOM 1102 C THR A 138 -22.640 70.704 1.770 1.00 58.54 C ATOM 1103 O THR A 138 -22.211 70.510 2.906 1.00 58.79 O ATOM 1104 CB THR A 138 -24.397 72.357 1.508 1.00 55.27 C ATOM 1105 OG1 THR A 138 -24.263 72.871 2.845 1.00 50.71 O ATOM 1106 CG2 THR A 138 -25.803 72.639 1.008 1.00 51.14 C ATOM 0 H THR A 138 -24.655 70.681 3.420 1.00 61.53 H new ATOM 0 HA THR A 138 -24.416 70.457 0.715 1.00 55.16 H new ATOM 0 HB THR A 138 -23.772 72.785 0.902 1.00 55.27 H new ATOM 0 HG1 THR A 138 -23.556 73.321 2.903 1.00 50.71 H new ATOM 0 HG21 THR A 138 -25.958 73.597 1.000 1.00 51.14 H new ATOM 0 HG22 THR A 138 -25.904 72.288 0.109 1.00 51.14 H new ATOM 0 HG23 THR A 138 -26.447 72.213 1.595 1.00 51.14 H new ATOM 1107 N LYS A 139 -21.863 70.836 0.703 1.00 63.60 N ATOM 1108 CA LYS A 139 -20.395 70.821 0.811 1.00 61.68 C ATOM 1109 C LYS A 139 -19.909 72.081 1.537 1.00 59.49 C ATOM 1110 O LYS A 139 -19.004 72.021 2.369 1.00 52.63 O ATOM 1111 CB LYS A 139 -19.760 70.727 -0.568 1.00 67.15 C ATOM 1112 CG LYS A 139 -20.548 69.846 -1.522 1.00 82.38 C ATOM 1113 CD LYS A 139 -19.804 69.549 -2.821 1.00 95.17 C ATOM 1114 CE LYS A 139 -19.909 68.074 -3.196 1.00 94.68 C ATOM 1115 NZ LYS A 139 -20.024 67.926 -4.669 1.00 95.29 N ATOM 0 H LYS A 139 -22.160 70.936 -0.098 1.00 63.60 H new ATOM 0 HA LYS A 139 -20.129 70.042 1.324 1.00 61.68 H new ATOM 0 HB2 LYS A 139 -19.684 71.617 -0.945 1.00 67.15 H new ATOM 0 HB3 LYS A 139 -18.859 70.377 -0.481 1.00 67.15 H new ATOM 0 HG2 LYS A 139 -20.760 69.009 -1.079 1.00 82.38 H new ATOM 0 HG3 LYS A 139 -21.391 70.278 -1.731 1.00 82.38 H new ATOM 0 HD2 LYS A 139 -20.168 70.093 -3.536 1.00 95.17 H new ATOM 0 HD3 LYS A 139 -18.871 69.795 -2.725 1.00 95.17 H new ATOM 0 HE2 LYS A 139 -19.128 67.596 -2.876 1.00 94.68 H new ATOM 0 HE3 LYS A 139 -20.681 67.678 -2.763 1.00 94.68 H new ATOM 0 HZ1 LYS A 139 -20.085 67.063 -4.877 1.00 95.29 H new ATOM 0 HZ2 LYS A 139 -20.752 68.351 -4.954 1.00 95.29 H new ATOM 0 HZ3 LYS A 139 -19.305 68.275 -5.060 1.00 95.29 H new ATOM 1116 N TYR A 140 -20.584 73.206 1.273 1.00 53.73 N ATOM 1117 CA TYR A 140 -20.164 74.500 1.800 1.00 49.73 C ATOM 1118 C TYR A 140 -20.768 74.797 3.142 1.00 48.41 C ATOM 1119 O TYR A 140 -21.876 74.394 3.380 1.00 55.03 O ATOM 1120 CB TYR A 140 -20.543 75.613 0.845 1.00 48.01 C ATOM 1121 CG TYR A 140 -21.963 75.618 0.377 1.00 48.50 C ATOM 1122 CD1 TYR A 140 -22.979 76.202 1.141 1.00 52.90 C ATOM 1123 CD2 TYR A 140 -22.291 75.100 -0.844 1.00 46.22 C ATOM 1124 CE1 TYR A 140 -24.300 76.227 0.690 1.00 51.33 C ATOM 1125 CE2 TYR A 140 -23.593 75.112 -1.303 1.00 46.77 C ATOM 1126 CZ TYR A 140 -24.593 75.671 -0.537 1.00 49.60 C ATOM 1127 OH TYR A 140 -25.876 75.681 -1.030 1.00 53.55 O ATOM 0 H TYR A 140 -21.293 73.236 0.786 1.00 53.73 H new ATOM 0 HA TYR A 140 -19.200 74.453 1.900 1.00 49.73 H new ATOM 0 HB2 TYR A 140 -20.360 76.462 1.277 1.00 48.01 H new ATOM 0 HB3 TYR A 140 -19.965 75.560 0.068 1.00 48.01 H new ATOM 0 HD1 TYR A 140 -22.771 76.581 1.965 1.00 52.90 H new ATOM 0 HD2 TYR A 140 -21.624 74.732 -1.377 1.00 46.22 H new ATOM 0 HE1 TYR A 140 -24.970 76.612 1.208 1.00 51.33 H new ATOM 0 HE2 TYR A 140 -23.796 74.742 -2.132 1.00 46.77 H new ATOM 0 HH TYR A 140 -25.890 75.308 -1.783 1.00 53.55 H new ATOM 1128 N SER A 141 -20.062 75.525 4.004 1.00 45.65 N ATOM 1129 CA SER A 141 -20.675 76.031 5.226 1.00 42.43 C ATOM 1130 C SER A 141 -21.456 77.328 5.000 1.00 38.95 C ATOM 1131 O SER A 141 -21.481 77.910 3.920 1.00 41.02 O ATOM 1132 CB SER A 141 -19.626 76.294 6.291 1.00 44.21 C ATOM 1133 OG SER A 141 -18.793 77.385 5.921 1.00 42.09 O ATOM 0 H SER A 141 -19.234 75.735 3.900 1.00 45.65 H new ATOM 0 HA SER A 141 -21.291 75.341 5.517 1.00 42.43 H new ATOM 0 HB2 SER A 141 -20.059 76.485 7.137 1.00 44.21 H new ATOM 0 HB3 SER A 141 -19.086 75.499 6.422 1.00 44.21 H new ATOM 0 HG SER A 141 -18.221 77.517 6.521 1.00 42.09 H new ATOM 1134 N VAL A 142 -22.117 77.754 6.054 1.00 37.30 N ATOM 1135 CA VAL A 142 -22.883 78.982 6.062 1.00 38.26 C ATOM 1136 C VAL A 142 -21.935 80.154 5.820 1.00 40.25 C ATOM 1137 O VAL A 142 -22.245 81.035 5.021 1.00 36.74 O ATOM 1138 CB VAL A 142 -23.624 79.143 7.427 1.00 37.04 C ATOM 1139 CG1 VAL A 142 -24.255 80.499 7.571 1.00 34.42 C ATOM 1140 CG2 VAL A 142 -24.700 78.098 7.578 1.00 36.60 C ATOM 0 H VAL A 142 -22.135 77.330 6.802 1.00 37.30 H new ATOM 0 HA VAL A 142 -23.551 78.960 5.359 1.00 38.26 H new ATOM 0 HB VAL A 142 -22.952 79.035 8.118 1.00 37.04 H new ATOM 0 HG11 VAL A 142 -24.703 80.558 8.429 1.00 34.42 H new ATOM 0 HG12 VAL A 142 -23.569 81.183 7.517 1.00 34.42 H new ATOM 0 HG13 VAL A 142 -24.901 80.633 6.859 1.00 34.42 H new ATOM 0 HG21 VAL A 142 -25.148 78.215 8.431 1.00 36.60 H new ATOM 0 HG22 VAL A 142 -25.345 78.191 6.859 1.00 36.60 H new ATOM 0 HG23 VAL A 142 -24.301 77.215 7.541 1.00 36.60 H new ATOM 1141 N GLU A 143 -20.782 80.146 6.502 1.00 42.63 N ATOM 1142 CA GLU A 143 -19.812 81.235 6.359 1.00 41.63 C ATOM 1143 C GLU A 143 -19.323 81.221 4.937 1.00 36.67 C ATOM 1144 O GLU A 143 -19.313 82.234 4.282 1.00 32.68 O ATOM 1145 CB GLU A 143 -18.653 81.131 7.332 1.00 48.48 C ATOM 1146 CG GLU A 143 -19.031 80.661 8.753 1.00 66.89 C ATOM 1147 CD GLU A 143 -19.732 81.713 9.627 1.00 80.64 C ATOM 1148 OE1 GLU A 143 -19.731 82.928 9.311 1.00 87.45 O ATOM 1149 OE2 GLU A 143 -20.323 81.301 10.657 1.00 91.48 O ATOM 0 H GLU A 143 -20.546 79.524 7.047 1.00 42.63 H new ATOM 0 HA GLU A 143 -20.249 82.075 6.570 1.00 41.63 H new ATOM 0 HB2 GLU A 143 -17.997 80.517 6.967 1.00 48.48 H new ATOM 0 HB3 GLU A 143 -18.224 81.999 7.397 1.00 48.48 H new ATOM 0 HG2 GLU A 143 -19.610 79.886 8.678 1.00 66.89 H new ATOM 0 HG3 GLU A 143 -18.225 80.370 9.207 1.00 66.89 H new ATOM 1150 N GLU A 144 -19.030 80.048 4.401 1.00 35.39 N ATOM 1151 CA GLU A 144 -18.594 79.999 3.015 1.00 35.62 C ATOM 1152 C GLU A 144 -19.583 80.613 2.047 1.00 33.34 C ATOM 1153 O GLU A 144 -19.214 81.341 1.149 1.00 34.86 O ATOM 1154 CB GLU A 144 -18.232 78.594 2.601 1.00 40.36 C ATOM 1155 CG GLU A 144 -16.851 78.209 3.140 1.00 45.91 C ATOM 1156 CD GLU A 144 -16.617 76.715 3.234 1.00 53.04 C ATOM 1157 OE1 GLU A 144 -15.958 76.276 4.210 1.00 64.76 O ATOM 1158 OE2 GLU A 144 -17.106 75.971 2.356 1.00 54.13 O ATOM 0 H GLU A 144 -19.074 79.290 4.806 1.00 35.39 H new ATOM 0 HA GLU A 144 -17.796 80.549 2.971 1.00 35.62 H new ATOM 0 HB2 GLU A 144 -18.899 77.972 2.933 1.00 40.36 H new ATOM 0 HB3 GLU A 144 -18.237 78.526 1.633 1.00 40.36 H new ATOM 0 HG2 GLU A 144 -16.171 78.597 2.567 1.00 45.91 H new ATOM 0 HG3 GLU A 144 -16.738 78.600 4.020 1.00 45.91 H new ATOM 1159 N ALA A 145 -20.858 80.392 2.264 1.00 33.12 N ATOM 1160 CA ALA A 145 -21.833 80.861 1.308 1.00 31.76 C ATOM 1161 C ALA A 145 -21.929 82.355 1.332 1.00 31.98 C ATOM 1162 O ALA A 145 -22.190 82.984 0.335 1.00 28.52 O ATOM 1163 CB ALA A 145 -23.176 80.275 1.653 1.00 33.57 C ATOM 0 H ALA A 145 -21.179 79.979 2.947 1.00 33.12 H new ATOM 0 HA ALA A 145 -21.558 80.583 0.420 1.00 31.76 H new ATOM 0 HB1 ALA A 145 -23.838 80.585 1.015 1.00 33.57 H new ATOM 0 HB2 ALA A 145 -23.125 79.307 1.621 1.00 33.57 H new ATOM 0 HB3 ALA A 145 -23.432 80.555 2.546 1.00 33.57 H new ATOM 1164 N ILE A 146 -21.791 82.903 2.534 1.00 35.11 N ATOM 1165 CA ILE A 146 -21.930 84.334 2.760 1.00 34.09 C ATOM 1166 C ILE A 146 -20.755 85.101 2.168 1.00 30.97 C ATOM 1167 O ILE A 146 -20.963 86.136 1.507 1.00 26.94 O ATOM 1168 CB ILE A 146 -22.062 84.648 4.268 1.00 33.29 C ATOM 1169 CG1 ILE A 146 -23.414 84.159 4.772 1.00 34.36 C ATOM 1170 CG2 ILE A 146 -22.012 86.137 4.499 1.00 32.98 C ATOM 1171 CD1 ILE A 146 -23.658 84.304 6.259 1.00 34.74 C ATOM 0 H ILE A 146 -21.613 82.452 3.244 1.00 35.11 H new ATOM 0 HA ILE A 146 -22.741 84.621 2.312 1.00 34.09 H new ATOM 0 HB ILE A 146 -21.333 84.209 4.734 1.00 33.29 H new ATOM 0 HG12 ILE A 146 -24.110 84.642 4.299 1.00 34.36 H new ATOM 0 HG13 ILE A 146 -23.508 83.223 4.536 1.00 34.36 H new ATOM 0 HG21 ILE A 146 -22.096 86.320 5.448 1.00 32.98 H new ATOM 0 HG22 ILE A 146 -21.167 86.487 4.176 1.00 32.98 H new ATOM 0 HG23 ILE A 146 -22.741 86.563 4.022 1.00 32.98 H new ATOM 0 HD11 ILE A 146 -24.541 83.966 6.477 1.00 34.74 H new ATOM 0 HD12 ILE A 146 -22.989 83.799 6.748 1.00 34.74 H new ATOM 0 HD13 ILE A 146 -23.600 85.240 6.507 1.00 34.74 H new ATOM 1172 N HIS A 147 -19.548 84.578 2.416 1.00 28.43 N ATOM 1173 CA HIS A 147 -18.346 85.118 1.820 1.00 27.34 C ATOM 1174 C HIS A 147 -18.419 85.017 0.308 1.00 28.03 C ATOM 1175 O HIS A 147 -18.214 85.995 -0.373 1.00 26.74 O ATOM 1176 CB HIS A 147 -17.114 84.430 2.356 1.00 28.44 C ATOM 1177 CG HIS A 147 -16.717 84.895 3.716 1.00 32.61 C ATOM 1178 ND1 HIS A 147 -15.791 85.890 3.928 1.00 34.36 N ATOM 1179 CD2 HIS A 147 -17.136 84.513 4.944 1.00 37.05 C ATOM 1180 CE1 HIS A 147 -15.646 86.089 5.225 1.00 37.07 C ATOM 1181 NE2 HIS A 147 -16.452 85.269 5.866 1.00 37.32 N ATOM 0 H HIS A 147 -19.415 83.904 2.933 1.00 28.43 H new ATOM 0 HA HIS A 147 -18.280 86.055 2.060 1.00 27.34 H new ATOM 0 HB2 HIS A 147 -17.272 83.473 2.383 1.00 28.44 H new ATOM 0 HB3 HIS A 147 -16.377 84.579 1.743 1.00 28.44 H new ATOM 0 HD1 HIS A 147 -15.371 86.317 3.311 1.00 34.36 H new ATOM 0 HD2 HIS A 147 -17.770 83.859 5.130 1.00 37.05 H new ATOM 0 HE1 HIS A 147 -15.071 86.705 5.619 1.00 37.07 H new ATOM 1182 N LYS A 148 -18.793 83.871 -0.236 1.00 30.93 N ATOM 1183 CA LYS A 148 -18.886 83.765 -1.679 1.00 34.09 C ATOM 1184 C LYS A 148 -19.887 84.743 -2.261 1.00 31.76 C ATOM 1185 O LYS A 148 -19.716 85.250 -3.346 1.00 31.00 O ATOM 1186 CB LYS A 148 -19.233 82.342 -2.088 1.00 42.25 C ATOM 1187 CG LYS A 148 -19.458 82.165 -3.589 1.00 58.38 C ATOM 1188 CD LYS A 148 -19.726 80.710 -4.029 1.00 71.02 C ATOM 1189 CE LYS A 148 -20.045 80.604 -5.553 1.00 77.79 C ATOM 1190 NZ LYS A 148 -21.404 80.030 -5.880 1.00 87.83 N ATOM 0 H LYS A 148 -18.993 83.158 0.201 1.00 30.93 H new ATOM 0 HA LYS A 148 -18.016 83.994 -2.040 1.00 34.09 H new ATOM 0 HB2 LYS A 148 -18.518 81.750 -1.805 1.00 42.25 H new ATOM 0 HB3 LYS A 148 -20.034 82.065 -1.615 1.00 42.25 H new ATOM 0 HG2 LYS A 148 -20.209 82.716 -3.859 1.00 58.38 H new ATOM 0 HG3 LYS A 148 -18.679 82.496 -4.063 1.00 58.38 H new ATOM 0 HD2 LYS A 148 -18.951 80.164 -3.824 1.00 71.02 H new ATOM 0 HD3 LYS A 148 -20.469 80.351 -3.519 1.00 71.02 H new ATOM 0 HE2 LYS A 148 -19.979 81.488 -5.946 1.00 77.79 H new ATOM 0 HE3 LYS A 148 -19.366 80.054 -5.975 1.00 77.79 H new ATOM 0 HZ1 LYS A 148 -21.510 80.002 -6.763 1.00 87.83 H new ATOM 0 HZ2 LYS A 148 -21.466 79.207 -5.548 1.00 87.83 H new ATOM 0 HZ3 LYS A 148 -22.037 80.543 -5.522 1.00 87.83 H new ATOM 1191 N PHE A 149 -20.929 85.059 -1.531 1.00 35.06 N ATOM 1192 CA PHE A 149 -21.894 86.030 -2.026 1.00 35.83 C ATOM 1193 C PHE A 149 -21.303 87.431 -2.067 1.00 37.46 C ATOM 1194 O PHE A 149 -21.498 88.149 -3.034 1.00 36.27 O ATOM 1195 CB PHE A 149 -23.099 86.089 -1.129 1.00 35.47 C ATOM 1196 CG PHE A 149 -24.086 87.108 -1.549 1.00 36.69 C ATOM 1197 CD1 PHE A 149 -24.638 87.047 -2.853 1.00 46.70 C ATOM 1198 CD2 PHE A 149 -24.476 88.120 -0.677 1.00 36.50 C ATOM 1199 CE1 PHE A 149 -25.571 87.993 -3.283 1.00 47.97 C ATOM 1200 CE2 PHE A 149 -25.417 89.057 -1.077 1.00 40.92 C ATOM 1201 CZ PHE A 149 -25.955 89.007 -2.376 1.00 45.61 C ATOM 0 H PHE A 149 -21.103 84.732 -0.755 1.00 35.06 H new ATOM 0 HA PHE A 149 -22.139 85.742 -2.919 1.00 35.83 H new ATOM 0 HB2 PHE A 149 -23.527 85.219 -1.114 1.00 35.47 H new ATOM 0 HB3 PHE A 149 -22.812 86.279 -0.222 1.00 35.47 H new ATOM 0 HD1 PHE A 149 -24.375 86.367 -3.431 1.00 46.70 H new ATOM 0 HD2 PHE A 149 -24.105 88.168 0.175 1.00 36.50 H new ATOM 0 HE1 PHE A 149 -25.929 87.957 -4.141 1.00 47.97 H new ATOM 0 HE2 PHE A 149 -25.693 89.720 -0.486 1.00 40.92 H new ATOM 0 HZ PHE A 149 -26.572 89.650 -2.642 1.00 45.61 H new ATOM 1202 N ALA A 150 -20.601 87.815 -1.001 1.00 33.85 N ATOM 1203 CA ALA A 150 -19.998 89.121 -0.938 1.00 31.94 C ATOM 1204 C ALA A 150 -18.962 89.265 -2.063 1.00 33.41 C ATOM 1205 O ALA A 150 -19.008 90.250 -2.812 1.00 28.43 O ATOM 1206 CB ALA A 150 -19.374 89.342 0.421 1.00 30.52 C ATOM 0 H ALA A 150 -20.468 87.325 -0.307 1.00 33.85 H new ATOM 0 HA ALA A 150 -20.679 89.800 -1.063 1.00 31.94 H new ATOM 0 HB1 ALA A 150 -18.971 90.224 0.453 1.00 30.52 H new ATOM 0 HB2 ALA A 150 -20.057 89.274 1.106 1.00 30.52 H new ATOM 0 HB3 ALA A 150 -18.692 88.670 0.578 1.00 30.52 H new ATOM 1207 N LEU A 151 -18.079 88.266 -2.232 1.00 33.71 N ATOM 1208 CA LEU A 151 -17.123 88.314 -3.343 1.00 34.37 C ATOM 1209 C LEU A 151 -17.846 88.469 -4.695 1.00 36.83 C ATOM 1210 O LEU A 151 -17.545 89.396 -5.419 1.00 38.35 O ATOM 1211 CB LEU A 151 -16.207 87.126 -3.367 1.00 32.63 C ATOM 1212 CG LEU A 151 -15.490 86.810 -2.059 1.00 36.04 C ATOM 1213 CD1 LEU A 151 -14.847 85.454 -2.111 1.00 35.77 C ATOM 1214 CD2 LEU A 151 -14.407 87.798 -1.717 1.00 40.62 C ATOM 0 H LEU A 151 -18.020 87.572 -1.728 1.00 33.71 H new ATOM 0 HA LEU A 151 -16.570 89.098 -3.196 1.00 34.37 H new ATOM 0 HB2 LEU A 151 -16.723 86.347 -3.629 1.00 32.63 H new ATOM 0 HB3 LEU A 151 -15.539 87.269 -4.056 1.00 32.63 H new ATOM 0 HG LEU A 151 -16.181 86.850 -1.380 1.00 36.04 H new ATOM 0 HD11 LEU A 151 -14.398 85.276 -1.270 1.00 35.77 H new ATOM 0 HD12 LEU A 151 -15.527 84.779 -2.264 1.00 35.77 H new ATOM 0 HD13 LEU A 151 -14.200 85.430 -2.833 1.00 35.77 H new ATOM 0 HD21 LEU A 151 -13.990 87.544 -0.879 1.00 40.62 H new ATOM 0 HD22 LEU A 151 -13.740 87.803 -2.421 1.00 40.62 H new ATOM 0 HD23 LEU A 151 -14.792 88.684 -1.631 1.00 40.62 H new ATOM 1215 N MET A 152 -18.828 87.627 -5.008 1.00 40.40 N ATOM 1216 CA MET A 152 -19.549 87.769 -6.281 1.00 45.61 C ATOM 1217 C MET A 152 -20.181 89.126 -6.356 1.00 42.87 C ATOM 1218 O MET A 152 -20.172 89.796 -7.383 1.00 48.35 O ATOM 1219 CB MET A 152 -20.689 86.759 -6.464 1.00 53.79 C ATOM 1220 CG MET A 152 -20.341 85.337 -6.902 1.00 64.80 C ATOM 1221 SD MET A 152 -21.680 84.131 -6.502 1.00 87.21 S ATOM 1222 CE MET A 152 -23.194 84.953 -7.072 1.00 82.31 C ATOM 0 H MET A 152 -19.092 86.977 -4.511 1.00 40.40 H new ATOM 0 HA MET A 152 -18.882 87.620 -6.970 1.00 45.61 H new ATOM 0 HB2 MET A 152 -21.168 86.699 -5.623 1.00 53.79 H new ATOM 0 HB3 MET A 152 -21.306 87.126 -7.116 1.00 53.79 H new ATOM 0 HG2 MET A 152 -20.175 85.327 -7.858 1.00 64.80 H new ATOM 0 HG3 MET A 152 -19.519 85.060 -6.468 1.00 64.80 H new ATOM 0 HE1 MET A 152 -23.930 84.321 -7.060 1.00 82.31 H new ATOM 0 HE2 MET A 152 -23.399 85.698 -6.485 1.00 82.31 H new ATOM 0 HE3 MET A 152 -23.064 85.280 -7.976 1.00 82.31 H new ATOM 1223 N ASN A 153 -20.763 89.537 -5.265 1.00 42.16 N ATOM 1224 CA ASN A 153 -21.638 90.695 -5.293 1.00 45.19 C ATOM 1225 C ASN A 153 -20.894 92.012 -5.355 1.00 43.82 C ATOM 1226 O ASN A 153 -21.397 92.960 -5.856 1.00 43.66 O ATOM 1227 CB ASN A 153 -22.521 90.646 -4.065 1.00 50.02 C ATOM 1228 CG ASN A 153 -23.832 91.313 -4.268 1.00 49.75 C ATOM 1229 OD1 ASN A 153 -24.424 91.227 -5.325 1.00 51.46 O ATOM 1230 ND2 ASN A 153 -24.311 91.951 -3.230 1.00 56.16 N ATOM 0 H ASN A 153 -20.672 89.168 -4.494 1.00 42.16 H new ATOM 0 HA ASN A 153 -22.164 90.654 -6.107 1.00 45.19 H new ATOM 0 HB2 ASN A 153 -22.670 89.720 -3.816 1.00 50.02 H new ATOM 0 HB3 ASN A 153 -22.060 91.069 -3.324 1.00 50.02 H new ATOM 0 HD21 ASN A 153 -25.079 92.334 -3.278 1.00 56.16 H new ATOM 0 HD22 ASN A 153 -23.857 91.987 -2.500 1.00 56.16 H new ATOM 1231 N ARG A 154 -19.667 92.033 -4.867 1.00 51.33 N ATOM 1232 CA ARG A 154 -18.816 93.215 -4.887 1.00 50.09 C ATOM 1233 C ARG A 154 -17.814 93.130 -6.044 1.00 53.26 C ATOM 1234 O ARG A 154 -16.813 93.858 -6.077 1.00 59.69 O ATOM 1235 CB ARG A 154 -18.081 93.303 -3.522 1.00 50.20 C ATOM 1236 CG ARG A 154 -19.030 93.574 -2.348 1.00 47.44 C ATOM 1237 CD ARG A 154 -18.427 93.390 -0.967 1.00 43.95 C ATOM 1238 NE ARG A 154 -19.498 93.487 0.028 1.00 43.41 N ATOM 1239 CZ ARG A 154 -19.386 93.202 1.336 1.00 45.09 C ATOM 1240 NH1 ARG A 154 -18.233 92.805 1.890 1.00 39.21 N ATOM 1241 NH2 ARG A 154 -20.461 93.306 2.119 1.00 53.64 N ATOM 0 H ARG A 154 -19.294 91.347 -4.506 1.00 51.33 H new ATOM 0 HA ARG A 154 -19.351 94.013 -5.023 1.00 50.09 H new ATOM 0 HB2 ARG A 154 -17.605 92.473 -3.362 1.00 50.20 H new ATOM 0 HB3 ARG A 154 -17.416 94.008 -3.563 1.00 50.20 H new ATOM 0 HG2 ARG A 154 -19.360 94.483 -2.422 1.00 47.44 H new ATOM 0 HG3 ARG A 154 -19.797 92.986 -2.430 1.00 47.44 H new ATOM 0 HD2 ARG A 154 -17.986 92.528 -0.904 1.00 43.95 H new ATOM 0 HD3 ARG A 154 -17.752 94.066 -0.802 1.00 43.95 H new ATOM 0 HE ARG A 154 -20.268 93.750 -0.250 1.00 43.41 H new ATOM 0 HH11 ARG A 154 -17.528 92.724 1.404 1.00 39.21 H new ATOM 0 HH12 ARG A 154 -18.198 92.631 2.731 1.00 39.21 H new ATOM 0 HH21 ARG A 154 -21.214 93.553 1.785 1.00 53.64 H new ATOM 0 HH22 ARG A 154 -20.401 93.126 2.958 1.00 53.64 H new ATOM 1242 N ARG A 155 -18.054 92.198 -6.964 1.00 54.93 N ATOM 1243 CA ARG A 155 -17.175 91.958 -8.120 1.00 52.48 C ATOM 1244 C ARG A 155 -15.719 91.969 -7.702 1.00 44.14 C ATOM 1245 O ARG A 155 -14.880 92.565 -8.299 1.00 44.59 O ATOM 1246 CB ARG A 155 -17.491 92.959 -9.241 1.00 55.05 C ATOM 1247 CG ARG A 155 -18.950 92.900 -9.689 1.00 62.22 C ATOM 1248 CD ARG A 155 -19.365 94.114 -10.496 1.00 72.69 C ATOM 1249 NE ARG A 155 -19.531 93.755 -11.919 1.00 87.31 N ATOM 1250 CZ ARG A 155 -18.571 93.781 -12.856 1.00 92.79 C ATOM 1251 NH1 ARG A 155 -17.324 94.148 -12.567 1.00 96.93 N ATOM 1252 NH2 ARG A 155 -18.863 93.425 -14.107 1.00 90.07 N ATOM 0 H ARG A 155 -18.739 91.679 -6.938 1.00 54.93 H new ATOM 0 HA ARG A 155 -17.345 91.072 -8.477 1.00 52.48 H new ATOM 0 HB2 ARG A 155 -17.286 93.857 -8.935 1.00 55.05 H new ATOM 0 HB3 ARG A 155 -16.916 92.780 -10.001 1.00 55.05 H new ATOM 0 HG2 ARG A 155 -19.089 92.100 -10.220 1.00 62.22 H new ATOM 0 HG3 ARG A 155 -19.521 92.825 -8.909 1.00 62.22 H new ATOM 0 HD2 ARG A 155 -20.196 94.472 -10.148 1.00 72.69 H new ATOM 0 HD3 ARG A 155 -18.697 94.812 -10.408 1.00 72.69 H new ATOM 0 HE ARG A 155 -20.315 93.506 -12.170 1.00 87.31 H new ATOM 0 HH11 ARG A 155 -17.118 94.376 -11.764 1.00 96.93 H new ATOM 0 HH12 ARG A 155 -16.725 94.157 -13.184 1.00 96.93 H new ATOM 0 HH21 ARG A 155 -19.662 93.181 -14.309 1.00 90.07 H new ATOM 0 HH22 ARG A 155 -18.252 93.440 -14.712 1.00 90.07 H new ATOM 1253 N PHE A 156 -15.439 91.314 -6.619 1.00 40.51 N ATOM 1254 CA PHE A 156 -14.115 91.295 -6.105 1.00 44.44 C ATOM 1255 C PHE A 156 -13.203 90.482 -6.983 1.00 52.00 C ATOM 1256 O PHE A 156 -13.525 89.359 -7.310 1.00 53.07 O ATOM 1257 CB PHE A 156 -14.209 90.623 -4.752 1.00 42.30 C ATOM 1258 CG PHE A 156 -13.015 90.793 -3.885 1.00 36.90 C ATOM 1259 CD1 PHE A 156 -12.931 91.863 -3.007 1.00 34.51 C ATOM 1260 CD2 PHE A 156 -12.024 89.848 -3.899 1.00 36.17 C ATOM 1261 CE1 PHE A 156 -11.866 91.997 -2.151 1.00 33.51 C ATOM 1262 CE2 PHE A 156 -10.940 89.968 -3.057 1.00 38.35 C ATOM 1263 CZ PHE A 156 -10.873 91.045 -2.163 1.00 37.02 C ATOM 0 H PHE A 156 -16.012 90.867 -6.159 1.00 40.51 H new ATOM 0 HA PHE A 156 -13.755 92.195 -6.057 1.00 44.44 H new ATOM 0 HB2 PHE A 156 -14.984 90.973 -4.285 1.00 42.30 H new ATOM 0 HB3 PHE A 156 -14.363 89.675 -4.886 1.00 42.30 H new ATOM 0 HD1 PHE A 156 -13.608 92.501 -2.998 1.00 34.51 H new ATOM 0 HD2 PHE A 156 -12.083 89.123 -4.479 1.00 36.17 H new ATOM 0 HE1 PHE A 156 -11.817 92.722 -1.571 1.00 33.51 H new ATOM 0 HE2 PHE A 156 -10.257 89.338 -3.082 1.00 38.35 H new ATOM 0 HZ PHE A 156 -10.155 91.116 -1.576 1.00 37.02 H new ATOM 1264 N PRO A 157 -12.014 91.001 -7.322 1.00 69.81 N ATOM 1265 CA PRO A 157 -11.204 90.086 -8.170 1.00 76.81 C ATOM 1266 C PRO A 157 -10.532 88.868 -7.410 1.00 80.79 C ATOM 1267 O PRO A 157 -10.878 88.568 -6.271 1.00 75.39 O ATOM 1268 CB PRO A 157 -10.203 91.053 -8.844 1.00 70.94 C ATOM 1269 CG PRO A 157 -10.161 92.282 -7.959 1.00 67.43 C ATOM 1270 CD PRO A 157 -11.319 92.268 -7.007 1.00 63.82 C ATOM 0 HA PRO A 157 -11.750 89.597 -8.806 1.00 76.81 H new ATOM 0 HB2 PRO A 157 -9.325 90.648 -8.920 1.00 70.94 H new ATOM 0 HB3 PRO A 157 -10.489 91.280 -9.743 1.00 70.94 H new ATOM 0 HG2 PRO A 157 -9.327 92.306 -7.465 1.00 67.43 H new ATOM 0 HG3 PRO A 157 -10.191 93.084 -8.504 1.00 67.43 H new ATOM 0 HD2 PRO A 157 -11.022 92.292 -6.084 1.00 63.82 H new ATOM 0 HD3 PRO A 157 -11.898 93.035 -7.139 1.00 63.82 H new ATOM 1271 N GLU A 158 -9.676 88.114 -8.095 1.00 93.17 N ATOM 1272 CA GLU A 158 -8.552 87.350 -7.467 1.00106.29 C ATOM 1273 C GLU A 158 -8.739 85.874 -6.966 1.00110.93 C ATOM 1274 O GLU A 158 -8.507 84.922 -7.720 1.00104.79 O ATOM 1275 CB GLU A 158 -7.843 88.210 -6.374 1.00 98.49 C ATOM 1276 CG GLU A 158 -7.297 89.567 -6.843 1.00 91.38 C ATOM 1277 CD GLU A 158 -6.217 89.480 -7.933 1.00 89.48 C ATOM 1278 OE1 GLU A 158 -5.370 88.574 -7.841 1.00 96.87 O ATOM 1279 OE2 GLU A 158 -6.183 90.321 -8.877 1.00 69.29 O ATOM 0 H GLU A 158 -9.718 88.019 -8.949 1.00 93.17 H new ATOM 0 HA GLU A 158 -8.007 87.191 -8.254 1.00106.29 H new ATOM 0 HB2 GLU A 158 -8.471 88.365 -5.651 1.00 98.49 H new ATOM 0 HB3 GLU A 158 -7.108 87.694 -6.006 1.00 98.49 H new ATOM 0 HG2 GLU A 158 -8.035 90.101 -7.177 1.00 91.38 H new ATOM 0 HG3 GLU A 158 -6.930 90.037 -6.078 1.00 91.38 H new ATOM 1280 N GLU A 159 -9.099 85.698 -5.694 1.00119.37 N ATOM 1281 CA GLU A 159 -8.875 84.429 -4.945 1.00117.13 C ATOM 1282 C GLU A 159 -7.493 83.810 -5.158 1.00 98.71 C ATOM 1283 O GLU A 159 -7.192 82.780 -4.550 1.00 86.86 O ATOM 1284 CB GLU A 159 -9.922 83.357 -5.248 1.00121.09 C ATOM 1285 CG GLU A 159 -11.332 83.863 -5.469 1.00127.24 C ATOM 1286 CD GLU A 159 -11.761 83.741 -6.926 1.00129.38 C ATOM 1287 OE1 GLU A 159 -11.079 84.290 -7.828 1.00116.73 O ATOM 1288 OE2 GLU A 159 -12.788 83.078 -7.171 1.00124.03 O ATOM 0 H GLU A 159 -9.484 86.309 -5.227 1.00119.37 H new ATOM 0 HA GLU A 159 -8.951 84.709 -4.020 1.00117.13 H new ATOM 0 HB2 GLU A 159 -9.643 82.870 -6.039 1.00121.09 H new ATOM 0 HB3 GLU A 159 -9.934 82.723 -4.514 1.00121.09 H new ATOM 0 HG2 GLU A 159 -11.946 83.362 -4.909 1.00127.24 H new ATOM 0 HG3 GLU A 159 -11.389 84.791 -5.193 1.00127.24 H new TER 1289 GLU A 159 ATOM 1290 N GLU B 8 -10.374 77.864 9.779 1.00 72.54 N ATOM 1291 CA GLU B 8 -9.672 78.863 10.650 1.00 82.65 C ATOM 1292 C GLU B 8 -9.470 80.211 9.974 1.00 77.83 C ATOM 1293 O GLU B 8 -9.498 80.333 8.744 1.00 63.50 O ATOM 1294 CB GLU B 8 -8.293 78.358 11.119 1.00 91.76 C ATOM 1295 CG GLU B 8 -8.262 77.871 12.548 1.00 96.47 C ATOM 1296 CD GLU B 8 -7.088 76.916 12.814 1.00 98.81 C ATOM 1297 OE1 GLU B 8 -6.116 76.854 12.018 1.00 91.43 O ATOM 1298 OE2 GLU B 8 -7.147 76.191 13.820 1.00 87.15 O ATOM 0 HA GLU B 8 -10.262 78.977 11.411 1.00 82.65 H new ATOM 0 HB2 GLU B 8 -8.009 77.636 10.536 1.00 91.76 H new ATOM 0 HB3 GLU B 8 -7.647 79.074 11.018 1.00 91.76 H new ATOM 0 HG2 GLU B 8 -8.198 78.632 13.146 1.00 96.47 H new ATOM 0 HG3 GLU B 8 -9.096 77.419 12.752 1.00 96.47 H new ATOM 1299 N GLU B 9 -9.232 81.207 10.824 1.00 74.27 N ATOM 1300 CA GLU B 9 -8.948 82.580 10.404 1.00 69.97 C ATOM 1301 C GLU B 9 -7.946 82.667 9.212 1.00 63.27 C ATOM 1302 O GLU B 9 -6.914 82.004 9.205 1.00 60.76 O ATOM 1303 CB GLU B 9 -8.448 83.420 11.609 1.00 72.03 C ATOM 1304 CG GLU B 9 -9.454 83.574 12.765 1.00 79.41 C ATOM 1305 CD GLU B 9 -9.392 84.941 13.502 1.00 86.85 C ATOM 1306 OE1 GLU B 9 -10.439 85.417 14.032 1.00 72.05 O ATOM 1307 OE2 GLU B 9 -8.306 85.567 13.551 1.00 86.29 O ATOM 0 H GLU B 9 -9.231 81.103 11.678 1.00 74.27 H new ATOM 0 HA GLU B 9 -9.784 82.950 10.079 1.00 69.97 H new ATOM 0 HB2 GLU B 9 -7.639 83.012 11.956 1.00 72.03 H new ATOM 0 HB3 GLU B 9 -8.206 84.304 11.290 1.00 72.03 H new ATOM 0 HG2 GLU B 9 -10.350 83.449 12.416 1.00 79.41 H new ATOM 0 HG3 GLU B 9 -9.299 82.866 13.409 1.00 79.41 H new ATOM 1308 N PHE B 10 -8.268 83.471 8.200 1.00 50.17 N ATOM 1309 CA PHE B 10 -7.316 83.772 7.141 1.00 45.42 C ATOM 1310 C PHE B 10 -7.375 85.240 6.827 1.00 42.79 C ATOM 1311 O PHE B 10 -8.380 85.907 7.094 1.00 45.25 O ATOM 1312 CB PHE B 10 -7.578 82.946 5.884 1.00 43.48 C ATOM 1313 CG PHE B 10 -8.809 83.348 5.148 1.00 43.35 C ATOM 1314 CD1 PHE B 10 -10.059 82.920 5.585 1.00 41.46 C ATOM 1315 CD2 PHE B 10 -8.730 84.168 4.037 1.00 45.26 C ATOM 1316 CE1 PHE B 10 -11.219 83.311 4.937 1.00 38.95 C ATOM 1317 CE2 PHE B 10 -9.891 84.569 3.365 1.00 46.42 C ATOM 1318 CZ PHE B 10 -11.136 84.148 3.829 1.00 43.80 C ATOM 0 H PHE B 10 -9.034 83.851 8.111 1.00 50.17 H new ATOM 0 HA PHE B 10 -6.428 83.537 7.454 1.00 45.42 H new ATOM 0 HB2 PHE B 10 -6.815 83.025 5.290 1.00 43.48 H new ATOM 0 HB3 PHE B 10 -7.649 82.011 6.131 1.00 43.48 H new ATOM 0 HD1 PHE B 10 -10.117 82.361 6.326 1.00 41.46 H new ATOM 0 HD2 PHE B 10 -7.899 84.455 3.734 1.00 45.26 H new ATOM 0 HE1 PHE B 10 -12.047 83.016 5.240 1.00 38.95 H new ATOM 0 HE2 PHE B 10 -9.832 85.113 2.613 1.00 46.42 H new ATOM 0 HZ PHE B 10 -11.911 84.427 3.398 1.00 43.80 H new ATOM 1319 N VAL B 11 -6.286 85.747 6.271 1.00 40.40 N ATOM 1320 CA VAL B 11 -6.272 87.107 5.711 1.00 39.59 C ATOM 1321 C VAL B 11 -5.528 87.135 4.391 1.00 32.66 C ATOM 1322 O VAL B 11 -4.464 86.582 4.280 1.00 36.23 O ATOM 1323 CB VAL B 11 -5.684 88.101 6.718 1.00 40.78 C ATOM 1324 CG1 VAL B 11 -4.415 87.550 7.298 1.00 45.03 C ATOM 1325 CG2 VAL B 11 -5.418 89.436 6.052 1.00 41.83 C ATOM 0 H VAL B 11 -5.539 85.326 6.204 1.00 40.40 H new ATOM 0 HA VAL B 11 -7.186 87.379 5.535 1.00 39.59 H new ATOM 0 HB VAL B 11 -6.326 88.237 7.433 1.00 40.78 H new ATOM 0 HG11 VAL B 11 -4.048 88.184 7.934 1.00 45.03 H new ATOM 0 HG12 VAL B 11 -4.602 86.712 7.748 1.00 45.03 H new ATOM 0 HG13 VAL B 11 -3.773 87.398 6.587 1.00 45.03 H new ATOM 0 HG21 VAL B 11 -5.047 90.053 6.701 1.00 41.83 H new ATOM 0 HG22 VAL B 11 -4.788 89.315 5.324 1.00 41.83 H new ATOM 0 HG23 VAL B 11 -6.249 89.795 5.703 1.00 41.83 H new ATOM 1326 N SER B 12 -6.098 87.728 3.374 1.00 29.88 N ATOM 1327 CA SER B 12 -5.454 87.743 2.065 1.00 33.08 C ATOM 1328 C SER B 12 -5.463 89.132 1.517 1.00 34.30 C ATOM 1329 O SER B 12 -6.444 89.862 1.641 1.00 35.70 O ATOM 1330 CB SER B 12 -6.197 86.858 1.085 1.00 35.72 C ATOM 1331 OG SER B 12 -6.295 85.570 1.637 1.00 39.10 O ATOM 0 H SER B 12 -6.857 88.131 3.408 1.00 29.88 H new ATOM 0 HA SER B 12 -4.547 87.418 2.178 1.00 33.08 H new ATOM 0 HB2 SER B 12 -7.080 87.218 0.908 1.00 35.72 H new ATOM 0 HB3 SER B 12 -5.728 86.827 0.236 1.00 35.72 H new ATOM 0 HG SER B 12 -6.707 85.067 1.105 1.00 39.10 H new ATOM 1332 N VAL B 13 -4.370 89.498 0.872 1.00 37.34 N ATOM 1333 CA VAL B 13 -4.220 90.853 0.349 1.00 36.34 C ATOM 1334 C VAL B 13 -3.661 90.784 -1.052 1.00 36.12 C ATOM 1335 O VAL B 13 -2.809 89.972 -1.341 1.00 37.35 O ATOM 1336 CB VAL B 13 -3.333 91.706 1.274 1.00 34.07 C ATOM 1337 CG1 VAL B 13 -2.003 91.038 1.538 1.00 33.90 C ATOM 1338 CG2 VAL B 13 -3.122 93.080 0.688 1.00 34.63 C ATOM 0 H VAL B 13 -3.700 88.980 0.724 1.00 37.34 H new ATOM 0 HA VAL B 13 -5.088 91.285 0.317 1.00 36.34 H new ATOM 0 HB VAL B 13 -3.795 91.795 2.122 1.00 34.07 H new ATOM 0 HG11 VAL B 13 -1.469 91.599 2.122 1.00 33.90 H new ATOM 0 HG12 VAL B 13 -2.151 90.178 1.962 1.00 33.90 H new ATOM 0 HG13 VAL B 13 -1.534 90.907 0.699 1.00 33.90 H new ATOM 0 HG21 VAL B 13 -2.562 93.603 1.283 1.00 34.63 H new ATOM 0 HG22 VAL B 13 -2.689 93.000 -0.176 1.00 34.63 H new ATOM 0 HG23 VAL B 13 -3.979 93.521 0.580 1.00 34.63 H new ATOM 1339 N TRP B 14 -4.166 91.603 -1.939 1.00 38.08 N ATOM 1340 CA TRP B 14 -3.550 91.726 -3.250 1.00 42.59 C ATOM 1341 C TRP B 14 -3.381 93.194 -3.521 1.00 37.57 C ATOM 1342 O TRP B 14 -4.180 94.015 -3.079 1.00 39.94 O ATOM 1343 CB TRP B 14 -4.413 91.087 -4.358 1.00 51.66 C ATOM 1344 CG TRP B 14 -4.776 89.643 -4.151 1.00 59.07 C ATOM 1345 CD1 TRP B 14 -4.165 88.534 -4.700 1.00 65.21 C ATOM 1346 CD2 TRP B 14 -5.851 89.151 -3.344 1.00 71.20 C ATOM 1347 NE1 TRP B 14 -4.792 87.386 -4.261 1.00 71.22 N ATOM 1348 CE2 TRP B 14 -5.837 87.738 -3.442 1.00 73.83 C ATOM 1349 CE3 TRP B 14 -6.831 89.766 -2.532 1.00 68.60 C ATOM 1350 CZ2 TRP B 14 -6.768 86.938 -2.765 1.00 71.12 C ATOM 1351 CZ3 TRP B 14 -7.758 88.964 -1.867 1.00 62.97 C ATOM 1352 CH2 TRP B 14 -7.716 87.574 -1.985 1.00 65.37 C ATOM 0 H TRP B 14 -4.859 92.097 -1.813 1.00 38.08 H new ATOM 0 HA TRP B 14 -2.700 91.259 -3.253 1.00 42.59 H new ATOM 0 HB2 TRP B 14 -5.232 91.600 -4.444 1.00 51.66 H new ATOM 0 HB3 TRP B 14 -3.939 91.167 -5.201 1.00 51.66 H new ATOM 0 HD1 TRP B 14 -3.438 88.557 -5.280 1.00 65.21 H new ATOM 0 HE1 TRP B 14 -4.566 86.582 -4.466 1.00 71.22 H new ATOM 0 HE3 TRP B 14 -6.857 90.691 -2.443 1.00 68.60 H new ATOM 0 HZ2 TRP B 14 -6.749 86.011 -2.838 1.00 71.12 H new ATOM 0 HZ3 TRP B 14 -8.412 89.360 -1.338 1.00 62.97 H new ATOM 0 HH2 TRP B 14 -8.342 87.062 -1.527 1.00 65.37 H new ATOM 1353 N VAL B 15 -2.344 93.516 -4.265 1.00 36.37 N ATOM 1354 CA VAL B 15 -2.155 94.830 -4.819 1.00 33.99 C ATOM 1355 C VAL B 15 -2.201 94.637 -6.325 1.00 32.37 C ATOM 1356 O VAL B 15 -1.500 93.798 -6.840 1.00 33.64 O ATOM 1357 CB VAL B 15 -0.793 95.374 -4.438 1.00 34.11 C ATOM 1358 CG1 VAL B 15 -0.609 96.773 -5.042 1.00 34.40 C ATOM 1359 CG2 VAL B 15 -0.621 95.390 -2.931 1.00 32.62 C ATOM 0 H VAL B 15 -1.717 92.962 -4.465 1.00 36.37 H new ATOM 0 HA VAL B 15 -2.827 95.451 -4.496 1.00 33.99 H new ATOM 0 HB VAL B 15 -0.105 94.792 -4.798 1.00 34.11 H new ATOM 0 HG11 VAL B 15 0.263 97.119 -4.797 1.00 34.40 H new ATOM 0 HG12 VAL B 15 -0.676 96.720 -6.008 1.00 34.40 H new ATOM 0 HG13 VAL B 15 -1.298 97.365 -4.703 1.00 34.40 H new ATOM 0 HG21 VAL B 15 0.256 95.741 -2.709 1.00 32.62 H new ATOM 0 HG22 VAL B 15 -1.304 95.952 -2.533 1.00 32.62 H new ATOM 0 HG23 VAL B 15 -0.704 94.487 -2.586 1.00 32.62 H new ATOM 1360 N ARG B 16 -3.031 95.390 -7.017 1.00 30.54 N ATOM 1361 CA ARG B 16 -3.308 95.113 -8.393 1.00 30.02 C ATOM 1362 C ARG B 16 -3.814 96.356 -9.105 1.00 30.86 C ATOM 1363 O ARG B 16 -3.975 97.407 -8.497 1.00 33.46 O ATOM 1364 CB ARG B 16 -4.392 94.075 -8.453 1.00 31.05 C ATOM 1365 CG ARG B 16 -5.719 94.638 -7.992 1.00 36.20 C ATOM 1366 CD ARG B 16 -6.880 93.628 -7.963 1.00 42.74 C ATOM 1367 NE ARG B 16 -7.192 93.031 -9.262 1.00 45.84 N ATOM 1368 CZ ARG B 16 -7.905 93.630 -10.218 1.00 49.10 C ATOM 1369 NH1 ARG B 16 -8.406 94.871 -10.062 1.00 45.97 N ATOM 1370 NH2 ARG B 16 -8.110 92.985 -11.358 1.00 52.01 N ATOM 0 H ARG B 16 -3.445 96.073 -6.698 1.00 30.54 H new ATOM 0 HA ARG B 16 -2.493 94.809 -8.822 1.00 30.02 H new ATOM 0 HB2 ARG B 16 -4.476 93.745 -9.361 1.00 31.05 H new ATOM 0 HB3 ARG B 16 -4.149 93.318 -7.897 1.00 31.05 H new ATOM 0 HG2 ARG B 16 -5.607 95.007 -7.102 1.00 36.20 H new ATOM 0 HG3 ARG B 16 -5.963 95.374 -8.575 1.00 36.20 H new ATOM 0 HD2 ARG B 16 -6.663 92.919 -7.337 1.00 42.74 H new ATOM 0 HD3 ARG B 16 -7.673 94.072 -7.624 1.00 42.74 H new ATOM 0 HE ARG B 16 -6.895 92.239 -9.420 1.00 45.84 H new ATOM 0 HH11 ARG B 16 -8.270 95.301 -9.330 1.00 45.97 H new ATOM 0 HH12 ARG B 16 -8.862 95.233 -10.695 1.00 45.97 H new ATOM 0 HH21 ARG B 16 -7.786 92.196 -11.470 1.00 52.01 H new ATOM 0 HH22 ARG B 16 -8.567 93.355 -11.985 1.00 52.01 H new ATOM 1371 N ASP B 17 -4.062 96.216 -10.403 1.00 32.91 N ATOM 1372 CA ASP B 17 -4.694 97.238 -11.229 1.00 33.83 C ATOM 1373 C ASP B 17 -4.001 98.568 -11.078 1.00 33.87 C ATOM 1374 O ASP B 17 -4.610 99.581 -10.687 1.00 32.62 O ATOM 1375 CB ASP B 17 -6.173 97.375 -10.893 1.00 39.63 C ATOM 1376 CG ASP B 17 -6.962 98.200 -11.936 1.00 47.82 C ATOM 1377 OD1 ASP B 17 -6.720 97.980 -13.150 1.00 57.95 O ATOM 1378 OD2 ASP B 17 -7.830 99.047 -11.551 1.00 44.29 O ATOM 0 H ASP B 17 -3.861 95.503 -10.840 1.00 32.91 H new ATOM 0 HA ASP B 17 -4.613 96.955 -12.153 1.00 33.83 H new ATOM 0 HB2 ASP B 17 -6.566 96.491 -10.824 1.00 39.63 H new ATOM 0 HB3 ASP B 17 -6.263 97.794 -10.023 1.00 39.63 H new ATOM 1379 N PRO B 18 -2.705 98.598 -11.380 1.00 33.46 N ATOM 1380 CA PRO B 18 -2.039 99.895 -11.447 1.00 35.16 C ATOM 1381 C PRO B 18 -2.755 100.825 -12.446 1.00 33.71 C ATOM 1382 O PRO B 18 -3.187 100.371 -13.457 1.00 34.15 O ATOM 1383 CB PRO B 18 -0.661 99.531 -11.968 1.00 32.23 C ATOM 1384 CG PRO B 18 -0.965 98.406 -12.851 1.00 33.74 C ATOM 1385 CD PRO B 18 -1.908 97.578 -12.035 1.00 33.31 C ATOM 0 HA PRO B 18 -2.028 100.366 -10.599 1.00 35.16 H new ATOM 0 HB2 PRO B 18 -0.246 100.267 -12.445 1.00 32.23 H new ATOM 0 HB3 PRO B 18 -0.056 99.279 -11.253 1.00 32.23 H new ATOM 0 HG2 PRO B 18 -1.372 98.701 -13.680 1.00 33.74 H new ATOM 0 HG3 PRO B 18 -0.166 97.910 -13.088 1.00 33.74 H new ATOM 0 HD2 PRO B 18 -2.449 96.992 -12.587 1.00 33.31 H new ATOM 0 HD3 PRO B 18 -1.441 97.016 -11.397 1.00 33.31 H new ATOM 1386 N ARG B 19 -2.877 102.095 -12.135 1.00 35.88 N ATOM 1387 CA ARG B 19 -3.499 103.044 -13.022 1.00 40.70 C ATOM 1388 C ARG B 19 -2.819 104.345 -12.826 1.00 42.90 C ATOM 1389 O ARG B 19 -2.495 104.692 -11.692 1.00 42.13 O ATOM 1390 CB ARG B 19 -4.962 103.274 -12.684 1.00 45.12 C ATOM 1391 CG ARG B 19 -5.833 102.154 -13.142 1.00 53.66 C ATOM 1392 CD ARG B 19 -7.290 102.593 -13.233 1.00 73.03 C ATOM 1393 NE ARG B 19 -8.134 101.399 -13.228 1.00 83.80 N ATOM 1394 CZ ARG B 19 -8.188 100.517 -14.223 1.00 86.57 C ATOM 1395 NH1 ARG B 19 -7.492 100.681 -15.354 1.00 80.40 N ATOM 1396 NH2 ARG B 19 -8.956 99.450 -14.090 1.00 91.47 N ATOM 0 H ARG B 19 -2.598 102.434 -11.395 1.00 35.88 H new ATOM 0 HA ARG B 19 -3.432 102.699 -13.926 1.00 40.70 H new ATOM 0 HB2 ARG B 19 -5.057 103.383 -11.725 1.00 45.12 H new ATOM 0 HB3 ARG B 19 -5.260 104.101 -13.094 1.00 45.12 H new ATOM 0 HG2 ARG B 19 -5.532 101.840 -14.009 1.00 53.66 H new ATOM 0 HG3 ARG B 19 -5.755 101.408 -12.527 1.00 53.66 H new ATOM 0 HD2 ARG B 19 -7.516 103.169 -12.486 1.00 73.03 H new ATOM 0 HD3 ARG B 19 -7.438 103.107 -14.042 1.00 73.03 H new ATOM 0 HE ARG B 19 -8.627 101.258 -12.538 1.00 83.80 H new ATOM 0 HH11 ARG B 19 -6.991 101.373 -15.454 1.00 80.40 H new ATOM 0 HH12 ARG B 19 -7.546 100.095 -15.981 1.00 80.40 H new ATOM 0 HH21 ARG B 19 -9.411 99.335 -13.369 1.00 91.47 H new ATOM 0 HH22 ARG B 19 -9.001 98.871 -14.724 1.00 91.47 H new ATOM 1397 N ILE B 20 -2.651 105.062 -13.943 1.00 45.36 N ATOM 1398 CA ILE B 20 -2.204 106.459 -13.977 1.00 43.02 C ATOM 1399 C ILE B 20 -3.312 107.434 -13.604 1.00 41.77 C ATOM 1400 O ILE B 20 -4.418 107.370 -14.103 1.00 38.83 O ATOM 1401 CB ILE B 20 -1.613 106.802 -15.359 1.00 44.36 C ATOM 1402 CG1 ILE B 20 -0.104 106.584 -15.289 1.00 50.68 C ATOM 1403 CG2 ILE B 20 -1.914 108.226 -15.792 1.00 44.82 C ATOM 1404 CD1 ILE B 20 0.566 106.245 -16.606 1.00 55.00 C ATOM 0 H ILE B 20 -2.799 104.738 -14.726 1.00 45.36 H new ATOM 0 HA ILE B 20 -1.510 106.554 -13.306 1.00 43.02 H new ATOM 0 HB ILE B 20 -2.024 106.225 -16.022 1.00 44.36 H new ATOM 0 HG12 ILE B 20 0.307 107.387 -14.932 1.00 50.68 H new ATOM 0 HG13 ILE B 20 0.075 105.869 -14.659 1.00 50.68 H new ATOM 0 HG21 ILE B 20 -1.521 108.389 -16.664 1.00 44.82 H new ATOM 0 HG22 ILE B 20 -2.874 108.353 -15.841 1.00 44.82 H new ATOM 0 HG23 ILE B 20 -1.539 108.846 -15.148 1.00 44.82 H new ATOM 0 HD11 ILE B 20 1.518 106.125 -16.464 1.00 55.00 H new ATOM 0 HD12 ILE B 20 0.187 105.426 -16.961 1.00 55.00 H new ATOM 0 HD13 ILE B 20 0.422 106.967 -17.238 1.00 55.00 H new ATOM 1405 N GLN B 21 -2.979 108.379 -12.757 1.00 43.53 N ATOM 1406 CA GLN B 21 -3.935 109.338 -12.270 1.00 46.59 C ATOM 1407 C GLN B 21 -3.446 110.668 -12.788 1.00 53.89 C ATOM 1408 O GLN B 21 -2.282 111.021 -12.596 1.00 53.51 O ATOM 1409 CB GLN B 21 -3.978 109.287 -10.747 1.00 46.70 C ATOM 1410 CG GLN B 21 -4.388 107.929 -10.238 1.00 47.60 C ATOM 1411 CD GLN B 21 -5.765 107.525 -10.730 1.00 44.65 C ATOM 1412 OE1 GLN B 21 -6.580 108.359 -11.080 1.00 39.15 O ATOM 1413 NE2 GLN B 21 -6.006 106.238 -10.795 1.00 47.11 N ATOM 0 H GLN B 21 -2.184 108.483 -12.445 1.00 43.53 H new ATOM 0 HA GLN B 21 -4.842 109.167 -12.570 1.00 46.59 H new ATOM 0 HB2 GLN B 21 -3.104 109.514 -10.392 1.00 46.70 H new ATOM 0 HB3 GLN B 21 -4.600 109.955 -10.419 1.00 46.70 H new ATOM 0 HG2 GLN B 21 -3.738 107.268 -10.523 1.00 47.60 H new ATOM 0 HG3 GLN B 21 -4.381 107.933 -9.268 1.00 47.60 H new ATOM 0 HE21 GLN B 21 -5.408 105.675 -10.539 1.00 47.11 H new ATOM 0 HE22 GLN B 21 -6.762 105.957 -11.093 1.00 47.11 H new ATOM 1414 N LYS B 22 -4.339 111.369 -13.477 1.00 67.90 N ATOM 1415 CA LYS B 22 -4.032 112.518 -14.323 1.00 81.02 C ATOM 1416 C LYS B 22 -4.892 113.608 -13.771 1.00 85.44 C ATOM 1417 O LYS B 22 -5.984 113.799 -14.294 1.00 84.70 O ATOM 1418 CB LYS B 22 -4.483 112.229 -15.788 1.00 88.39 C ATOM 1419 CG LYS B 22 -3.411 112.003 -16.850 1.00 98.92 C ATOM 1420 CD LYS B 22 -4.056 111.594 -18.188 1.00107.64 C ATOM 1421 CE LYS B 22 -3.189 110.639 -19.027 1.00114.42 C ATOM 1422 NZ LYS B 22 -1.729 110.984 -19.092 1.00116.96 N ATOM 0 H LYS B 22 -5.178 111.180 -13.464 1.00 67.90 H new ATOM 0 HA LYS B 22 -3.086 112.732 -14.332 1.00 81.02 H new ATOM 0 HB2 LYS B 22 -5.052 111.444 -15.772 1.00 88.39 H new ATOM 0 HB3 LYS B 22 -5.034 112.972 -16.079 1.00 88.39 H new ATOM 0 HG2 LYS B 22 -2.891 112.813 -16.970 1.00 98.92 H new ATOM 0 HG3 LYS B 22 -2.797 111.312 -16.556 1.00 98.92 H new ATOM 0 HD2 LYS B 22 -4.910 111.170 -18.010 1.00107.64 H new ATOM 0 HD3 LYS B 22 -4.239 112.393 -18.707 1.00107.64 H new ATOM 0 HE2 LYS B 22 -3.278 109.743 -18.665 1.00114.42 H new ATOM 0 HE3 LYS B 22 -3.541 110.616 -19.931 1.00114.42 H new ATOM 0 HZ1 LYS B 22 -1.314 110.419 -19.640 1.00116.96 H new ATOM 0 HZ2 LYS B 22 -1.633 111.815 -19.395 1.00116.96 H new ATOM 0 HZ3 LYS B 22 -1.373 110.923 -18.279 1.00116.96 H new ATOM 1423 N GLU B 23 -4.483 114.256 -12.678 1.00 97.35 N ATOM 1424 CA GLU B 23 -5.180 115.467 -12.235 1.00113.55 C ATOM 1425 C GLU B 23 -4.860 116.527 -13.283 1.00130.54 C ATOM 1426 O GLU B 23 -3.704 116.638 -13.709 1.00140.36 O ATOM 1427 CB GLU B 23 -4.772 115.904 -10.828 1.00116.65 C ATOM 1428 CG GLU B 23 -5.251 114.920 -9.768 1.00113.05 C ATOM 1429 CD GLU B 23 -4.614 115.127 -8.399 1.00113.96 C ATOM 1430 OE1 GLU B 23 -5.348 115.112 -7.381 1.00102.88 O ATOM 1431 OE2 GLU B 23 -3.375 115.298 -8.334 1.00120.94 O ATOM 0 H GLU B 23 -3.818 114.018 -12.188 1.00 97.35 H new ATOM 0 HA GLU B 23 -6.135 115.312 -12.166 1.00113.55 H new ATOM 0 HB2 GLU B 23 -3.806 115.985 -10.782 1.00116.65 H new ATOM 0 HB3 GLU B 23 -5.139 116.783 -10.643 1.00116.65 H new ATOM 0 HG2 GLU B 23 -6.214 114.995 -9.681 1.00113.05 H new ATOM 0 HG3 GLU B 23 -5.063 114.017 -10.069 1.00113.05 H new ATOM 1432 N ASP B 24 -5.876 117.293 -13.688 1.00140.86 N ATOM 1433 CA ASP B 24 -5.857 118.140 -14.910 1.00141.79 C ATOM 1434 C ASP B 24 -4.448 118.465 -15.511 1.00133.74 C ATOM 1435 O ASP B 24 -4.231 118.354 -16.730 1.00106.99 O ATOM 1436 CB ASP B 24 -6.644 119.457 -14.632 1.00143.85 C ATOM 1437 CG ASP B 24 -8.157 119.380 -14.988 1.00133.40 C ATOM 1438 OD1 ASP B 24 -8.619 118.409 -15.622 1.00115.63 O ATOM 1439 OD2 ASP B 24 -8.885 120.340 -14.646 1.00117.62 O ATOM 0 H ASP B 24 -6.618 117.342 -13.256 1.00140.86 H new ATOM 0 HA ASP B 24 -6.283 117.603 -15.596 1.00141.79 H new ATOM 0 HB2 ASP B 24 -6.554 119.684 -13.693 1.00143.85 H new ATOM 0 HB3 ASP B 24 -6.239 120.178 -15.139 1.00143.85 H new ATOM 1440 N PHE B 25 -3.491 118.763 -14.629 1.00141.81 N ATOM 1441 CA PHE B 25 -2.387 119.703 -14.877 1.00135.69 C ATOM 1442 C PHE B 25 -1.147 119.019 -15.562 1.00109.98 C ATOM 1443 O PHE B 25 -1.311 118.246 -16.508 1.00 77.20 O ATOM 1444 CB PHE B 25 -2.088 120.404 -13.505 1.00143.09 C ATOM 1445 CG PHE B 25 -3.354 120.688 -12.648 1.00142.32 C ATOM 1446 CD1 PHE B 25 -3.852 119.751 -11.711 1.00130.58 C ATOM 1447 CD2 PHE B 25 -4.063 121.887 -12.795 1.00138.24 C ATOM 1448 CE1 PHE B 25 -5.009 120.014 -10.968 1.00117.69 C ATOM 1449 CE2 PHE B 25 -5.216 122.149 -12.045 1.00123.70 C ATOM 1450 CZ PHE B 25 -5.683 121.215 -11.128 1.00118.57 C ATOM 0 H PHE B 25 -3.464 118.413 -13.844 1.00141.81 H new ATOM 0 HA PHE B 25 -2.632 120.377 -15.530 1.00135.69 H new ATOM 0 HB2 PHE B 25 -1.481 119.846 -12.993 1.00143.09 H new ATOM 0 HB3 PHE B 25 -1.629 121.242 -13.674 1.00143.09 H new ATOM 0 HD1 PHE B 25 -3.403 118.946 -11.587 1.00130.58 H new ATOM 0 HD2 PHE B 25 -3.762 122.522 -13.404 1.00138.24 H new ATOM 0 HE1 PHE B 25 -5.327 119.381 -10.365 1.00117.69 H new ATOM 0 HE2 PHE B 25 -5.671 122.952 -12.161 1.00123.70 H new ATOM 0 HZ PHE B 25 -6.444 121.395 -10.624 1.00118.57 H new ATOM 1451 N TRP B 26 0.077 119.332 -15.133 1.00115.86 N ATOM 1452 CA TRP B 26 1.265 118.512 -15.471 1.00123.27 C ATOM 1453 C TRP B 26 1.466 117.487 -14.348 1.00125.42 C ATOM 1454 O TRP B 26 2.601 117.120 -14.010 1.00120.78 O ATOM 1455 CB TRP B 26 2.554 119.349 -15.553 1.00128.45 C ATOM 1456 CG TRP B 26 2.783 120.224 -16.781 1.00131.24 C ATOM 1457 CD1 TRP B 26 3.172 121.550 -16.795 1.00118.52 C ATOM 1458 CD2 TRP B 26 2.695 119.819 -18.162 1.00139.89 C ATOM 1459 NE1 TRP B 26 3.305 121.986 -18.092 1.00121.94 N ATOM 1460 CE2 TRP B 26 3.018 120.952 -18.952 1.00137.60 C ATOM 1461 CE3 TRP B 26 2.354 118.616 -18.809 1.00133.21 C ATOM 1462 CZ2 TRP B 26 3.011 120.912 -20.369 1.00131.69 C ATOM 1463 CZ3 TRP B 26 2.350 118.576 -20.218 1.00125.55 C ATOM 1464 CH2 TRP B 26 2.678 119.719 -20.976 1.00126.27 C ATOM 0 H TRP B 26 0.250 120.017 -14.642 1.00115.86 H new ATOM 0 HA TRP B 26 1.105 118.103 -16.336 1.00123.27 H new ATOM 0 HB2 TRP B 26 2.581 119.925 -14.773 1.00128.45 H new ATOM 0 HB3 TRP B 26 3.305 118.740 -15.482 1.00128.45 H new ATOM 0 HD1 TRP B 26 3.322 122.070 -16.039 1.00118.52 H new ATOM 0 HE1 TRP B 26 3.532 122.781 -18.329 1.00121.94 H new ATOM 0 HE3 TRP B 26 2.135 117.860 -18.314 1.00133.21 H new ATOM 0 HZ2 TRP B 26 3.224 121.665 -20.872 1.00131.69 H new ATOM 0 HZ3 TRP B 26 2.128 117.785 -20.654 1.00125.55 H new ATOM 0 HH2 TRP B 26 2.670 119.667 -21.905 1.00126.27 H new ATOM 1465 N HIS B 27 0.355 117.053 -13.757 1.00122.01 N ATOM 1466 CA HIS B 27 0.350 116.263 -12.519 1.00113.26 C ATOM 1467 C HIS B 27 -0.015 114.813 -12.816 1.00 93.43 C ATOM 1468 O HIS B 27 -1.149 114.524 -13.230 1.00107.19 O ATOM 1469 CB HIS B 27 -0.653 116.858 -11.520 1.00114.34 C ATOM 1470 CG HIS B 27 -0.170 118.107 -10.871 1.00128.31 C ATOM 1471 ND1 HIS B 27 0.481 119.100 -11.572 1.00131.99 N ATOM 1472 CD2 HIS B 27 -0.233 118.527 -9.587 1.00142.92 C ATOM 1473 CE1 HIS B 27 0.799 120.080 -10.748 1.00139.42 C ATOM 1474 NE2 HIS B 27 0.381 119.755 -9.537 1.00152.81 N ATOM 0 H HIS B 27 -0.432 117.210 -14.067 1.00122.01 H new ATOM 0 HA HIS B 27 1.239 116.289 -12.132 1.00113.26 H new ATOM 0 HB2 HIS B 27 -1.487 117.042 -11.980 1.00114.34 H new ATOM 0 HB3 HIS B 27 -0.846 116.199 -10.835 1.00114.34 H new ATOM 0 HD2 HIS B 27 -0.619 118.071 -8.874 1.00142.92 H new ATOM 0 HE1 HIS B 27 1.241 120.865 -10.979 1.00139.42 H new ATOM 0 HE2 HIS B 27 0.478 120.236 -8.830 1.00152.81 H new ATOM 1475 N SER B 28 0.923 113.896 -12.615 1.00 60.10 N ATOM 1476 CA SER B 28 0.602 112.500 -12.827 1.00 53.37 C ATOM 1477 C SER B 28 1.274 111.565 -11.887 1.00 50.09 C ATOM 1478 O SER B 28 2.453 111.740 -11.540 1.00 49.93 O ATOM 1479 CB SER B 28 0.968 112.029 -14.217 1.00 53.73 C ATOM 1480 OG SER B 28 -0.063 112.334 -15.121 1.00 56.59 O ATOM 0 H SER B 28 1.729 114.058 -12.363 1.00 60.10 H new ATOM 0 HA SER B 28 -0.357 112.475 -12.680 1.00 53.37 H new ATOM 0 HB2 SER B 28 1.793 112.452 -14.502 1.00 53.73 H new ATOM 0 HB3 SER B 28 1.128 111.072 -14.210 1.00 53.73 H new ATOM 0 HG SER B 28 -0.537 112.952 -14.807 1.00 56.59 H new ATOM 1481 N TYR B 29 0.522 110.543 -11.496 1.00 45.72 N ATOM 1482 CA TYR B 29 1.058 109.490 -10.651 1.00 44.73 C ATOM 1483 C TYR B 29 0.374 108.181 -10.940 1.00 41.86 C ATOM 1484 O TYR B 29 -0.527 108.084 -11.772 1.00 42.36 O ATOM 1485 CB TYR B 29 0.974 109.858 -9.164 1.00 44.07 C ATOM 1486 CG TYR B 29 -0.420 110.029 -8.650 1.00 45.44 C ATOM 1487 CD1 TYR B 29 -1.072 109.003 -8.002 1.00 47.69 C ATOM 1488 CD2 TYR B 29 -1.076 111.230 -8.801 1.00 45.06 C ATOM 1489 CE1 TYR B 29 -2.362 109.169 -7.553 1.00 51.95 C ATOM 1490 CE2 TYR B 29 -2.352 111.419 -8.331 1.00 47.59 C ATOM 1491 CZ TYR B 29 -2.988 110.382 -7.726 1.00 51.39 C ATOM 1492 OH TYR B 29 -4.245 110.567 -7.263 1.00 57.26 O ATOM 0 H TYR B 29 -0.305 110.442 -11.711 1.00 45.72 H new ATOM 0 HA TYR B 29 2.000 109.388 -10.861 1.00 44.73 H new ATOM 0 HB2 TYR B 29 1.416 109.168 -8.645 1.00 44.07 H new ATOM 0 HB3 TYR B 29 1.465 110.682 -9.017 1.00 44.07 H new ATOM 0 HD1 TYR B 29 -0.637 108.192 -7.867 1.00 47.69 H new ATOM 0 HD2 TYR B 29 -0.644 111.931 -9.232 1.00 45.06 H new ATOM 0 HE1 TYR B 29 -2.807 108.467 -7.136 1.00 51.95 H new ATOM 0 HE2 TYR B 29 -2.774 112.243 -8.425 1.00 47.59 H new ATOM 0 HH TYR B 29 -4.496 111.349 -7.438 1.00 57.26 H new ATOM 1493 N ILE B 30 0.877 107.158 -10.293 1.00 40.99 N ATOM 1494 CA ILE B 30 0.264 105.878 -10.335 1.00 40.27 C ATOM 1495 C ILE B 30 -0.179 105.508 -8.959 1.00 37.08 C ATOM 1496 O ILE B 30 0.567 105.623 -7.980 1.00 39.92 O ATOM 1497 CB ILE B 30 1.256 104.857 -10.887 1.00 42.16 C ATOM 1498 CG1 ILE B 30 1.007 104.788 -12.360 1.00 48.16 C ATOM 1499 CG2 ILE B 30 1.024 103.474 -10.323 1.00 42.42 C ATOM 1500 CD1 ILE B 30 1.911 103.818 -13.052 1.00 54.60 C ATOM 0 H ILE B 30 1.591 107.195 -9.815 1.00 40.99 H new ATOM 0 HA ILE B 30 -0.511 105.893 -10.918 1.00 40.27 H new ATOM 0 HB ILE B 30 2.158 105.129 -10.654 1.00 42.16 H new ATOM 0 HG12 ILE B 30 0.084 104.533 -12.517 1.00 48.16 H new ATOM 0 HG13 ILE B 30 1.128 105.669 -12.747 1.00 48.16 H new ATOM 0 HG21 ILE B 30 1.673 102.858 -10.698 1.00 42.42 H new ATOM 0 HG22 ILE B 30 1.121 103.497 -9.358 1.00 42.42 H new ATOM 0 HG23 ILE B 30 0.129 103.178 -10.550 1.00 42.42 H new ATOM 0 HD11 ILE B 30 1.711 103.810 -14.001 1.00 54.60 H new ATOM 0 HD12 ILE B 30 2.834 104.084 -12.919 1.00 54.60 H new ATOM 0 HD13 ILE B 30 1.775 102.930 -12.686 1.00 54.60 H new ATOM 1501 N ASP B 31 -1.377 104.985 -8.912 1.00 35.31 N ATOM 1502 CA ASP B 31 -1.837 104.345 -7.716 1.00 34.08 C ATOM 1503 C ASP B 31 -2.302 102.912 -8.033 1.00 32.66 C ATOM 1504 O ASP B 31 -2.394 102.474 -9.191 1.00 27.17 O ATOM 1505 CB ASP B 31 -2.905 105.197 -7.024 1.00 33.24 C ATOM 1506 CG ASP B 31 -4.151 105.275 -7.807 1.00 37.94 C ATOM 1507 OD1 ASP B 31 -4.192 104.526 -8.814 1.00 42.85 O ATOM 1508 OD2 ASP B 31 -5.089 106.030 -7.444 1.00 39.72 O ATOM 0 H ASP B 31 -1.939 104.990 -9.563 1.00 35.31 H new ATOM 0 HA ASP B 31 -1.107 104.267 -7.082 1.00 34.08 H new ATOM 0 HB2 ASP B 31 -3.098 104.823 -6.150 1.00 33.24 H new ATOM 0 HB3 ASP B 31 -2.559 106.092 -6.880 1.00 33.24 H new ATOM 1509 N TYR B 32 -2.557 102.181 -6.964 1.00 33.69 N ATOM 1510 CA TYR B 32 -2.832 100.783 -7.058 1.00 33.12 C ATOM 1511 C TYR B 32 -4.011 100.453 -6.254 1.00 31.05 C ATOM 1512 O TYR B 32 -4.403 101.221 -5.407 1.00 35.44 O ATOM 1513 CB TYR B 32 -1.675 100.042 -6.515 1.00 32.89 C ATOM 1514 CG TYR B 32 -0.374 100.256 -7.243 1.00 35.03 C ATOM 1515 CD1 TYR B 32 0.535 101.202 -6.840 1.00 34.90 C ATOM 1516 CD2 TYR B 32 -0.029 99.447 -8.294 1.00 38.14 C ATOM 1517 CE1 TYR B 32 1.751 101.348 -7.481 1.00 36.90 C ATOM 1518 CE2 TYR B 32 1.177 99.578 -8.939 1.00 37.32 C ATOM 1519 CZ TYR B 32 2.063 100.527 -8.537 1.00 37.55 C ATOM 1520 OH TYR B 32 3.243 100.620 -9.232 1.00 45.45 O ATOM 0 H TYR B 32 -2.573 102.493 -6.163 1.00 33.69 H new ATOM 0 HA TYR B 32 -2.993 100.545 -7.984 1.00 33.12 H new ATOM 0 HB2 TYR B 32 -1.554 100.295 -5.586 1.00 32.89 H new ATOM 0 HB3 TYR B 32 -1.883 99.095 -6.526 1.00 32.89 H new ATOM 0 HD1 TYR B 32 0.329 101.756 -6.122 1.00 34.90 H new ATOM 0 HD2 TYR B 32 -0.626 98.793 -8.578 1.00 38.14 H new ATOM 0 HE1 TYR B 32 2.354 101.998 -7.199 1.00 36.90 H new ATOM 0 HE2 TYR B 32 1.387 99.017 -9.651 1.00 37.32 H new ATOM 0 HH TYR B 32 3.457 99.862 -9.524 1.00 45.45 H new ATOM 1521 N GLU B 33 -4.633 99.341 -6.581 1.00 30.54 N ATOM 1522 CA GLU B 33 -5.759 98.872 -5.805 1.00 32.34 C ATOM 1523 C GLU B 33 -5.294 97.848 -4.782 1.00 26.98 C ATOM 1524 O GLU B 33 -4.538 96.975 -5.117 1.00 23.43 O ATOM 1525 CB GLU B 33 -6.823 98.243 -6.700 1.00 38.38 C ATOM 1526 CG GLU B 33 -8.144 97.999 -5.966 1.00 41.38 C ATOM 1527 CD GLU B 33 -9.222 97.394 -6.842 1.00 46.94 C ATOM 1528 OE1 GLU B 33 -8.950 96.473 -7.684 1.00 48.64 O ATOM 1529 OE2 GLU B 33 -10.368 97.835 -6.661 1.00 54.47 O ATOM 0 H GLU B 33 -4.420 98.842 -7.248 1.00 30.54 H new ATOM 0 HA GLU B 33 -6.148 99.637 -5.353 1.00 32.34 H new ATOM 0 HB2 GLU B 33 -6.983 98.822 -7.462 1.00 38.38 H new ATOM 0 HB3 GLU B 33 -6.491 97.401 -7.048 1.00 38.38 H new ATOM 0 HG2 GLU B 33 -7.982 97.410 -5.212 1.00 41.38 H new ATOM 0 HG3 GLU B 33 -8.465 98.840 -5.605 1.00 41.38 H new ATOM 1530 N ILE B 34 -5.783 97.972 -3.556 1.00 25.46 N ATOM 1531 CA ILE B 34 -5.426 97.098 -2.493 1.00 26.45 C ATOM 1532 C ILE B 34 -6.677 96.471 -1.993 1.00 26.86 C ATOM 1533 O ILE B 34 -7.595 97.142 -1.507 1.00 21.21 O ATOM 1534 CB ILE B 34 -4.818 97.870 -1.336 1.00 30.13 C ATOM 1535 CG1 ILE B 34 -3.580 98.575 -1.808 1.00 34.82 C ATOM 1536 CG2 ILE B 34 -4.402 96.944 -0.210 1.00 31.82 C ATOM 1537 CD1 ILE B 34 -3.243 99.723 -0.895 1.00 39.76 C ATOM 0 H ILE B 34 -6.343 98.585 -3.330 1.00 25.46 H new ATOM 0 HA ILE B 34 -4.784 96.448 -2.818 1.00 26.45 H new ATOM 0 HB ILE B 34 -5.489 98.493 -1.016 1.00 30.13 H new ATOM 0 HG12 ILE B 34 -2.838 97.951 -1.838 1.00 34.82 H new ATOM 0 HG13 ILE B 34 -3.713 98.902 -2.712 1.00 34.82 H new ATOM 0 HG21 ILE B 34 -4.018 97.465 0.513 1.00 31.82 H new ATOM 0 HG22 ILE B 34 -5.178 96.462 0.116 1.00 31.82 H new ATOM 0 HG23 ILE B 34 -3.743 96.312 -0.537 1.00 31.82 H new ATOM 0 HD11 ILE B 34 -2.442 100.166 -1.215 1.00 39.76 H new ATOM 0 HD12 ILE B 34 -3.979 100.355 -0.884 1.00 39.76 H new ATOM 0 HD13 ILE B 34 -3.091 99.389 0.003 1.00 39.76 H new ATOM 1538 N CYS B 35 -6.677 95.150 -2.065 1.00 31.05 N ATOM 1539 CA CYS B 35 -7.872 94.375 -1.806 1.00 32.39 C ATOM 1540 C CYS B 35 -7.576 93.452 -0.700 1.00 29.84 C ATOM 1541 O CYS B 35 -6.577 92.756 -0.717 1.00 30.40 O ATOM 1542 CB CYS B 35 -8.224 93.597 -3.046 1.00 35.03 C ATOM 1543 SG CYS B 35 -8.854 94.735 -4.288 1.00 47.22 S ATOM 0 H CYS B 35 -5.985 94.680 -2.265 1.00 31.05 H new ATOM 0 HA CYS B 35 -8.618 94.948 -1.570 1.00 32.39 H new ATOM 0 HB2 CYS B 35 -7.443 93.131 -3.383 1.00 35.03 H new ATOM 0 HB3 CYS B 35 -8.890 92.922 -2.841 1.00 35.03 H new ATOM 1544 N ILE B 36 -8.427 93.482 0.291 1.00 29.63 N ATOM 1545 CA ILE B 36 -8.318 92.588 1.419 1.00 29.90 C ATOM 1546 C ILE B 36 -9.481 91.616 1.370 1.00 30.81 C ATOM 1547 O ILE B 36 -10.628 92.010 1.077 1.00 29.89 O ATOM 1548 CB ILE B 36 -8.455 93.392 2.712 1.00 32.26 C ATOM 1549 CG1 ILE B 36 -7.241 94.276 2.907 1.00 31.85 C ATOM 1550 CG2 ILE B 36 -8.670 92.500 3.927 1.00 33.64 C ATOM 1551 CD1 ILE B 36 -5.988 93.509 3.209 1.00 32.54 C ATOM 0 H ILE B 36 -9.093 94.025 0.334 1.00 29.63 H new ATOM 0 HA ILE B 36 -7.465 92.127 1.390 1.00 29.90 H new ATOM 0 HB ILE B 36 -9.245 93.948 2.627 1.00 32.26 H new ATOM 0 HG12 ILE B 36 -7.103 94.806 2.106 1.00 31.85 H new ATOM 0 HG13 ILE B 36 -7.415 94.897 3.632 1.00 31.85 H new ATOM 0 HG21 ILE B 36 -8.751 93.050 4.722 1.00 33.64 H new ATOM 0 HG22 ILE B 36 -9.481 91.982 3.809 1.00 33.64 H new ATOM 0 HG23 ILE B 36 -7.915 91.900 4.026 1.00 33.64 H new ATOM 0 HD11 ILE B 36 -5.249 94.127 3.323 1.00 32.54 H new ATOM 0 HD12 ILE B 36 -6.110 92.998 4.024 1.00 32.54 H new ATOM 0 HD13 ILE B 36 -5.793 92.905 2.475 1.00 32.54 H new ATOM 1552 N HIS B 37 -9.217 90.355 1.686 1.00 31.64 N ATOM 1553 CA HIS B 37 -10.311 89.410 1.978 1.00 32.79 C ATOM 1554 C HIS B 37 -9.960 88.628 3.186 1.00 31.11 C ATOM 1555 O HIS B 37 -8.904 88.028 3.256 1.00 34.46 O ATOM 1556 CB HIS B 37 -10.560 88.463 0.848 1.00 36.93 C ATOM 1557 CG HIS B 37 -11.703 87.531 1.096 1.00 41.97 C ATOM 1558 ND1 HIS B 37 -11.700 86.225 0.666 1.00 47.35 N ATOM 1559 CD2 HIS B 37 -12.864 87.705 1.763 1.00 44.22 C ATOM 1560 CE1 HIS B 37 -12.827 85.646 1.031 1.00 46.90 C ATOM 1561 NE2 HIS B 37 -13.550 86.522 1.696 1.00 43.39 N ATOM 0 H HIS B 37 -8.426 90.021 1.739 1.00 31.64 H new ATOM 0 HA HIS B 37 -11.119 89.928 2.116 1.00 32.79 H new ATOM 0 HB2 HIS B 37 -10.735 88.972 0.041 1.00 36.93 H new ATOM 0 HB3 HIS B 37 -9.757 87.944 0.687 1.00 36.93 H new ATOM 0 HD1 HIS B 37 -11.064 85.846 0.228 1.00 47.35 H new ATOM 0 HD2 HIS B 37 -13.145 88.483 2.188 1.00 44.22 H new ATOM 0 HE1 HIS B 37 -13.070 84.767 0.849 1.00 46.90 H new ATOM 1562 N THR B 38 -10.798 88.688 4.195 1.00 30.44 N ATOM 1563 CA THR B 38 -10.456 87.992 5.427 1.00 31.03 C ATOM 1564 C THR B 38 -11.735 87.498 6.063 1.00 34.18 C ATOM 1565 O THR B 38 -12.813 88.059 5.832 1.00 35.21 O ATOM 1566 CB THR B 38 -9.739 88.926 6.426 1.00 26.73 C ATOM 1567 OG1 THR B 38 -9.373 88.186 7.589 1.00 24.26 O ATOM 1568 CG2 THR B 38 -10.646 90.081 6.852 1.00 26.09 C ATOM 0 H THR B 38 -11.548 89.109 4.198 1.00 30.44 H new ATOM 0 HA THR B 38 -9.858 87.259 5.212 1.00 31.03 H new ATOM 0 HB THR B 38 -8.953 89.288 5.987 1.00 26.73 H new ATOM 0 HG1 THR B 38 -8.790 87.616 7.387 1.00 24.26 H new ATOM 0 HG21 THR B 38 -10.172 90.651 7.478 1.00 26.09 H new ATOM 0 HG22 THR B 38 -10.899 90.599 6.072 1.00 26.09 H new ATOM 0 HG23 THR B 38 -11.443 89.727 7.277 1.00 26.09 H new ATOM 1569 N ASN B 39 -11.591 86.520 6.922 1.00 33.20 N ATOM 1570 CA ASN B 39 -12.642 86.229 7.850 1.00 38.16 C ATOM 1571 C ASN B 39 -12.246 86.511 9.323 1.00 40.27 C ATOM 1572 O ASN B 39 -12.828 85.962 10.234 1.00 42.30 O ATOM 1573 CB ASN B 39 -12.992 84.779 7.704 1.00 40.78 C ATOM 1574 CG ASN B 39 -11.916 83.923 8.230 1.00 41.30 C ATOM 1575 OD1 ASN B 39 -11.061 84.406 8.980 1.00 44.66 O ATOM 1576 ND2 ASN B 39 -11.935 82.662 7.877 1.00 41.21 N ATOM 0 H ASN B 39 -10.897 86.016 6.983 1.00 33.20 H new ATOM 0 HA ASN B 39 -13.393 86.808 7.647 1.00 38.16 H new ATOM 0 HB2 ASN B 39 -13.819 84.593 8.176 1.00 40.78 H new ATOM 0 HB3 ASN B 39 -13.147 84.572 6.769 1.00 40.78 H new ATOM 0 HD21 ASN B 39 -11.331 82.124 8.170 1.00 41.21 H new ATOM 0 HD22 ASN B 39 -12.551 82.372 7.352 1.00 41.21 H new ATOM 1577 N SER B 40 -11.276 87.371 9.555 1.00 39.73 N ATOM 1578 CA SER B 40 -10.755 87.557 10.885 1.00 40.22 C ATOM 1579 C SER B 40 -11.524 88.618 11.639 1.00 41.33 C ATOM 1580 O SER B 40 -12.062 89.531 11.063 1.00 40.40 O ATOM 1581 CB SER B 40 -9.283 87.933 10.773 1.00 44.95 C ATOM 1582 OG SER B 40 -8.815 88.653 11.902 1.00 50.46 O ATOM 0 H SER B 40 -10.905 87.858 8.951 1.00 39.73 H new ATOM 0 HA SER B 40 -10.852 86.732 11.386 1.00 40.22 H new ATOM 0 HB2 SER B 40 -8.754 87.127 10.666 1.00 44.95 H new ATOM 0 HB3 SER B 40 -9.149 88.468 9.975 1.00 44.95 H new ATOM 0 HG SER B 40 -7.979 88.588 11.949 1.00 50.46 H new ATOM 1583 N MET B 41 -11.541 88.503 12.954 1.00 47.30 N ATOM 1584 CA MET B 41 -12.169 89.496 13.829 1.00 53.59 C ATOM 1585 C MET B 41 -11.302 90.743 13.937 1.00 51.25 C ATOM 1586 O MET B 41 -11.766 91.793 14.376 1.00 48.29 O ATOM 1587 CB MET B 41 -12.389 88.880 15.225 1.00 69.15 C ATOM 1588 CG MET B 41 -13.266 87.611 15.281 1.00 84.68 C ATOM 1589 SD MET B 41 -15.004 87.830 14.773 1.00108.47 S ATOM 1590 CE MET B 41 -15.095 87.258 13.046 1.00 86.35 C ATOM 0 H MET B 41 -11.187 87.842 13.376 1.00 47.30 H new ATOM 0 HA MET B 41 -13.024 89.754 13.450 1.00 53.59 H new ATOM 0 HB2 MET B 41 -11.522 88.668 15.605 1.00 69.15 H new ATOM 0 HB3 MET B 41 -12.791 89.554 15.795 1.00 69.15 H new ATOM 0 HG2 MET B 41 -12.863 86.934 14.715 1.00 84.68 H new ATOM 0 HG3 MET B 41 -13.252 87.267 16.188 1.00 84.68 H new ATOM 0 HE1 MET B 41 -16.004 87.352 12.721 1.00 86.35 H new ATOM 0 HE2 MET B 41 -14.499 87.791 12.497 1.00 86.35 H new ATOM 0 HE3 MET B 41 -14.830 86.326 12.999 1.00 86.35 H new ATOM 1591 N CYS B 42 -10.047 90.635 13.502 1.00 52.51 N ATOM 1592 CA CYS B 42 -9.116 91.764 13.530 1.00 58.35 C ATOM 1593 C CYS B 42 -9.549 92.931 12.654 1.00 53.75 C ATOM 1594 O CYS B 42 -9.439 94.080 13.070 1.00 56.29 O ATOM 1595 CB CYS B 42 -7.701 91.318 13.177 1.00 61.99 C ATOM 1596 SG CYS B 42 -7.066 90.258 14.536 1.00 75.03 S ATOM 0 H CYS B 42 -9.712 89.909 13.184 1.00 52.51 H new ATOM 0 HA CYS B 42 -9.124 92.092 14.443 1.00 58.35 H new ATOM 0 HB2 CYS B 42 -7.701 90.828 12.340 1.00 61.99 H new ATOM 0 HB3 CYS B 42 -7.126 92.089 13.054 1.00 61.99 H new ATOM 0 HG CYS B 42 -5.952 89.895 14.274 1.00 75.03 H new ATOM 1597 N PHE B 43 -10.109 92.620 11.489 1.00 43.40 N ATOM 1598 CA PHE B 43 -10.587 93.618 10.567 1.00 38.55 C ATOM 1599 C PHE B 43 -12.020 93.959 10.785 1.00 33.67 C ATOM 1600 O PHE B 43 -12.774 93.108 11.189 1.00 40.78 O ATOM 1601 CB PHE B 43 -10.404 93.133 9.142 1.00 40.25 C ATOM 1602 CG PHE B 43 -8.986 93.107 8.737 1.00 43.30 C ATOM 1603 CD1 PHE B 43 -8.155 92.094 9.195 1.00 46.13 C ATOM 1604 CD2 PHE B 43 -8.446 94.166 8.011 1.00 46.00 C ATOM 1605 CE1 PHE B 43 -6.822 92.103 8.866 1.00 47.70 C ATOM 1606 CE2 PHE B 43 -7.107 94.186 7.687 1.00 43.33 C ATOM 1607 CZ PHE B 43 -6.300 93.161 8.113 1.00 45.38 C ATOM 0 H PHE B 43 -10.219 91.812 11.217 1.00 43.40 H new ATOM 0 HA PHE B 43 -10.065 94.420 10.724 1.00 38.55 H new ATOM 0 HB2 PHE B 43 -10.779 92.243 9.055 1.00 40.25 H new ATOM 0 HB3 PHE B 43 -10.900 93.710 8.540 1.00 40.25 H new ATOM 0 HD1 PHE B 43 -8.500 91.411 9.723 1.00 46.13 H new ATOM 0 HD2 PHE B 43 -8.995 94.867 7.742 1.00 46.00 H new ATOM 0 HE1 PHE B 43 -6.268 91.409 9.142 1.00 47.70 H new ATOM 0 HE2 PHE B 43 -6.754 94.886 7.186 1.00 43.33 H new ATOM 0 HZ PHE B 43 -5.395 93.170 7.899 1.00 45.38 H new ATOM 1608 N THR B 44 -12.388 95.205 10.504 1.00 29.02 N ATOM 1609 CA THR B 44 -13.750 95.639 10.570 1.00 28.98 C ATOM 1610 C THR B 44 -14.574 95.043 9.430 1.00 32.87 C ATOM 1611 O THR B 44 -15.597 94.432 9.642 1.00 42.23 O ATOM 1612 CB THR B 44 -13.824 97.174 10.523 1.00 28.50 C ATOM 1613 OG1 THR B 44 -13.305 97.705 11.726 1.00 27.00 O ATOM 1614 CG2 THR B 44 -15.239 97.648 10.441 1.00 30.88 C ATOM 0 H THR B 44 -11.836 95.821 10.268 1.00 29.02 H new ATOM 0 HA THR B 44 -14.122 95.328 11.410 1.00 28.98 H new ATOM 0 HB THR B 44 -13.323 97.462 9.744 1.00 28.50 H new ATOM 0 HG1 THR B 44 -13.901 98.151 12.116 1.00 27.00 H new ATOM 0 HG21 THR B 44 -15.255 98.617 10.413 1.00 30.88 H new ATOM 0 HG22 THR B 44 -15.653 97.295 9.638 1.00 30.88 H new ATOM 0 HG23 THR B 44 -15.729 97.340 11.219 1.00 30.88 H new ATOM 1615 N MET B 45 -14.131 95.257 8.212 1.00 34.03 N ATOM 1616 CA MET B 45 -14.804 94.767 7.040 1.00 32.17 C ATOM 1617 C MET B 45 -14.121 93.507 6.568 1.00 32.53 C ATOM 1618 O MET B 45 -12.915 93.405 6.663 1.00 31.17 O ATOM 1619 CB MET B 45 -14.666 95.805 5.956 1.00 32.47 C ATOM 1620 CG MET B 45 -15.381 97.079 6.298 1.00 32.33 C ATOM 1621 SD MET B 45 -17.136 96.759 6.343 1.00 33.40 S ATOM 1622 CE MET B 45 -17.795 98.192 7.192 1.00 34.71 C ATOM 0 H MET B 45 -13.415 95.701 8.041 1.00 34.03 H new ATOM 0 HA MET B 45 -15.736 94.588 7.240 1.00 32.17 H new ATOM 0 HB2 MET B 45 -13.726 95.993 5.808 1.00 32.47 H new ATOM 0 HB3 MET B 45 -15.019 95.451 5.125 1.00 32.47 H new ATOM 0 HG2 MET B 45 -15.079 97.414 7.157 1.00 32.33 H new ATOM 0 HG3 MET B 45 -15.181 97.763 5.640 1.00 32.33 H new ATOM 0 HE1 MET B 45 -18.394 97.903 7.898 1.00 34.71 H new ATOM 0 HE2 MET B 45 -17.066 98.705 7.576 1.00 34.71 H new ATOM 0 HE3 MET B 45 -18.283 98.746 6.562 1.00 34.71 H new ATOM 1623 N LYS B 46 -14.874 92.567 6.018 1.00 34.03 N ATOM 1624 CA LYS B 46 -14.302 91.295 5.603 1.00 35.74 C ATOM 1625 C LYS B 46 -13.791 91.388 4.189 1.00 32.57 C ATOM 1626 O LYS B 46 -12.993 90.548 3.772 1.00 29.59 O ATOM 1627 CB LYS B 46 -15.344 90.200 5.658 1.00 38.39 C ATOM 1628 CG LYS B 46 -16.025 90.034 6.984 1.00 42.20 C ATOM 1629 CD LYS B 46 -15.045 89.725 8.081 1.00 50.11 C ATOM 1630 CE LYS B 46 -15.756 89.649 9.411 1.00 63.01 C ATOM 1631 NZ LYS B 46 -14.797 89.968 10.511 1.00 74.06 N ATOM 0 H LYS B 46 -15.719 92.645 5.876 1.00 34.03 H new ATOM 0 HA LYS B 46 -13.573 91.087 6.208 1.00 35.74 H new ATOM 0 HB2 LYS B 46 -16.018 90.381 4.984 1.00 38.39 H new ATOM 0 HB3 LYS B 46 -14.922 89.360 5.419 1.00 38.39 H new ATOM 0 HG2 LYS B 46 -16.510 90.845 7.202 1.00 42.20 H new ATOM 0 HG3 LYS B 46 -16.679 89.320 6.924 1.00 42.20 H new ATOM 0 HD2 LYS B 46 -14.598 88.884 7.897 1.00 50.11 H new ATOM 0 HD3 LYS B 46 -14.359 90.410 8.113 1.00 50.11 H new ATOM 0 HE2 LYS B 46 -16.499 90.272 9.427 1.00 63.01 H new ATOM 0 HE3 LYS B 46 -16.127 88.762 9.540 1.00 63.01 H new ATOM 0 HZ1 LYS B 46 -15.090 89.614 11.273 1.00 74.06 H new ATOM 0 HZ2 LYS B 46 -13.997 89.629 10.316 1.00 74.06 H new ATOM 0 HZ3 LYS B 46 -14.731 90.851 10.601 1.00 74.06 H new ATOM 1632 N THR B 47 -14.256 92.385 3.451 1.00 28.92 N ATOM 1633 CA THR B 47 -13.617 92.703 2.206 1.00 29.92 C ATOM 1634 C THR B 47 -13.432 94.167 2.112 1.00 29.96 C ATOM 1635 O THR B 47 -14.185 94.914 2.699 1.00 32.36 O ATOM 1636 CB THR B 47 -14.429 92.313 0.966 1.00 32.27 C ATOM 1637 OG1 THR B 47 -15.510 93.229 0.768 1.00 34.13 O ATOM 1638 CG2 THR B 47 -14.889 90.903 1.053 1.00 30.91 C ATOM 0 H THR B 47 -14.930 92.878 3.656 1.00 28.92 H new ATOM 0 HA THR B 47 -12.787 92.201 2.211 1.00 29.92 H new ATOM 0 HB THR B 47 -13.856 92.371 0.186 1.00 32.27 H new ATOM 0 HG1 THR B 47 -15.524 93.477 -0.034 1.00 34.13 H new ATOM 0 HG21 THR B 47 -15.400 90.679 0.259 1.00 30.91 H new ATOM 0 HG22 THR B 47 -14.120 90.315 1.119 1.00 30.91 H new ATOM 0 HG23 THR B 47 -15.448 90.793 1.838 1.00 30.91 H new ATOM 1639 N SER B 48 -12.430 94.574 1.333 1.00 31.13 N ATOM 1640 CA SER B 48 -12.174 95.991 1.052 1.00 30.27 C ATOM 1641 C SER B 48 -11.325 96.125 -0.185 1.00 29.91 C ATOM 1642 O SER B 48 -10.444 95.284 -0.428 1.00 28.07 O ATOM 1643 CB SER B 48 -11.492 96.654 2.240 1.00 27.10 C ATOM 1644 OG SER B 48 -10.338 95.962 2.586 1.00 24.08 O ATOM 0 H SER B 48 -11.878 94.037 0.951 1.00 31.13 H new ATOM 0 HA SER B 48 -13.021 96.438 0.899 1.00 30.27 H new ATOM 0 HB2 SER B 48 -11.272 97.573 2.022 1.00 27.10 H new ATOM 0 HB3 SER B 48 -12.099 96.680 2.996 1.00 27.10 H new ATOM 0 HG SER B 48 -9.685 96.276 2.161 1.00 24.08 H new ATOM 1645 N CYS B 49 -11.661 97.124 -0.998 1.00 31.54 N ATOM 1646 CA CYS B 49 -10.774 97.572 -2.061 1.00 37.22 C ATOM 1647 C CYS B 49 -10.654 99.076 -1.960 1.00 33.49 C ATOM 1648 O CYS B 49 -11.654 99.784 -1.883 1.00 33.42 O ATOM 1649 CB CYS B 49 -11.177 97.119 -3.488 1.00 38.81 C ATOM 1650 SG CYS B 49 -10.901 95.330 -3.757 1.00 58.78 S ATOM 0 H CYS B 49 -12.403 97.556 -0.948 1.00 31.54 H new ATOM 0 HA CYS B 49 -9.914 97.143 -1.927 1.00 37.22 H new ATOM 0 HB2 CYS B 49 -12.113 97.325 -3.638 1.00 38.81 H new ATOM 0 HB3 CYS B 49 -10.667 97.624 -4.141 1.00 38.81 H new ATOM 1651 N VAL B 50 -9.414 99.540 -1.931 1.00 29.99 N ATOM 1652 CA VAL B 50 -9.091 100.939 -1.754 1.00 30.38 C ATOM 1653 C VAL B 50 -7.915 101.278 -2.701 1.00 28.39 C ATOM 1654 O VAL B 50 -7.154 100.391 -3.084 1.00 27.24 O ATOM 1655 CB VAL B 50 -8.732 101.161 -0.288 1.00 31.21 C ATOM 1656 CG1 VAL B 50 -7.303 100.737 0.002 1.00 30.73 C ATOM 1657 CG2 VAL B 50 -8.885 102.600 0.050 1.00 35.06 C ATOM 0 H VAL B 50 -8.723 99.036 -2.016 1.00 29.99 H new ATOM 0 HA VAL B 50 -9.836 101.520 -1.973 1.00 30.38 H new ATOM 0 HB VAL B 50 -9.331 100.621 0.251 1.00 31.21 H new ATOM 0 HG11 VAL B 50 -7.104 100.889 0.939 1.00 30.73 H new ATOM 0 HG12 VAL B 50 -7.197 99.794 -0.201 1.00 30.73 H new ATOM 0 HG13 VAL B 50 -6.694 101.256 -0.546 1.00 30.73 H new ATOM 0 HG21 VAL B 50 -8.656 102.740 0.982 1.00 35.06 H new ATOM 0 HG22 VAL B 50 -8.295 103.129 -0.510 1.00 35.06 H new ATOM 0 HG23 VAL B 50 -9.804 102.872 -0.102 1.00 35.06 H new ATOM 1658 N ARG B 51 -7.746 102.518 -3.097 1.00 26.35 N ATOM 1659 CA ARG B 51 -6.603 102.803 -3.981 1.00 26.74 C ATOM 1660 C ARG B 51 -5.587 103.663 -3.251 1.00 22.78 C ATOM 1661 O ARG B 51 -5.959 104.602 -2.573 1.00 20.81 O ATOM 1662 CB ARG B 51 -7.058 103.470 -5.268 1.00 30.24 C ATOM 1663 CG ARG B 51 -7.964 102.589 -6.134 1.00 34.50 C ATOM 1664 CD ARG B 51 -8.138 103.117 -7.564 1.00 35.72 C ATOM 1665 NE ARG B 51 -6.887 102.981 -8.286 1.00 35.71 N ATOM 1666 CZ ARG B 51 -6.559 101.947 -9.035 1.00 35.96 C ATOM 1667 NH1 ARG B 51 -7.384 100.956 -9.219 1.00 36.23 N ATOM 1668 NH2 ARG B 51 -5.365 101.908 -9.588 1.00 44.46 N ATOM 0 H ARG B 51 -8.243 103.188 -2.888 1.00 26.35 H new ATOM 0 HA ARG B 51 -6.183 101.963 -4.223 1.00 26.74 H new ATOM 0 HB2 ARG B 51 -7.530 104.288 -5.049 1.00 30.24 H new ATOM 0 HB3 ARG B 51 -6.277 103.723 -5.785 1.00 30.24 H new ATOM 0 HG2 ARG B 51 -7.595 101.693 -6.170 1.00 34.50 H new ATOM 0 HG3 ARG B 51 -8.835 102.520 -5.713 1.00 34.50 H new ATOM 0 HD2 ARG B 51 -8.840 102.624 -8.018 1.00 35.72 H new ATOM 0 HD3 ARG B 51 -8.412 104.047 -7.544 1.00 35.72 H new ATOM 0 HE ARG B 51 -6.318 103.622 -8.221 1.00 35.71 H new ATOM 0 HH11 ARG B 51 -8.160 100.968 -8.848 1.00 36.23 H new ATOM 0 HH12 ARG B 51 -7.153 100.290 -9.711 1.00 36.23 H new ATOM 0 HH21 ARG B 51 -4.810 102.552 -9.459 1.00 44.46 H new ATOM 0 HH22 ARG B 51 -5.140 101.238 -10.079 1.00 44.46 H new ATOM 1669 N ARG B 52 -4.311 103.310 -3.340 1.00 21.95 N ATOM 1670 CA ARG B 52 -3.239 104.055 -2.674 1.00 23.35 C ATOM 1671 C ARG B 52 -2.029 104.167 -3.568 1.00 24.65 C ATOM 1672 O ARG B 52 -1.829 103.341 -4.438 1.00 26.36 O ATOM 1673 CB ARG B 52 -2.870 103.421 -1.326 1.00 22.79 C ATOM 1674 CG ARG B 52 -4.113 103.323 -0.511 1.00 24.87 C ATOM 1675 CD ARG B 52 -4.046 103.772 0.897 1.00 26.62 C ATOM 1676 NE ARG B 52 -4.497 105.133 1.157 1.00 25.31 N ATOM 1677 CZ ARG B 52 -5.397 105.484 2.059 1.00 25.92 C ATOM 1678 NH1 ARG B 52 -6.120 104.607 2.731 1.00 26.83 N ATOM 1679 NH2 ARG B 52 -5.583 106.767 2.283 1.00 26.08 N ATOM 0 H ARG B 52 -4.037 102.630 -3.789 1.00 21.95 H new ATOM 0 HA ARG B 52 -3.568 104.950 -2.496 1.00 23.35 H new ATOM 0 HB2 ARG B 52 -2.481 102.542 -1.459 1.00 22.79 H new ATOM 0 HB3 ARG B 52 -2.205 103.959 -0.868 1.00 22.79 H new ATOM 0 HG2 ARG B 52 -4.804 103.838 -0.956 1.00 24.87 H new ATOM 0 HG3 ARG B 52 -4.402 102.397 -0.516 1.00 24.87 H new ATOM 0 HD2 ARG B 52 -4.577 103.166 1.437 1.00 26.62 H new ATOM 0 HD3 ARG B 52 -3.128 103.691 1.200 1.00 26.62 H new ATOM 0 HE ARG B 52 -4.148 105.761 0.684 1.00 25.31 H new ATOM 0 HH11 ARG B 52 -6.015 103.765 2.590 1.00 26.83 H new ATOM 0 HH12 ARG B 52 -6.696 104.878 3.310 1.00 26.83 H new ATOM 0 HH21 ARG B 52 -5.125 107.350 1.848 1.00 26.08 H new ATOM 0 HH22 ARG B 52 -6.163 107.022 2.865 1.00 26.08 H new ATOM 1680 N ARG B 53 -1.201 105.162 -3.296 1.00 27.16 N ATOM 1681 CA ARG B 53 0.036 105.347 -4.022 1.00 28.06 C ATOM 1682 C ARG B 53 1.294 105.183 -3.164 1.00 28.01 C ATOM 1683 O ARG B 53 1.276 105.223 -1.894 1.00 26.51 O ATOM 1684 CB ARG B 53 0.036 106.667 -4.747 1.00 32.78 C ATOM 1685 CG ARG B 53 -0.757 107.785 -4.115 1.00 37.32 C ATOM 1686 CD ARG B 53 0.121 108.927 -3.725 1.00 43.00 C ATOM 1687 NE ARG B 53 0.129 109.892 -4.806 1.00 50.84 N ATOM 1688 CZ ARG B 53 1.197 110.581 -5.198 1.00 55.59 C ATOM 1689 NH1 ARG B 53 2.377 110.410 -4.614 1.00 64.74 N ATOM 1690 NH2 ARG B 53 1.093 111.449 -6.196 1.00 53.82 N ATOM 0 H ARG B 53 -1.343 105.749 -2.684 1.00 27.16 H new ATOM 0 HA ARG B 53 0.074 104.628 -4.673 1.00 28.06 H new ATOM 0 HB2 ARG B 53 0.955 106.962 -4.840 1.00 32.78 H new ATOM 0 HB3 ARG B 53 -0.307 106.521 -5.643 1.00 32.78 H new ATOM 0 HG2 ARG B 53 -1.434 108.094 -4.737 1.00 37.32 H new ATOM 0 HG3 ARG B 53 -1.222 107.451 -3.332 1.00 37.32 H new ATOM 0 HD2 ARG B 53 -0.204 109.338 -2.909 1.00 43.00 H new ATOM 0 HD3 ARG B 53 1.021 108.614 -3.546 1.00 43.00 H new ATOM 0 HE ARG B 53 -0.610 110.029 -5.224 1.00 50.84 H new ATOM 0 HH11 ARG B 53 2.460 109.846 -3.970 1.00 64.74 H new ATOM 0 HH12 ARG B 53 3.058 110.863 -4.879 1.00 64.74 H new ATOM 0 HH21 ARG B 53 0.336 111.565 -6.588 1.00 53.82 H new ATOM 0 HH22 ARG B 53 1.782 111.896 -6.451 1.00 53.82 H new ATOM 1691 N TYR B 54 2.382 104.926 -3.879 1.00 25.04 N ATOM 1692 CA TYR B 54 3.635 104.564 -3.254 1.00 23.22 C ATOM 1693 C TYR B 54 3.986 105.497 -2.107 1.00 23.54 C ATOM 1694 O TYR B 54 4.367 105.078 -1.032 1.00 21.32 O ATOM 1695 CB TYR B 54 4.715 104.583 -4.313 1.00 21.12 C ATOM 1696 CG TYR B 54 6.064 104.228 -3.847 1.00 19.87 C ATOM 1697 CD1 TYR B 54 6.973 105.205 -3.497 1.00 20.73 C ATOM 1698 CD2 TYR B 54 6.441 102.929 -3.726 1.00 19.58 C ATOM 1699 CE1 TYR B 54 8.235 104.878 -3.028 1.00 20.33 C ATOM 1700 CE2 TYR B 54 7.706 102.590 -3.279 1.00 20.49 C ATOM 1701 CZ TYR B 54 8.609 103.577 -2.948 1.00 20.05 C ATOM 1702 OH TYR B 54 9.891 103.269 -2.540 1.00 20.80 O ATOM 0 H TYR B 54 2.410 104.958 -4.738 1.00 25.04 H new ATOM 0 HA TYR B 54 3.555 103.676 -2.872 1.00 23.22 H new ATOM 0 HB2 TYR B 54 4.463 103.970 -5.021 1.00 21.12 H new ATOM 0 HB3 TYR B 54 4.748 105.470 -4.704 1.00 21.12 H new ATOM 0 HD1 TYR B 54 6.734 106.100 -3.577 1.00 20.73 H new ATOM 0 HD2 TYR B 54 5.839 102.256 -3.947 1.00 19.58 H new ATOM 0 HE1 TYR B 54 8.824 105.549 -2.769 1.00 20.33 H new ATOM 0 HE2 TYR B 54 7.947 101.695 -3.202 1.00 20.49 H new ATOM 0 HH TYR B 54 10.023 102.444 -2.629 1.00 20.80 H new ATOM 1703 N ARG B 55 3.841 106.782 -2.335 1.00 25.59 N ATOM 1704 CA ARG B 55 4.165 107.746 -1.280 1.00 28.76 C ATOM 1705 C ARG B 55 3.351 107.512 0.003 1.00 26.87 C ATOM 1706 O ARG B 55 3.872 107.736 1.079 1.00 24.38 O ATOM 1707 CB ARG B 55 3.961 109.156 -1.796 1.00 32.54 C ATOM 1708 CG ARG B 55 4.888 110.188 -1.192 1.00 39.08 C ATOM 1709 CD ARG B 55 5.146 111.341 -2.152 1.00 45.30 C ATOM 1710 NE ARG B 55 6.304 111.092 -3.006 1.00 48.04 N ATOM 1711 CZ ARG B 55 6.607 111.782 -4.105 1.00 49.52 C ATOM 1712 NH1 ARG B 55 7.697 111.464 -4.806 1.00 56.05 N ATOM 1713 NH2 ARG B 55 5.844 112.780 -4.515 1.00 48.15 N ATOM 0 H ARG B 55 3.563 107.124 -3.074 1.00 25.59 H new ATOM 0 HA ARG B 55 5.097 107.619 -1.042 1.00 28.76 H new ATOM 0 HB2 ARG B 55 4.080 109.156 -2.759 1.00 32.54 H new ATOM 0 HB3 ARG B 55 3.044 109.422 -1.623 1.00 32.54 H new ATOM 0 HG2 ARG B 55 4.501 110.530 -0.371 1.00 39.08 H new ATOM 0 HG3 ARG B 55 5.730 109.768 -0.956 1.00 39.08 H new ATOM 0 HD2 ARG B 55 4.362 111.482 -2.705 1.00 45.30 H new ATOM 0 HD3 ARG B 55 5.287 112.157 -1.646 1.00 45.30 H new ATOM 0 HE ARG B 55 6.831 110.450 -2.782 1.00 48.04 H new ATOM 0 HH11 ARG B 55 8.200 110.816 -4.548 1.00 56.05 H new ATOM 0 HH12 ARG B 55 7.896 111.907 -5.516 1.00 56.05 H new ATOM 0 HH21 ARG B 55 5.139 112.993 -4.071 1.00 48.15 H new ATOM 0 HH22 ARG B 55 6.052 113.216 -5.226 1.00 48.15 H new ATOM 1714 N GLU B 56 2.107 107.026 -0.131 1.00 25.51 N ATOM 1715 CA GLU B 56 1.240 106.764 1.013 1.00 24.75 C ATOM 1716 C GLU B 56 1.718 105.566 1.763 1.00 24.50 C ATOM 1717 O GLU B 56 1.645 105.530 2.999 1.00 24.58 O ATOM 1718 CB GLU B 56 -0.217 106.570 0.593 1.00 27.30 C ATOM 1719 CG GLU B 56 -0.788 107.798 -0.099 1.00 29.91 C ATOM 1720 CD GLU B 56 -2.282 107.703 -0.407 1.00 35.22 C ATOM 1721 OE1 GLU B 56 -2.680 107.118 -1.485 1.00 30.88 O ATOM 1722 OE2 GLU B 56 -3.057 108.269 0.446 1.00 40.06 O ATOM 0 H GLU B 56 1.749 106.841 -0.891 1.00 25.51 H new ATOM 0 HA GLU B 56 1.280 107.543 1.590 1.00 24.75 H new ATOM 0 HB2 GLU B 56 -0.281 105.807 -0.003 1.00 27.30 H new ATOM 0 HB3 GLU B 56 -0.752 106.364 1.375 1.00 27.30 H new ATOM 0 HG2 GLU B 56 -0.632 108.575 0.461 1.00 29.91 H new ATOM 0 HG3 GLU B 56 -0.305 107.944 -0.928 1.00 29.91 H new ATOM 1723 N PHE B 57 2.216 104.564 1.031 1.00 23.94 N ATOM 1724 CA PHE B 57 2.946 103.447 1.676 1.00 22.99 C ATOM 1725 C PHE B 57 4.170 103.895 2.482 1.00 21.32 C ATOM 1726 O PHE B 57 4.463 103.385 3.560 1.00 22.59 O ATOM 1727 CB PHE B 57 3.429 102.484 0.632 1.00 22.48 C ATOM 1728 CG PHE B 57 2.355 101.617 0.110 1.00 22.13 C ATOM 1729 CD1 PHE B 57 1.552 102.040 -0.929 1.00 22.39 C ATOM 1730 CD2 PHE B 57 2.145 100.383 0.641 1.00 22.05 C ATOM 1731 CE1 PHE B 57 0.564 101.220 -1.441 1.00 21.17 C ATOM 1732 CE2 PHE B 57 1.161 99.570 0.133 1.00 21.42 C ATOM 1733 CZ PHE B 57 0.379 99.986 -0.902 1.00 20.11 C ATOM 0 H PHE B 57 2.148 104.506 0.176 1.00 23.94 H new ATOM 0 HA PHE B 57 2.312 103.039 2.287 1.00 22.99 H new ATOM 0 HB2 PHE B 57 3.823 102.981 -0.102 1.00 22.48 H new ATOM 0 HB3 PHE B 57 4.131 101.931 1.009 1.00 22.48 H new ATOM 0 HD1 PHE B 57 1.677 102.888 -1.290 1.00 22.39 H new ATOM 0 HD2 PHE B 57 2.669 100.088 1.350 1.00 22.05 H new ATOM 0 HE1 PHE B 57 0.032 101.509 -2.147 1.00 21.17 H new ATOM 0 HE2 PHE B 57 1.027 98.726 0.500 1.00 21.42 H new ATOM 0 HZ PHE B 57 -0.282 99.425 -1.240 1.00 20.11 H new ATOM 1734 N VAL B 58 4.875 104.851 1.947 1.00 20.70 N ATOM 1735 CA VAL B 58 6.033 105.386 2.633 1.00 23.21 C ATOM 1736 C VAL B 58 5.640 105.975 3.978 1.00 24.44 C ATOM 1737 O VAL B 58 6.230 105.654 5.037 1.00 23.69 O ATOM 1738 CB VAL B 58 6.784 106.381 1.712 1.00 23.08 C ATOM 1739 CG1 VAL B 58 7.794 107.175 2.472 1.00 21.61 C ATOM 1740 CG2 VAL B 58 7.502 105.618 0.578 1.00 24.41 C ATOM 0 H VAL B 58 4.707 105.212 1.185 1.00 20.70 H new ATOM 0 HA VAL B 58 6.656 104.669 2.832 1.00 23.21 H new ATOM 0 HB VAL B 58 6.124 106.988 1.342 1.00 23.08 H new ATOM 0 HG11 VAL B 58 8.245 107.786 1.869 1.00 21.61 H new ATOM 0 HG12 VAL B 58 7.350 107.680 3.171 1.00 21.61 H new ATOM 0 HG13 VAL B 58 8.444 106.575 2.870 1.00 21.61 H new ATOM 0 HG21 VAL B 58 7.968 106.249 0.008 1.00 24.41 H new ATOM 0 HG22 VAL B 58 8.140 104.995 0.960 1.00 24.41 H new ATOM 0 HG23 VAL B 58 6.849 105.130 0.053 1.00 24.41 H new ATOM 1741 N TRP B 59 4.599 106.801 3.928 1.00 26.47 N ATOM 1742 CA TRP B 59 3.972 107.350 5.114 1.00 24.90 C ATOM 1743 C TRP B 59 3.571 106.222 6.076 1.00 24.86 C ATOM 1744 O TRP B 59 3.744 106.334 7.290 1.00 24.66 O ATOM 1745 CB TRP B 59 2.750 108.176 4.715 1.00 24.80 C ATOM 1746 CG TRP B 59 2.025 108.535 5.856 1.00 28.24 C ATOM 1747 CD1 TRP B 59 2.306 109.533 6.685 1.00 28.25 C ATOM 1748 CD2 TRP B 59 0.940 107.812 6.444 1.00 32.14 C ATOM 1749 NE1 TRP B 59 1.439 109.540 7.754 1.00 29.48 N ATOM 1750 CE2 TRP B 59 0.588 108.481 7.632 1.00 30.39 C ATOM 1751 CE3 TRP B 59 0.216 106.690 6.065 1.00 32.15 C ATOM 1752 CZ2 TRP B 59 -0.441 108.065 8.447 1.00 28.86 C ATOM 1753 CZ3 TRP B 59 -0.828 106.275 6.887 1.00 31.63 C ATOM 1754 CH2 TRP B 59 -1.133 106.958 8.064 1.00 30.18 C ATOM 0 H TRP B 59 4.236 107.059 3.192 1.00 26.47 H new ATOM 0 HA TRP B 59 4.605 107.927 5.570 1.00 24.90 H new ATOM 0 HB2 TRP B 59 3.030 108.972 4.236 1.00 24.80 H new ATOM 0 HB3 TRP B 59 2.187 107.665 4.112 1.00 24.80 H new ATOM 0 HD1 TRP B 59 2.995 110.145 6.560 1.00 28.25 H new ATOM 0 HE1 TRP B 59 1.435 110.116 8.393 1.00 29.48 H new ATOM 0 HE3 TRP B 59 0.422 106.229 5.284 1.00 32.15 H new ATOM 0 HZ2 TRP B 59 -0.654 108.522 9.228 1.00 28.86 H new ATOM 0 HZ3 TRP B 59 -1.330 105.530 6.647 1.00 31.63 H new ATOM 0 HH2 TRP B 59 -1.827 106.649 8.601 1.00 30.18 H new ATOM 1755 N LEU B 60 3.032 105.148 5.520 1.00 24.22 N ATOM 1756 CA LEU B 60 2.440 104.142 6.338 1.00 25.87 C ATOM 1757 C LEU B 60 3.517 103.481 7.099 1.00 27.35 C ATOM 1758 O LEU B 60 3.390 103.212 8.304 1.00 26.79 O ATOM 1759 CB LEU B 60 1.691 103.111 5.508 1.00 26.41 C ATOM 1760 CG LEU B 60 1.178 101.879 6.289 1.00 28.06 C ATOM 1761 CD1 LEU B 60 0.129 102.232 7.333 1.00 27.73 C ATOM 1762 CD2 LEU B 60 0.555 100.867 5.348 1.00 30.46 C ATOM 0 H LEU B 60 3.005 104.995 4.674 1.00 24.22 H new ATOM 0 HA LEU B 60 1.796 104.556 6.933 1.00 25.87 H new ATOM 0 HB2 LEU B 60 0.934 103.546 5.086 1.00 26.41 H new ATOM 0 HB3 LEU B 60 2.275 102.804 4.797 1.00 26.41 H new ATOM 0 HG LEU B 60 1.958 101.513 6.735 1.00 28.06 H new ATOM 0 HD11 LEU B 60 -0.156 101.426 7.791 1.00 27.73 H new ATOM 0 HD12 LEU B 60 0.508 102.852 7.976 1.00 27.73 H new ATOM 0 HD13 LEU B 60 -0.634 102.644 6.899 1.00 27.73 H new ATOM 0 HD21 LEU B 60 0.240 100.103 5.856 1.00 30.46 H new ATOM 0 HD22 LEU B 60 -0.192 101.275 4.882 1.00 30.46 H new ATOM 0 HD23 LEU B 60 1.217 100.574 4.703 1.00 30.46 H new ATOM 1763 N ARG B 61 4.594 103.185 6.393 1.00 29.91 N ATOM 1764 CA ARG B 61 5.677 102.470 7.020 1.00 29.82 C ATOM 1765 C ARG B 61 6.316 103.272 8.123 1.00 29.68 C ATOM 1766 O ARG B 61 6.684 102.711 9.155 1.00 29.16 O ATOM 1767 CB ARG B 61 6.708 102.156 6.023 1.00 31.45 C ATOM 1768 CG ARG B 61 7.751 101.201 6.564 1.00 34.25 C ATOM 1769 CD ARG B 61 8.786 100.949 5.491 1.00 35.90 C ATOM 1770 NE ARG B 61 9.641 99.848 5.875 1.00 35.39 N ATOM 1771 CZ ARG B 61 10.720 99.976 6.625 1.00 36.56 C ATOM 1772 NH1 ARG B 61 11.113 101.160 7.036 1.00 34.80 N ATOM 1773 NH2 ARG B 61 11.424 98.904 6.949 1.00 39.42 N ATOM 0 H ARG B 61 4.714 103.386 5.565 1.00 29.91 H new ATOM 0 HA ARG B 61 5.304 101.659 7.400 1.00 29.82 H new ATOM 0 HB2 ARG B 61 6.290 101.766 5.239 1.00 31.45 H new ATOM 0 HB3 ARG B 61 7.140 102.976 5.736 1.00 31.45 H new ATOM 0 HG2 ARG B 61 8.171 101.575 7.354 1.00 34.25 H new ATOM 0 HG3 ARG B 61 7.335 100.367 6.832 1.00 34.25 H new ATOM 0 HD2 ARG B 61 8.348 100.749 4.649 1.00 35.90 H new ATOM 0 HD3 ARG B 61 9.318 101.748 5.351 1.00 35.90 H new ATOM 0 HE ARG B 61 9.434 99.061 5.598 1.00 35.39 H new ATOM 0 HH11 ARG B 61 10.666 101.861 6.817 1.00 34.80 H new ATOM 0 HH12 ARG B 61 11.817 101.234 7.524 1.00 34.80 H new ATOM 0 HH21 ARG B 61 11.178 98.128 6.671 1.00 39.42 H new ATOM 0 HH22 ARG B 61 12.127 98.983 7.437 1.00 39.42 H new ATOM 1774 N GLN B 62 6.421 104.577 7.953 1.00 30.81 N ATOM 1775 CA GLN B 62 7.091 105.328 8.995 1.00 34.76 C ATOM 1776 C GLN B 62 6.129 105.469 10.155 1.00 30.70 C ATOM 1777 O GLN B 62 6.542 105.439 11.299 1.00 26.45 O ATOM 1778 CB GLN B 62 7.720 106.664 8.500 1.00 42.58 C ATOM 1779 CG GLN B 62 6.807 107.851 8.183 1.00 52.87 C ATOM 1780 CD GLN B 62 6.195 108.642 9.386 1.00 58.13 C ATOM 1781 OE1 GLN B 62 6.760 108.703 10.483 1.00 61.66 O ATOM 1782 NE2 GLN B 62 5.019 109.250 9.160 1.00 60.68 N ATOM 0 H GLN B 62 6.129 105.028 7.281 1.00 30.81 H new ATOM 0 HA GLN B 62 7.873 104.841 9.300 1.00 34.76 H new ATOM 0 HB2 GLN B 62 8.353 106.955 9.175 1.00 42.58 H new ATOM 0 HB3 GLN B 62 8.230 106.467 7.699 1.00 42.58 H new ATOM 0 HG2 GLN B 62 7.310 108.477 7.640 1.00 52.87 H new ATOM 0 HG3 GLN B 62 6.075 107.526 7.636 1.00 52.87 H new ATOM 0 HE21 GLN B 62 4.647 109.192 8.387 1.00 60.68 H new ATOM 0 HE22 GLN B 62 4.638 109.697 9.788 1.00 60.68 H new ATOM 1783 N ARG B 63 4.837 105.557 9.858 1.00 31.42 N ATOM 1784 CA ARG B 63 3.874 105.721 10.908 1.00 32.31 C ATOM 1785 C ARG B 63 3.884 104.459 11.745 1.00 31.11 C ATOM 1786 O ARG B 63 4.013 104.530 12.974 1.00 30.74 O ATOM 1787 CB ARG B 63 2.501 106.013 10.364 1.00 37.51 C ATOM 1788 CG ARG B 63 1.496 106.442 11.408 1.00 47.57 C ATOM 1789 CD ARG B 63 2.062 107.509 12.358 1.00 61.37 C ATOM 1790 NE ARG B 63 1.093 108.520 12.801 1.00 77.21 N ATOM 1791 CZ ARG B 63 0.028 108.297 13.586 1.00 90.18 C ATOM 1792 NH1 ARG B 63 -0.264 107.078 14.044 1.00 88.25 N ATOM 1793 NH2 ARG B 63 -0.774 109.312 13.926 1.00 99.98 N ATOM 0 H ARG B 63 4.511 105.523 9.063 1.00 31.42 H new ATOM 0 HA ARG B 63 4.111 106.485 11.456 1.00 32.31 H new ATOM 0 HB2 ARG B 63 2.572 106.710 9.693 1.00 37.51 H new ATOM 0 HB3 ARG B 63 2.167 105.220 9.915 1.00 37.51 H new ATOM 0 HG2 ARG B 63 0.705 106.790 10.968 1.00 47.57 H new ATOM 0 HG3 ARG B 63 1.217 105.669 11.923 1.00 47.57 H new ATOM 0 HD2 ARG B 63 2.428 107.066 13.140 1.00 61.37 H new ATOM 0 HD3 ARG B 63 2.799 107.958 11.916 1.00 61.37 H new ATOM 0 HE ARG B 63 1.220 109.327 12.533 1.00 77.21 H new ATOM 0 HH11 ARG B 63 0.236 106.410 13.837 1.00 88.25 H new ATOM 0 HH12 ARG B 63 -0.952 106.961 14.546 1.00 88.25 H new ATOM 0 HH21 ARG B 63 -0.607 110.106 13.641 1.00 99.98 H new ATOM 0 HH22 ARG B 63 -1.457 109.170 14.429 1.00 99.98 H new ATOM 1794 N LEU B 64 3.843 103.304 11.091 1.00 28.14 N ATOM 1795 CA LEU B 64 3.853 102.063 11.812 1.00 28.27 C ATOM 1796 C LEU B 64 5.102 101.927 12.639 1.00 32.72 C ATOM 1797 O LEU B 64 5.042 101.413 13.774 1.00 34.53 O ATOM 1798 CB LEU B 64 3.768 100.873 10.884 1.00 27.02 C ATOM 1799 CG LEU B 64 2.416 100.664 10.207 1.00 27.42 C ATOM 1800 CD1 LEU B 64 2.507 99.534 9.220 1.00 27.83 C ATOM 1801 CD2 LEU B 64 1.334 100.333 11.200 1.00 28.15 C ATOM 0 H LEU B 64 3.809 103.228 10.235 1.00 28.14 H new ATOM 0 HA LEU B 64 3.073 102.076 12.388 1.00 28.27 H new ATOM 0 HB2 LEU B 64 4.445 100.970 10.196 1.00 27.02 H new ATOM 0 HB3 LEU B 64 3.987 100.073 11.388 1.00 27.02 H new ATOM 0 HG LEU B 64 2.189 101.496 9.762 1.00 27.42 H new ATOM 0 HD11 LEU B 64 1.645 99.406 8.794 1.00 27.83 H new ATOM 0 HD12 LEU B 64 3.172 99.745 8.547 1.00 27.83 H new ATOM 0 HD13 LEU B 64 2.762 98.720 9.682 1.00 27.83 H new ATOM 0 HD21 LEU B 64 0.493 100.208 10.733 1.00 28.15 H new ATOM 0 HD22 LEU B 64 1.566 99.518 11.672 1.00 28.15 H new ATOM 0 HD23 LEU B 64 1.245 101.060 11.836 1.00 28.15 H new ATOM 1802 N GLN B 65 6.232 102.368 12.082 1.00 35.47 N ATOM 1803 CA GLN B 65 7.503 102.152 12.743 1.00 38.38 C ATOM 1804 C GLN B 65 7.452 102.944 14.001 1.00 39.75 C ATOM 1805 O GLN B 65 7.849 102.468 15.062 1.00 45.23 O ATOM 1806 CB GLN B 65 8.698 102.565 11.865 1.00 40.32 C ATOM 1807 CG GLN B 65 10.085 102.317 12.472 1.00 43.66 C ATOM 1808 CD GLN B 65 10.414 100.838 12.733 1.00 48.20 C ATOM 1809 OE1 GLN B 65 10.990 100.128 11.858 1.00 51.39 O ATOM 1810 NE2 GLN B 65 10.055 100.353 13.942 1.00 47.15 N ATOM 0 H GLN B 65 6.277 102.788 11.333 1.00 35.47 H new ATOM 0 HA GLN B 65 7.637 101.208 12.923 1.00 38.38 H new ATOM 0 HB2 GLN B 65 8.641 102.086 11.023 1.00 40.32 H new ATOM 0 HB3 GLN B 65 8.617 103.510 11.660 1.00 40.32 H new ATOM 0 HG2 GLN B 65 10.756 102.685 11.876 1.00 43.66 H new ATOM 0 HG3 GLN B 65 10.151 102.803 13.309 1.00 43.66 H new ATOM 0 HE21 GLN B 65 9.665 100.865 14.512 1.00 47.15 H new ATOM 0 HE22 GLN B 65 10.217 99.532 14.141 1.00 47.15 H new ATOM 1811 N SER B 66 6.913 104.139 13.930 1.00 35.71 N ATOM 1812 CA SER B 66 6.948 104.918 15.113 1.00 39.45 C ATOM 1813 C SER B 66 5.923 104.502 16.198 1.00 38.16 C ATOM 1814 O SER B 66 5.990 105.015 17.263 1.00 37.99 O ATOM 1815 CB SER B 66 6.783 106.365 14.763 1.00 39.61 C ATOM 1816 OG SER B 66 5.445 106.492 14.474 1.00 47.56 O ATOM 0 H SER B 66 6.542 104.495 13.240 1.00 35.71 H new ATOM 0 HA SER B 66 7.816 104.757 15.515 1.00 39.45 H new ATOM 0 HB2 SER B 66 7.042 106.940 15.500 1.00 39.61 H new ATOM 0 HB3 SER B 66 7.334 106.611 14.004 1.00 39.61 H new ATOM 0 HG SER B 66 5.203 105.856 13.981 1.00 47.56 H new ATOM 1817 N ASN B 67 4.978 103.602 15.962 1.00 42.98 N ATOM 1818 CA ASN B 67 4.083 103.152 17.061 1.00 42.89 C ATOM 1819 C ASN B 67 4.499 101.796 17.560 1.00 44.10 C ATOM 1820 O ASN B 67 3.976 101.324 18.588 1.00 45.80 O ATOM 1821 CB ASN B 67 2.610 103.077 16.651 1.00 44.43 C ATOM 1822 CG ASN B 67 2.094 104.370 16.049 1.00 50.96 C ATOM 1823 OD1 ASN B 67 1.349 104.367 15.057 1.00 53.57 O ATOM 1824 ND2 ASN B 67 2.515 105.495 16.629 1.00 57.61 N ATOM 0 H ASN B 67 4.828 103.238 15.197 1.00 42.98 H new ATOM 0 HA ASN B 67 4.169 103.821 17.758 1.00 42.89 H new ATOM 0 HB2 ASN B 67 2.495 102.359 16.009 1.00 44.43 H new ATOM 0 HB3 ASN B 67 2.075 102.852 17.428 1.00 44.43 H new ATOM 0 HD21 ASN B 67 2.270 106.258 16.316 1.00 57.61 H new ATOM 0 HD22 ASN B 67 3.031 105.458 17.316 1.00 57.61 H new ATOM 1825 N ALA B 68 5.437 101.182 16.836 1.00 41.55 N ATOM 1826 CA ALA B 68 5.971 99.885 17.202 1.00 43.50 C ATOM 1827 C ALA B 68 7.501 99.920 17.127 1.00 46.26 C ATOM 1828 O ALA B 68 8.152 99.296 16.270 1.00 48.36 O ATOM 1829 CB ALA B 68 5.412 98.818 16.301 1.00 41.47 C ATOM 0 H ALA B 68 5.777 101.513 16.119 1.00 41.55 H new ATOM 0 HA ALA B 68 5.710 99.675 18.112 1.00 43.50 H new ATOM 0 HB1 ALA B 68 5.776 97.956 16.555 1.00 41.47 H new ATOM 0 HB2 ALA B 68 4.446 98.798 16.384 1.00 41.47 H new ATOM 0 HB3 ALA B 68 5.653 99.012 15.382 1.00 41.47 H new ATOM 1830 N LEU B 69 8.092 100.651 18.052 1.00 45.17 N ATOM 1831 CA LEU B 69 9.472 100.937 17.894 1.00 42.99 C ATOM 1832 C LEU B 69 10.340 99.709 18.097 1.00 42.88 C ATOM 1833 O LEU B 69 11.457 99.735 17.688 1.00 47.11 O ATOM 1834 CB LEU B 69 9.870 102.170 18.688 1.00 43.61 C ATOM 1835 CG LEU B 69 9.556 102.159 20.147 1.00 49.56 C ATOM 1836 CD1 LEU B 69 10.580 101.349 20.931 1.00 52.89 C ATOM 1837 CD2 LEU B 69 9.444 103.600 20.634 1.00 52.30 C ATOM 0 H LEU B 69 7.715 100.976 18.753 1.00 45.17 H new ATOM 0 HA LEU B 69 9.640 101.177 16.969 1.00 42.99 H new ATOM 0 HB2 LEU B 69 10.826 102.301 18.585 1.00 43.61 H new ATOM 0 HB3 LEU B 69 9.434 102.940 18.290 1.00 43.61 H new ATOM 0 HG LEU B 69 8.706 101.717 20.298 1.00 49.56 H new ATOM 0 HD11 LEU B 69 10.349 101.361 21.873 1.00 52.89 H new ATOM 0 HD12 LEU B 69 10.583 100.433 20.611 1.00 52.89 H new ATOM 0 HD13 LEU B 69 11.461 101.736 20.809 1.00 52.89 H new ATOM 0 HD21 LEU B 69 9.240 103.606 21.582 1.00 52.30 H new ATOM 0 HD22 LEU B 69 10.285 104.060 20.482 1.00 52.30 H new ATOM 0 HD23 LEU B 69 8.736 104.052 20.148 1.00 52.30 H new ATOM 1838 N LEU B 70 9.830 98.602 18.619 1.00 46.35 N ATOM 1839 CA LEU B 70 10.625 97.361 18.642 1.00 47.40 C ATOM 1840 C LEU B 70 10.387 96.356 17.517 1.00 48.96 C ATOM 1841 O LEU B 70 10.909 95.248 17.587 1.00 49.60 O ATOM 1842 CB LEU B 70 10.438 96.583 19.944 1.00 50.67 C ATOM 1843 CG LEU B 70 10.325 97.293 21.295 1.00 52.36 C ATOM 1844 CD1 LEU B 70 9.750 96.322 22.317 1.00 51.34 C ATOM 1845 CD2 LEU B 70 11.666 97.859 21.743 1.00 52.89 C ATOM 0 H LEU B 70 9.043 98.538 18.961 1.00 46.35 H new ATOM 0 HA LEU B 70 11.521 97.717 18.533 1.00 47.40 H new ATOM 0 HB2 LEU B 70 9.635 96.048 19.839 1.00 50.67 H new ATOM 0 HB3 LEU B 70 11.183 95.966 20.012 1.00 50.67 H new ATOM 0 HG LEU B 70 9.726 98.051 21.209 1.00 52.36 H new ATOM 0 HD11 LEU B 70 9.675 96.764 23.177 1.00 51.34 H new ATOM 0 HD12 LEU B 70 8.872 96.029 22.027 1.00 51.34 H new ATOM 0 HD13 LEU B 70 10.336 95.554 22.399 1.00 51.34 H new ATOM 0 HD21 LEU B 70 11.561 98.301 22.600 1.00 52.89 H new ATOM 0 HD22 LEU B 70 12.309 97.138 21.829 1.00 52.89 H new ATOM 0 HD23 LEU B 70 11.983 98.499 21.086 1.00 52.89 H new ATOM 1846 N VAL B 71 9.612 96.694 16.499 1.00 50.79 N ATOM 1847 CA VAL B 71 9.421 95.766 15.385 1.00 52.27 C ATOM 1848 C VAL B 71 10.236 96.217 14.175 1.00 54.07 C ATOM 1849 O VAL B 71 10.239 97.409 13.879 1.00 49.27 O ATOM 1850 CB VAL B 71 7.948 95.658 14.951 1.00 54.03 C ATOM 1851 CG1 VAL B 71 7.764 94.458 14.047 1.00 56.52 C ATOM 1852 CG2 VAL B 71 7.003 95.514 16.123 1.00 53.95 C ATOM 0 H VAL B 71 9.192 97.441 16.429 1.00 50.79 H new ATOM 0 HA VAL B 71 9.716 94.898 15.701 1.00 52.27 H new ATOM 0 HB VAL B 71 7.736 96.483 14.487 1.00 54.03 H new ATOM 0 HG11 VAL B 71 6.834 94.395 13.777 1.00 56.52 H new ATOM 0 HG12 VAL B 71 8.323 94.557 13.260 1.00 56.52 H new ATOM 0 HG13 VAL B 71 8.017 93.652 14.524 1.00 56.52 H new ATOM 0 HG21 VAL B 71 6.091 95.450 15.798 1.00 53.95 H new ATOM 0 HG22 VAL B 71 7.225 94.712 16.621 1.00 53.95 H new ATOM 0 HG23 VAL B 71 7.086 96.287 16.702 1.00 53.95 H new ATOM 1853 N GLN B 72 10.913 95.270 13.488 1.00 59.22 N ATOM 1854 CA GLN B 72 11.534 95.516 12.153 1.00 64.22 C ATOM 1855 C GLN B 72 10.482 95.394 11.094 1.00 54.69 C ATOM 1856 O GLN B 72 9.988 94.304 10.845 1.00 48.39 O ATOM 1857 CB GLN B 72 12.581 94.479 11.772 1.00 75.97 C ATOM 1858 CG GLN B 72 13.948 94.675 12.385 1.00 93.00 C ATOM 1859 CD GLN B 72 14.854 93.460 12.135 1.00107.02 C ATOM 1860 OE1 GLN B 72 14.532 92.570 11.336 1.00116.40 O ATOM 1861 NE2 GLN B 72 15.973 93.404 12.842 1.00103.98 N ATOM 0 H GLN B 72 11.026 94.469 13.779 1.00 59.22 H new ATOM 0 HA GLN B 72 11.942 96.394 12.213 1.00 64.22 H new ATOM 0 HB2 GLN B 72 12.253 93.603 12.027 1.00 75.97 H new ATOM 0 HB3 GLN B 72 12.675 94.477 10.807 1.00 75.97 H new ATOM 0 HG2 GLN B 72 14.360 95.470 12.013 1.00 93.00 H new ATOM 0 HG3 GLN B 72 13.858 94.823 13.339 1.00 93.00 H new ATOM 0 HE21 GLN B 72 16.168 94.038 13.389 1.00103.98 H new ATOM 0 HE22 GLN B 72 16.504 92.733 12.754 1.00103.98 H new ATOM 1862 N LEU B 73 10.147 96.511 10.476 1.00 46.20 N ATOM 1863 CA LEU B 73 9.198 96.507 9.397 1.00 42.06 C ATOM 1864 C LEU B 73 9.773 95.950 8.127 1.00 37.34 C ATOM 1865 O LEU B 73 10.847 96.316 7.701 1.00 35.24 O ATOM 1866 CB LEU B 73 8.683 97.924 9.189 1.00 44.85 C ATOM 1867 CG LEU B 73 7.632 98.113 10.288 1.00 47.01 C ATOM 1868 CD1 LEU B 73 7.589 99.488 10.867 1.00 48.44 C ATOM 1869 CD2 LEU B 73 6.266 97.820 9.731 1.00 49.88 C ATOM 0 H LEU B 73 10.464 97.286 10.672 1.00 46.20 H new ATOM 0 HA LEU B 73 8.464 95.921 9.638 1.00 42.06 H new ATOM 0 HB2 LEU B 73 9.398 98.575 9.268 1.00 44.85 H new ATOM 0 HB3 LEU B 73 8.295 98.033 8.307 1.00 44.85 H new ATOM 0 HG LEU B 73 7.887 97.502 10.997 1.00 47.01 H new ATOM 0 HD11 LEU B 73 6.903 99.530 11.552 1.00 48.44 H new ATOM 0 HD12 LEU B 73 8.450 99.701 11.259 1.00 48.44 H new ATOM 0 HD13 LEU B 73 7.385 100.128 10.167 1.00 48.44 H new ATOM 0 HD21 LEU B 73 5.600 97.939 10.426 1.00 49.88 H new ATOM 0 HD22 LEU B 73 6.079 98.426 8.997 1.00 49.88 H new ATOM 0 HD23 LEU B 73 6.237 96.905 9.410 1.00 49.88 H new ATOM 1870 N PRO B 74 9.027 95.087 7.472 1.00 35.99 N ATOM 1871 CA PRO B 74 9.555 94.754 6.163 1.00 36.55 C ATOM 1872 C PRO B 74 9.848 95.983 5.270 1.00 34.01 C ATOM 1873 O PRO B 74 9.215 96.987 5.430 1.00 28.97 O ATOM 1874 CB PRO B 74 8.446 93.931 5.545 1.00 37.32 C ATOM 1875 CG PRO B 74 7.217 94.406 6.211 1.00 37.88 C ATOM 1876 CD PRO B 74 7.591 94.828 7.588 1.00 34.69 C ATOM 0 HA PRO B 74 10.410 94.302 6.241 1.00 36.55 H new ATOM 0 HB2 PRO B 74 8.401 94.063 4.585 1.00 37.32 H new ATOM 0 HB3 PRO B 74 8.585 92.983 5.695 1.00 37.32 H new ATOM 0 HG2 PRO B 74 6.828 95.147 5.721 1.00 37.88 H new ATOM 0 HG3 PRO B 74 6.550 93.702 6.239 1.00 37.88 H new ATOM 0 HD2 PRO B 74 7.104 95.620 7.866 1.00 34.69 H new ATOM 0 HD3 PRO B 74 7.402 94.135 8.240 1.00 34.69 H new ATOM 1877 N GLU B 75 10.829 95.885 4.376 1.00 36.45 N ATOM 1878 CA GLU B 75 11.172 96.980 3.477 1.00 41.85 C ATOM 1879 C GLU B 75 10.163 97.163 2.368 1.00 36.95 C ATOM 1880 O GLU B 75 9.389 96.267 2.064 1.00 29.89 O ATOM 1881 CB GLU B 75 12.498 96.730 2.801 1.00 52.86 C ATOM 1882 CG GLU B 75 13.702 96.783 3.729 1.00 62.37 C ATOM 1883 CD GLU B 75 14.780 95.803 3.260 1.00 71.88 C ATOM 1884 OE1 GLU B 75 15.431 96.038 2.206 1.00 71.11 O ATOM 1885 OE2 GLU B 75 14.930 94.755 3.930 1.00 71.86 O ATOM 0 H GLU B 75 11.313 95.182 4.275 1.00 36.45 H new ATOM 0 HA GLU B 75 11.197 97.770 4.039 1.00 41.85 H new ATOM 0 HB2 GLU B 75 12.471 95.859 2.375 1.00 52.86 H new ATOM 0 HB3 GLU B 75 12.618 97.387 2.097 1.00 52.86 H new ATOM 0 HG2 GLU B 75 14.062 97.683 3.750 1.00 62.37 H new ATOM 0 HG3 GLU B 75 13.430 96.565 4.634 1.00 62.37 H new ATOM 1886 N LEU B 76 10.194 98.356 1.791 1.00 32.92 N ATOM 1887 CA LEU B 76 9.411 98.700 0.619 1.00 32.96 C ATOM 1888 C LEU B 76 10.280 98.554 -0.592 1.00 32.08 C ATOM 1889 O LEU B 76 11.482 98.724 -0.521 1.00 31.86 O ATOM 1890 CB LEU B 76 8.962 100.168 0.692 1.00 32.12 C ATOM 1891 CG LEU B 76 7.801 100.356 1.642 1.00 31.51 C ATOM 1892 CD1 LEU B 76 7.569 101.828 1.958 1.00 32.36 C ATOM 1893 CD2 LEU B 76 6.543 99.761 1.046 1.00 30.74 C ATOM 0 H LEU B 76 10.683 99.002 2.078 1.00 32.92 H new ATOM 0 HA LEU B 76 8.636 98.119 0.575 1.00 32.96 H new ATOM 0 HB2 LEU B 76 9.707 100.720 0.979 1.00 32.12 H new ATOM 0 HB3 LEU B 76 8.708 100.472 -0.193 1.00 32.12 H new ATOM 0 HG LEU B 76 8.020 99.900 2.470 1.00 31.51 H new ATOM 0 HD11 LEU B 76 6.820 101.914 2.568 1.00 32.36 H new ATOM 0 HD12 LEU B 76 8.365 102.200 2.369 1.00 32.36 H new ATOM 0 HD13 LEU B 76 7.375 102.308 1.138 1.00 32.36 H new ATOM 0 HD21 LEU B 76 5.803 99.885 1.661 1.00 30.74 H new ATOM 0 HD22 LEU B 76 6.342 100.203 0.206 1.00 30.74 H new ATOM 0 HD23 LEU B 76 6.676 98.813 0.889 1.00 30.74 H new ATOM 1894 N PRO B 77 9.673 98.335 -1.739 1.00 32.99 N ATOM 1895 CA PRO B 77 10.498 98.345 -2.929 1.00 35.50 C ATOM 1896 C PRO B 77 11.238 99.695 -3.064 1.00 38.01 C ATOM 1897 O PRO B 77 10.647 100.708 -2.741 1.00 32.34 O ATOM 1898 CB PRO B 77 9.481 98.080 -4.030 1.00 37.03 C ATOM 1899 CG PRO B 77 8.222 98.691 -3.530 1.00 37.75 C ATOM 1900 CD PRO B 77 8.243 98.493 -2.046 1.00 35.55 C ATOM 0 HA PRO B 77 11.215 97.691 -2.939 1.00 35.50 H new ATOM 0 HB2 PRO B 77 9.758 98.479 -4.870 1.00 37.03 H new ATOM 0 HB3 PRO B 77 9.373 97.129 -4.190 1.00 37.03 H new ATOM 0 HG2 PRO B 77 8.177 99.633 -3.756 1.00 37.75 H new ATOM 0 HG3 PRO B 77 7.446 98.267 -3.928 1.00 37.75 H new ATOM 0 HD2 PRO B 77 7.860 99.252 -1.579 1.00 35.55 H new ATOM 0 HD3 PRO B 77 7.733 97.711 -1.783 1.00 35.55 H new ATOM 1901 N SER B 78 12.498 99.687 -3.549 1.00 47.85 N ATOM 1902 CA SER B 78 13.471 100.808 -3.415 1.00 53.86 C ATOM 1903 C SER B 78 13.884 101.651 -4.626 1.00 60.36 C ATOM 1904 O SER B 78 14.718 102.551 -4.504 1.00 65.45 O ATOM 1905 CB SER B 78 14.760 100.254 -2.852 1.00 59.64 C ATOM 1906 OG SER B 78 15.046 100.883 -1.627 1.00 70.54 O ATOM 0 H SER B 78 12.821 99.014 -3.976 1.00 47.85 H new ATOM 0 HA SER B 78 12.962 101.424 -2.865 1.00 53.86 H new ATOM 0 HB2 SER B 78 14.683 99.296 -2.724 1.00 59.64 H new ATOM 0 HB3 SER B 78 15.486 100.399 -3.478 1.00 59.64 H new ATOM 0 HG SER B 78 15.762 100.574 -1.314 1.00 70.54 H new ATOM 1907 N LYS B 79 13.339 101.345 -5.788 1.00 72.99 N ATOM 1908 CA LYS B 79 13.715 101.978 -7.039 1.00 84.58 C ATOM 1909 C LYS B 79 12.732 103.135 -7.361 1.00 80.11 C ATOM 1910 O LYS B 79 11.884 102.974 -8.228 1.00 77.11 O ATOM 1911 CB LYS B 79 13.678 100.878 -8.124 1.00 88.89 C ATOM 1912 CG LYS B 79 14.547 101.076 -9.370 1.00 95.72 C ATOM 1913 CD LYS B 79 13.971 100.343 -10.614 1.00 89.43 C ATOM 1914 CE LYS B 79 12.534 100.818 -10.963 1.00 89.93 C ATOM 1915 NZ LYS B 79 11.429 99.880 -10.534 1.00 86.86 N ATOM 0 H LYS B 79 12.725 100.749 -5.875 1.00 72.99 H new ATOM 0 HA LYS B 79 14.602 102.367 -6.993 1.00 84.58 H new ATOM 0 HB2 LYS B 79 13.938 100.041 -7.709 1.00 88.89 H new ATOM 0 HB3 LYS B 79 12.758 100.777 -8.415 1.00 88.89 H new ATOM 0 HG2 LYS B 79 14.622 102.024 -9.562 1.00 95.72 H new ATOM 0 HG3 LYS B 79 15.443 100.751 -9.192 1.00 95.72 H new ATOM 0 HD2 LYS B 79 14.553 100.494 -11.375 1.00 89.43 H new ATOM 0 HD3 LYS B 79 13.963 99.387 -10.449 1.00 89.43 H new ATOM 0 HE2 LYS B 79 12.384 101.683 -10.550 1.00 89.93 H new ATOM 0 HE3 LYS B 79 12.475 100.948 -11.922 1.00 89.93 H new ATOM 0 HZ1 LYS B 79 10.916 99.685 -11.235 1.00 86.86 H new ATOM 0 HZ2 LYS B 79 11.784 99.131 -10.209 1.00 86.86 H new ATOM 0 HZ3 LYS B 79 10.935 100.271 -9.905 1.00 86.86 H new ATOM 1916 N ASN B 80 12.877 104.286 -6.689 1.00 72.80 N ATOM 1917 CA ASN B 80 11.867 105.410 -6.742 1.00 70.66 C ATOM 1918 C ASN B 80 12.200 106.600 -7.649 1.00 60.63 C ATOM 1919 O ASN B 80 11.325 107.211 -8.262 1.00 55.97 O ATOM 1920 CB ASN B 80 11.548 105.989 -5.338 1.00 67.31 C ATOM 1921 CG ASN B 80 12.540 105.558 -4.285 1.00 73.42 C ATOM 1922 OD1 ASN B 80 12.166 104.974 -3.270 1.00 76.56 O ATOM 1923 ND2 ASN B 80 13.820 105.823 -4.528 1.00 73.51 N ATOM 0 H ASN B 80 13.554 104.454 -6.187 1.00 72.80 H new ATOM 0 HA ASN B 80 11.105 104.955 -7.132 1.00 70.66 H new ATOM 0 HB2 ASN B 80 11.537 106.958 -5.388 1.00 67.31 H new ATOM 0 HB3 ASN B 80 10.658 105.708 -5.072 1.00 67.31 H new ATOM 0 HD21 ASN B 80 14.423 105.584 -3.964 1.00 73.51 H new ATOM 0 HD22 ASN B 80 14.045 106.234 -5.249 1.00 73.51 H new ATOM 1924 N LEU B 81 13.466 106.942 -7.700 1.00 56.91 N ATOM 1925 CA LEU B 81 13.926 108.084 -8.463 1.00 55.98 C ATOM 1926 C LEU B 81 13.995 107.664 -9.897 1.00 60.20 C ATOM 1927 O LEU B 81 13.479 108.324 -10.777 1.00 53.52 O ATOM 1928 CB LEU B 81 15.320 108.451 -7.966 1.00 49.21 C ATOM 1929 CG LEU B 81 15.237 108.954 -6.543 1.00 42.62 C ATOM 1930 CD1 LEU B 81 16.476 108.554 -5.813 1.00 38.45 C ATOM 1931 CD2 LEU B 81 14.990 110.452 -6.530 1.00 41.84 C ATOM 0 H LEU B 81 14.092 106.517 -7.291 1.00 56.91 H new ATOM 0 HA LEU B 81 13.334 108.847 -8.366 1.00 55.98 H new ATOM 0 HB2 LEU B 81 15.903 107.677 -8.011 1.00 49.21 H new ATOM 0 HB3 LEU B 81 15.708 109.132 -8.537 1.00 49.21 H new ATOM 0 HG LEU B 81 14.485 108.552 -6.081 1.00 42.62 H new ATOM 0 HD11 LEU B 81 16.430 108.873 -4.898 1.00 38.45 H new ATOM 0 HD12 LEU B 81 16.554 107.587 -5.814 1.00 38.45 H new ATOM 0 HD13 LEU B 81 17.250 108.941 -6.252 1.00 38.45 H new ATOM 0 HD21 LEU B 81 14.939 110.764 -5.613 1.00 41.84 H new ATOM 0 HD22 LEU B 81 15.718 110.904 -6.984 1.00 41.84 H new ATOM 0 HD23 LEU B 81 14.155 110.646 -6.984 1.00 41.84 H new ATOM 1932 N PHE B 82 14.730 106.565 -10.070 1.00 75.59 N ATOM 1933 CA PHE B 82 14.804 105.740 -11.274 1.00 76.01 C ATOM 1934 C PHE B 82 13.403 105.597 -11.918 1.00 66.38 C ATOM 1935 O PHE B 82 13.270 105.886 -13.084 1.00 65.51 O ATOM 1936 CB PHE B 82 15.394 104.325 -10.935 1.00 85.14 C ATOM 1937 CG PHE B 82 16.346 104.261 -9.705 1.00 96.35 C ATOM 1938 CD1 PHE B 82 17.737 104.037 -9.849 1.00 94.97 C ATOM 1939 CD2 PHE B 82 15.828 104.339 -8.382 1.00 92.02 C ATOM 1940 CE1 PHE B 82 18.554 103.938 -8.713 1.00 96.11 C ATOM 1941 CE2 PHE B 82 16.649 104.240 -7.252 1.00 88.70 C ATOM 1942 CZ PHE B 82 18.006 104.030 -7.420 1.00 89.53 C ATOM 0 H PHE B 82 15.233 106.262 -9.442 1.00 75.59 H new ATOM 0 HA PHE B 82 15.394 106.176 -11.909 1.00 76.01 H new ATOM 0 HB2 PHE B 82 14.656 103.714 -10.783 1.00 85.14 H new ATOM 0 HB3 PHE B 82 15.876 104.000 -11.712 1.00 85.14 H new ATOM 0 HD1 PHE B 82 18.109 103.955 -10.697 1.00 94.97 H new ATOM 0 HD2 PHE B 82 14.913 104.460 -8.264 1.00 92.02 H new ATOM 0 HE1 PHE B 82 19.469 103.810 -8.816 1.00 96.11 H new ATOM 0 HE2 PHE B 82 16.286 104.315 -6.399 1.00 88.70 H new ATOM 0 HZ PHE B 82 18.558 103.949 -6.676 1.00 89.53 H new ATOM 1943 N PHE B 83 12.382 105.249 -11.110 1.00 56.67 N ATOM 1944 CA PHE B 83 11.054 104.710 -11.518 1.00 45.17 C ATOM 1945 C PHE B 83 10.363 105.474 -12.621 1.00 42.40 C ATOM 1946 O PHE B 83 10.237 106.680 -12.564 1.00 41.78 O ATOM 1947 CB PHE B 83 10.102 104.672 -10.281 1.00 41.18 C ATOM 1948 CG PHE B 83 8.711 104.089 -10.552 1.00 33.41 C ATOM 1949 CD1 PHE B 83 8.446 102.721 -10.360 1.00 32.98 C ATOM 1950 CD2 PHE B 83 7.677 104.894 -10.945 1.00 29.59 C ATOM 1951 CE1 PHE B 83 7.189 102.175 -10.597 1.00 30.81 C ATOM 1952 CE2 PHE B 83 6.430 104.356 -11.192 1.00 29.71 C ATOM 1953 CZ PHE B 83 6.181 102.998 -11.020 1.00 29.79 C ATOM 0 H PHE B 83 12.446 105.325 -10.256 1.00 56.67 H new ATOM 0 HA PHE B 83 11.239 103.825 -11.870 1.00 45.17 H new ATOM 0 HB2 PHE B 83 10.525 104.152 -9.580 1.00 41.18 H new ATOM 0 HB3 PHE B 83 9.999 105.575 -9.941 1.00 41.18 H new ATOM 0 HD1 PHE B 83 9.131 102.165 -10.066 1.00 32.98 H new ATOM 0 HD2 PHE B 83 7.815 105.808 -11.046 1.00 29.59 H new ATOM 0 HE1 PHE B 83 7.036 101.266 -10.470 1.00 30.81 H new ATOM 0 HE2 PHE B 83 5.742 104.912 -11.479 1.00 29.71 H new ATOM 0 HZ PHE B 83 5.335 102.652 -11.191 1.00 29.79 H new ATOM 1954 N ASN B 84 9.825 104.732 -13.578 1.00 40.94 N ATOM 1955 CA ASN B 84 9.213 105.282 -14.756 1.00 41.18 C ATOM 1956 C ASN B 84 7.890 104.582 -14.920 1.00 41.12 C ATOM 1957 O ASN B 84 7.829 103.426 -15.262 1.00 42.81 O ATOM 1958 CB ASN B 84 10.105 105.000 -15.966 1.00 42.02 C ATOM 1959 CG ASN B 84 9.462 105.354 -17.305 1.00 43.00 C ATOM 1960 OD1 ASN B 84 8.370 105.979 -17.402 1.00 40.89 O ATOM 1961 ND2 ASN B 84 10.163 104.966 -18.374 1.00 44.00 N ATOM 0 H ASN B 84 9.809 103.873 -13.552 1.00 40.94 H new ATOM 0 HA ASN B 84 9.092 106.241 -14.681 1.00 41.18 H new ATOM 0 HB2 ASN B 84 10.931 105.500 -15.872 1.00 42.02 H new ATOM 0 HB3 ASN B 84 10.342 104.059 -15.970 1.00 42.02 H new ATOM 0 HD21 ASN B 84 9.873 105.141 -19.165 1.00 44.00 H new ATOM 0 HD22 ASN B 84 10.904 104.542 -18.271 1.00 44.00 H new ATOM 1962 N MET B 85 6.823 105.328 -14.749 1.00 43.83 N ATOM 1963 CA MET B 85 5.520 104.787 -14.793 1.00 43.22 C ATOM 1964 C MET B 85 5.081 104.375 -16.166 1.00 44.43 C ATOM 1965 O MET B 85 3.933 104.019 -16.315 1.00 46.28 O ATOM 1966 CB MET B 85 4.560 105.839 -14.245 1.00 50.44 C ATOM 1967 CG MET B 85 4.277 107.041 -15.138 1.00 53.28 C ATOM 1968 SD MET B 85 3.442 108.373 -14.248 1.00 59.73 S ATOM 1969 CE MET B 85 4.827 108.838 -13.172 1.00 63.76 C ATOM 0 H MET B 85 6.850 106.175 -14.603 1.00 43.83 H new ATOM 0 HA MET B 85 5.519 103.977 -14.259 1.00 43.22 H new ATOM 0 HB2 MET B 85 3.716 105.404 -14.047 1.00 50.44 H new ATOM 0 HB3 MET B 85 4.916 106.164 -13.404 1.00 50.44 H new ATOM 0 HG2 MET B 85 5.112 107.373 -15.504 1.00 53.28 H new ATOM 0 HG3 MET B 85 3.729 106.762 -15.888 1.00 53.28 H new ATOM 0 HE1 MET B 85 4.797 109.792 -13.000 1.00 63.76 H new ATOM 0 HE2 MET B 85 4.761 108.356 -12.333 1.00 63.76 H new ATOM 0 HE3 MET B 85 5.664 108.614 -13.607 1.00 63.76 H new ATOM 1970 N ASN B 86 5.932 104.464 -17.183 1.00 49.19 N ATOM 1971 CA ASN B 86 5.572 103.956 -18.517 1.00 56.02 C ATOM 1972 C ASN B 86 6.292 102.672 -18.875 1.00 53.98 C ATOM 1973 O ASN B 86 6.218 102.174 -20.005 1.00 63.71 O ATOM 1974 CB ASN B 86 5.817 105.038 -19.560 1.00 65.22 C ATOM 1975 CG ASN B 86 4.720 106.080 -19.537 1.00 72.79 C ATOM 1976 OD1 ASN B 86 4.929 107.193 -19.053 1.00 70.92 O ATOM 1977 ND2 ASN B 86 3.510 105.690 -19.970 1.00 71.12 N ATOM 0 H ASN B 86 6.717 104.811 -17.129 1.00 49.19 H new ATOM 0 HA ASN B 86 4.628 103.733 -18.501 1.00 56.02 H new ATOM 0 HB2 ASN B 86 6.673 105.463 -19.394 1.00 65.22 H new ATOM 0 HB3 ASN B 86 5.866 104.636 -20.441 1.00 65.22 H new ATOM 0 HD21 ASN B 86 2.840 106.227 -19.915 1.00 71.12 H new ATOM 0 HD22 ASN B 86 3.405 104.904 -20.302 1.00 71.12 H new ATOM 1978 N ASN B 87 6.992 102.141 -17.895 1.00 46.76 N ATOM 1979 CA ASN B 87 7.708 100.938 -18.053 1.00 43.75 C ATOM 1980 C ASN B 87 6.924 99.868 -17.320 1.00 46.15 C ATOM 1981 O ASN B 87 6.998 99.769 -16.117 1.00 48.31 O ATOM 1982 CB ASN B 87 9.083 101.135 -17.456 1.00 42.45 C ATOM 1983 CG ASN B 87 9.902 99.894 -17.495 1.00 42.78 C ATOM 1984 OD1 ASN B 87 9.376 98.778 -17.407 1.00 38.98 O ATOM 1985 ND2 ASN B 87 11.200 100.065 -17.650 1.00 43.90 N ATOM 0 H ASN B 87 7.055 102.488 -17.111 1.00 46.76 H new ATOM 0 HA ASN B 87 7.817 100.677 -18.981 1.00 43.75 H new ATOM 0 HB2 ASN B 87 9.544 101.839 -17.938 1.00 42.45 H new ATOM 0 HB3 ASN B 87 8.994 101.432 -16.537 1.00 42.45 H new ATOM 0 HD21 ASN B 87 11.721 99.382 -17.694 1.00 43.90 H new ATOM 0 HD22 ASN B 87 11.525 100.859 -17.707 1.00 43.90 H new ATOM 1986 N ARG B 88 6.176 99.075 -18.075 1.00 51.16 N ATOM 1987 CA ARG B 88 5.294 98.038 -17.562 1.00 51.33 C ATOM 1988 C ARG B 88 5.961 97.263 -16.471 1.00 45.26 C ATOM 1989 O ARG B 88 5.323 96.914 -15.497 1.00 44.15 O ATOM 1990 CB ARG B 88 4.996 97.048 -18.696 1.00 60.90 C ATOM 1991 CG ARG B 88 3.609 96.431 -18.711 1.00 75.34 C ATOM 1992 CD ARG B 88 3.053 96.480 -20.124 1.00 84.88 C ATOM 1993 NE ARG B 88 2.678 97.849 -20.530 1.00 86.17 N ATOM 1994 CZ ARG B 88 2.385 98.224 -21.777 1.00 85.96 C ATOM 1995 NH1 ARG B 88 2.439 97.352 -22.780 1.00 77.95 N ATOM 1996 NH2 ARG B 88 2.063 99.497 -22.026 1.00 89.40 N ATOM 0 H ARG B 88 6.168 99.128 -18.933 1.00 51.16 H new ATOM 0 HA ARG B 88 4.489 98.460 -17.223 1.00 51.33 H new ATOM 0 HB2 ARG B 88 5.134 97.504 -19.541 1.00 60.90 H new ATOM 0 HB3 ARG B 88 5.647 96.330 -18.651 1.00 60.90 H new ATOM 0 HG2 ARG B 88 3.649 95.513 -18.399 1.00 75.34 H new ATOM 0 HG3 ARG B 88 3.023 96.911 -18.105 1.00 75.34 H new ATOM 0 HD2 ARG B 88 3.714 96.131 -20.742 1.00 84.88 H new ATOM 0 HD3 ARG B 88 2.276 95.903 -20.184 1.00 84.88 H new ATOM 0 HE ARG B 88 2.646 98.451 -19.916 1.00 86.17 H new ATOM 0 HH11 ARG B 88 2.665 96.536 -22.629 1.00 77.95 H new ATOM 0 HH12 ARG B 88 2.248 97.604 -23.580 1.00 77.95 H new ATOM 0 HH21 ARG B 88 2.045 100.069 -21.384 1.00 89.40 H new ATOM 0 HH22 ARG B 88 1.873 99.744 -22.828 1.00 89.40 H new ATOM 1997 N GLN B 89 7.233 96.958 -16.669 1.00 39.90 N ATOM 1998 CA GLN B 89 7.979 96.160 -15.728 1.00 44.12 C ATOM 1999 C GLN B 89 8.359 96.883 -14.427 1.00 41.50 C ATOM 2000 O GLN B 89 8.462 96.286 -13.359 1.00 39.61 O ATOM 2001 CB GLN B 89 9.238 95.658 -16.385 1.00 50.99 C ATOM 2002 CG GLN B 89 9.606 94.261 -15.963 1.00 61.53 C ATOM 2003 CD GLN B 89 11.094 94.046 -16.168 1.00 76.16 C ATOM 2004 OE1 GLN B 89 11.569 93.946 -17.313 1.00 75.68 O ATOM 2005 NE2 GLN B 89 11.855 94.019 -15.061 1.00 79.61 N ATOM 0 H GLN B 89 7.685 97.211 -17.356 1.00 39.90 H new ATOM 0 HA GLN B 89 7.386 95.436 -15.474 1.00 44.12 H new ATOM 0 HB2 GLN B 89 9.125 95.680 -17.348 1.00 50.99 H new ATOM 0 HB3 GLN B 89 9.970 96.258 -16.171 1.00 50.99 H new ATOM 0 HG2 GLN B 89 9.375 94.123 -15.031 1.00 61.53 H new ATOM 0 HG3 GLN B 89 9.102 93.613 -16.480 1.00 61.53 H new ATOM 0 HE21 GLN B 89 11.489 94.091 -14.286 1.00 79.61 H new ATOM 0 HE22 GLN B 89 12.708 93.930 -15.127 1.00 79.61 H new ATOM 2006 N HIS B 90 8.599 98.176 -14.516 1.00 39.21 N ATOM 2007 CA HIS B 90 8.793 98.973 -13.314 1.00 37.15 C ATOM 2008 C HIS B 90 7.571 98.952 -12.446 1.00 34.67 C ATOM 2009 O HIS B 90 7.688 98.766 -11.215 1.00 32.61 O ATOM 2010 CB HIS B 90 9.064 100.432 -13.659 1.00 38.96 C ATOM 2011 CG HIS B 90 10.473 100.694 -14.078 1.00 41.05 C ATOM 2012 ND1 HIS B 90 11.008 101.961 -14.154 1.00 39.86 N ATOM 2013 CD2 HIS B 90 11.475 99.839 -14.381 1.00 39.67 C ATOM 2014 CE1 HIS B 90 12.275 101.875 -14.496 1.00 38.82 C ATOM 2015 NE2 HIS B 90 12.582 100.598 -14.639 1.00 37.39 N ATOM 0 H HIS B 90 8.654 98.613 -15.255 1.00 39.21 H new ATOM 0 HA HIS B 90 9.550 98.584 -12.849 1.00 37.15 H new ATOM 0 HB2 HIS B 90 8.466 100.704 -14.373 1.00 38.96 H new ATOM 0 HB3 HIS B 90 8.856 100.983 -12.888 1.00 38.96 H new ATOM 0 HD2 HIS B 90 11.421 98.911 -14.409 1.00 39.67 H new ATOM 0 HE1 HIS B 90 12.856 102.591 -14.617 1.00 38.82 H new ATOM 0 HE2 HIS B 90 13.355 100.293 -14.859 1.00 37.39 H new ATOM 2016 N VAL B 91 6.408 99.159 -13.072 1.00 30.40 N ATOM 2017 CA VAL B 91 5.220 99.328 -12.288 1.00 33.69 C ATOM 2018 C VAL B 91 4.824 97.987 -11.703 1.00 34.34 C ATOM 2019 O VAL B 91 4.315 97.928 -10.581 1.00 38.19 O ATOM 2020 CB VAL B 91 4.026 100.041 -12.989 1.00 36.08 C ATOM 2021 CG1 VAL B 91 4.489 100.988 -14.084 1.00 36.98 C ATOM 2022 CG2 VAL B 91 2.994 99.078 -13.507 1.00 38.36 C ATOM 0 H VAL B 91 6.302 99.202 -13.924 1.00 30.40 H new ATOM 0 HA VAL B 91 5.449 99.955 -11.584 1.00 33.69 H new ATOM 0 HB VAL B 91 3.595 100.573 -12.301 1.00 36.08 H new ATOM 0 HG11 VAL B 91 3.718 101.410 -14.494 1.00 36.98 H new ATOM 0 HG12 VAL B 91 5.065 101.669 -13.701 1.00 36.98 H new ATOM 0 HG13 VAL B 91 4.980 100.490 -14.756 1.00 36.98 H new ATOM 0 HG21 VAL B 91 2.275 99.571 -13.932 1.00 38.36 H new ATOM 0 HG22 VAL B 91 3.403 98.482 -14.153 1.00 38.36 H new ATOM 0 HG23 VAL B 91 2.637 98.559 -12.770 1.00 38.36 H new ATOM 2023 N ASP B 92 5.117 96.917 -12.421 1.00 33.30 N ATOM 2024 CA ASP B 92 4.800 95.635 -11.924 1.00 31.95 C ATOM 2025 C ASP B 92 5.715 95.222 -10.797 1.00 31.99 C ATOM 2026 O ASP B 92 5.268 94.663 -9.792 1.00 28.08 O ATOM 2027 CB ASP B 92 4.835 94.588 -12.999 1.00 32.73 C ATOM 2028 CG ASP B 92 4.021 93.391 -12.592 1.00 36.24 C ATOM 2029 OD1 ASP B 92 2.775 93.609 -12.430 1.00 38.52 O ATOM 2030 OD2 ASP B 92 4.623 92.295 -12.347 1.00 31.64 O ATOM 0 H ASP B 92 5.497 96.930 -13.192 1.00 33.30 H new ATOM 0 HA ASP B 92 3.894 95.701 -11.583 1.00 31.95 H new ATOM 0 HB2 ASP B 92 4.489 94.955 -13.827 1.00 32.73 H new ATOM 0 HB3 ASP B 92 5.752 94.320 -13.168 1.00 32.73 H new ATOM 2031 N GLN B 93 7.002 95.484 -10.963 1.00 35.77 N ATOM 2032 CA GLN B 93 7.977 95.158 -9.924 1.00 40.47 C ATOM 2033 C GLN B 93 7.587 95.898 -8.629 1.00 39.66 C ATOM 2034 O GLN B 93 7.693 95.340 -7.554 1.00 40.72 O ATOM 2035 CB GLN B 93 9.396 95.562 -10.371 1.00 47.38 C ATOM 2036 CG GLN B 93 10.266 94.482 -11.004 1.00 55.51 C ATOM 2037 CD GLN B 93 10.770 93.473 -9.963 1.00 70.54 C ATOM 2038 OE1 GLN B 93 11.766 93.703 -9.236 1.00 77.31 O ATOM 2039 NE2 GLN B 93 10.072 92.348 -9.874 1.00 68.88 N ATOM 0 H GLN B 93 7.335 95.849 -11.667 1.00 35.77 H new ATOM 0 HA GLN B 93 7.977 94.201 -9.765 1.00 40.47 H new ATOM 0 HB2 GLN B 93 9.314 96.291 -11.005 1.00 47.38 H new ATOM 0 HB3 GLN B 93 9.866 95.911 -9.597 1.00 47.38 H new ATOM 0 HG2 GLN B 93 9.758 94.016 -11.686 1.00 55.51 H new ATOM 0 HG3 GLN B 93 11.024 94.895 -11.447 1.00 55.51 H new ATOM 0 HE21 GLN B 93 9.394 92.221 -10.387 1.00 68.88 H new ATOM 0 HE22 GLN B 93 10.298 91.746 -9.303 1.00 68.88 H new ATOM 2040 N ARG B 94 7.137 97.147 -8.743 1.00 32.13 N ATOM 2041 CA ARG B 94 6.583 97.862 -7.598 1.00 30.63 C ATOM 2042 C ARG B 94 5.417 97.192 -6.925 1.00 30.42 C ATOM 2043 O ARG B 94 5.369 97.106 -5.692 1.00 26.63 O ATOM 2044 CB ARG B 94 6.001 99.227 -8.019 1.00 31.75 C ATOM 2045 CG ARG B 94 6.782 100.391 -7.437 1.00 32.14 C ATOM 2046 CD ARG B 94 5.818 101.332 -6.843 1.00 30.62 C ATOM 2047 NE ARG B 94 5.885 102.686 -7.360 1.00 33.40 N ATOM 2048 CZ ARG B 94 6.901 103.550 -7.257 1.00 31.95 C ATOM 2049 NH1 ARG B 94 8.123 103.273 -6.815 1.00 29.46 N ATOM 2050 NH2 ARG B 94 6.664 104.754 -7.694 1.00 34.82 N ATOM 0 H ARG B 94 7.144 97.597 -9.476 1.00 32.13 H new ATOM 0 HA ARG B 94 7.343 97.912 -6.998 1.00 30.63 H new ATOM 0 HB2 ARG B 94 6.001 99.292 -8.987 1.00 31.75 H new ATOM 0 HB3 ARG B 94 5.076 99.285 -7.731 1.00 31.75 H new ATOM 0 HG2 ARG B 94 7.408 100.078 -6.766 1.00 32.14 H new ATOM 0 HG3 ARG B 94 7.303 100.830 -8.128 1.00 32.14 H new ATOM 0 HD2 ARG B 94 4.922 100.989 -6.986 1.00 30.62 H new ATOM 0 HD3 ARG B 94 5.962 101.359 -5.884 1.00 30.62 H new ATOM 0 HE ARG B 94 5.190 102.966 -7.782 1.00 33.40 H new ATOM 0 HH11 ARG B 94 8.318 102.474 -6.562 1.00 29.46 H new ATOM 0 HH12 ARG B 94 8.719 103.892 -6.782 1.00 29.46 H new ATOM 0 HH21 ARG B 94 5.893 104.948 -8.022 1.00 34.82 H new ATOM 0 HH22 ARG B 94 7.278 105.354 -7.655 1.00 34.82 H new ATOM 2051 N ARG B 95 4.416 96.829 -7.730 1.00 31.09 N ATOM 2052 CA ARG B 95 3.198 96.376 -7.130 1.00 33.00 C ATOM 2053 C ARG B 95 3.509 95.093 -6.406 1.00 33.76 C ATOM 2054 O ARG B 95 3.080 94.916 -5.289 1.00 32.14 O ATOM 2055 CB ARG B 95 2.007 96.312 -8.068 1.00 34.11 C ATOM 2056 CG ARG B 95 2.075 95.332 -9.193 1.00 40.72 C ATOM 2057 CD ARG B 95 0.714 94.701 -9.406 1.00 40.35 C ATOM 2058 NE ARG B 95 0.673 93.566 -8.511 1.00 43.90 N ATOM 2059 CZ ARG B 95 1.315 92.424 -8.735 1.00 43.59 C ATOM 2060 NH1 ARG B 95 2.014 92.274 -9.848 1.00 40.61 N ATOM 2061 NH2 ARG B 95 1.255 91.427 -7.835 1.00 47.02 N ATOM 0 H ARG B 95 4.433 96.841 -8.590 1.00 31.09 H new ATOM 0 HA ARG B 95 2.886 97.038 -6.493 1.00 33.00 H new ATOM 0 HB2 ARG B 95 1.219 96.109 -7.540 1.00 34.11 H new ATOM 0 HB3 ARG B 95 1.875 97.195 -8.447 1.00 34.11 H new ATOM 0 HG2 ARG B 95 2.365 95.778 -10.004 1.00 40.72 H new ATOM 0 HG3 ARG B 95 2.732 94.646 -8.996 1.00 40.72 H new ATOM 0 HD2 ARG B 95 0.002 95.329 -9.207 1.00 40.35 H new ATOM 0 HD3 ARG B 95 0.598 94.424 -10.328 1.00 40.35 H new ATOM 0 HE ARG B 95 0.206 93.634 -7.792 1.00 43.90 H new ATOM 0 HH11 ARG B 95 2.051 92.913 -10.422 1.00 40.61 H new ATOM 0 HH12 ARG B 95 2.431 91.537 -9.998 1.00 40.61 H new ATOM 0 HH21 ARG B 95 0.800 91.527 -7.112 1.00 47.02 H new ATOM 0 HH22 ARG B 95 1.671 90.689 -7.982 1.00 47.02 H new ATOM 2062 N GLN B 96 4.353 94.262 -6.990 1.00 34.64 N ATOM 2063 CA GLN B 96 4.753 93.074 -6.320 1.00 36.70 C ATOM 2064 C GLN B 96 5.317 93.420 -4.959 1.00 32.04 C ATOM 2065 O GLN B 96 4.909 92.896 -3.951 1.00 33.11 O ATOM 2066 CB GLN B 96 5.766 92.308 -7.165 1.00 46.04 C ATOM 2067 CG GLN B 96 6.097 90.925 -6.625 1.00 57.80 C ATOM 2068 CD GLN B 96 4.849 90.068 -6.542 1.00 68.73 C ATOM 2069 OE1 GLN B 96 4.374 89.579 -7.567 1.00 91.01 O ATOM 2070 NE2 GLN B 96 4.285 89.909 -5.330 1.00 66.56 N ATOM 0 H GLN B 96 4.697 94.378 -7.770 1.00 34.64 H new ATOM 0 HA GLN B 96 3.982 92.500 -6.191 1.00 36.70 H new ATOM 0 HB2 GLN B 96 5.421 92.219 -8.067 1.00 46.04 H new ATOM 0 HB3 GLN B 96 6.583 92.827 -7.224 1.00 46.04 H new ATOM 0 HG2 GLN B 96 6.751 90.497 -7.199 1.00 57.80 H new ATOM 0 HG3 GLN B 96 6.500 91.004 -5.746 1.00 57.80 H new ATOM 0 HE21 GLN B 96 4.647 90.267 -4.637 1.00 66.56 H new ATOM 0 HE22 GLN B 96 3.562 89.450 -5.249 1.00 66.56 H new ATOM 2071 N GLY B 97 6.249 94.334 -4.918 1.00 33.42 N ATOM 2072 CA GLY B 97 6.903 94.724 -3.657 1.00 33.45 C ATOM 2073 C GLY B 97 5.951 95.251 -2.607 1.00 32.98 C ATOM 2074 O GLY B 97 6.050 94.928 -1.441 1.00 34.51 O ATOM 0 H GLY B 97 6.534 94.758 -5.610 1.00 33.42 H new ATOM 0 HA2 GLY B 97 7.374 93.956 -3.297 1.00 33.45 H new ATOM 0 HA3 GLY B 97 7.570 95.403 -3.846 1.00 33.45 H new ATOM 2075 N LEU B 98 4.995 96.036 -3.045 1.00 32.33 N ATOM 2076 CA LEU B 98 3.981 96.530 -2.168 1.00 31.02 C ATOM 2077 C LEU B 98 3.064 95.394 -1.630 1.00 32.13 C ATOM 2078 O LEU B 98 2.545 95.488 -0.519 1.00 34.75 O ATOM 2079 CB LEU B 98 3.177 97.609 -2.912 1.00 30.82 C ATOM 2080 CG LEU B 98 3.891 98.898 -3.346 1.00 29.60 C ATOM 2081 CD1 LEU B 98 2.888 99.767 -4.066 1.00 30.71 C ATOM 2082 CD2 LEU B 98 4.377 99.700 -2.182 1.00 29.62 C ATOM 0 H LEU B 98 4.919 96.295 -3.861 1.00 32.33 H new ATOM 0 HA LEU B 98 4.400 96.920 -1.385 1.00 31.02 H new ATOM 0 HB2 LEU B 98 2.802 97.199 -3.707 1.00 30.82 H new ATOM 0 HB3 LEU B 98 2.432 97.863 -2.345 1.00 30.82 H new ATOM 0 HG LEU B 98 4.648 98.641 -3.896 1.00 29.60 H new ATOM 0 HD11 LEU B 98 3.317 100.589 -4.350 1.00 30.71 H new ATOM 0 HD12 LEU B 98 2.549 99.295 -4.842 1.00 30.71 H new ATOM 0 HD13 LEU B 98 2.153 99.976 -3.469 1.00 30.71 H new ATOM 0 HD21 LEU B 98 4.819 100.501 -2.503 1.00 29.62 H new ATOM 0 HD22 LEU B 98 3.624 99.949 -1.623 1.00 29.62 H new ATOM 0 HD23 LEU B 98 5.003 99.171 -1.663 1.00 29.62 H new ATOM 2083 N GLU B 99 2.822 94.356 -2.426 1.00 31.63 N ATOM 2084 CA GLU B 99 2.086 93.183 -1.964 1.00 32.18 C ATOM 2085 C GLU B 99 2.895 92.482 -0.885 1.00 30.02 C ATOM 2086 O GLU B 99 2.406 92.218 0.195 1.00 25.75 O ATOM 2087 CB GLU B 99 1.793 92.202 -3.107 1.00 32.53 C ATOM 2088 CG GLU B 99 0.401 91.586 -3.020 1.00 35.46 C ATOM 2089 CD GLU B 99 0.027 90.780 -4.251 1.00 37.96 C ATOM 2090 OE1 GLU B 99 -0.810 91.206 -5.087 1.00 37.32 O ATOM 2091 OE2 GLU B 99 0.614 89.698 -4.405 1.00 46.48 O ATOM 0 H GLU B 99 3.079 94.312 -3.246 1.00 31.63 H new ATOM 0 HA GLU B 99 1.234 93.482 -1.610 1.00 32.18 H new ATOM 0 HB2 GLU B 99 1.884 92.664 -3.955 1.00 32.53 H new ATOM 0 HB3 GLU B 99 2.456 91.494 -3.097 1.00 32.53 H new ATOM 0 HG2 GLU B 99 0.355 91.013 -2.239 1.00 35.46 H new ATOM 0 HG3 GLU B 99 -0.252 92.292 -2.892 1.00 35.46 H new ATOM 2092 N ASP B 100 4.155 92.236 -1.185 1.00 34.00 N ATOM 2093 CA ASP B 100 5.040 91.521 -0.255 1.00 37.39 C ATOM 2094 C ASP B 100 5.147 92.289 1.052 1.00 33.61 C ATOM 2095 O ASP B 100 5.032 91.705 2.109 1.00 32.34 O ATOM 2096 CB ASP B 100 6.371 91.136 -0.944 1.00 40.58 C ATOM 2097 CG ASP B 100 6.122 90.196 -2.212 1.00 54.36 C ATOM 2098 OD1 ASP B 100 5.026 89.597 -2.298 1.00 65.58 O ATOM 2099 OD2 ASP B 100 6.964 90.038 -3.137 1.00 61.51 O ATOM 0 H ASP B 100 4.529 92.471 -1.923 1.00 34.00 H new ATOM 0 HA ASP B 100 4.661 90.664 -0.003 1.00 37.39 H new ATOM 0 HB2 ASP B 100 6.837 91.940 -1.222 1.00 40.58 H new ATOM 0 HB3 ASP B 100 6.945 90.680 -0.309 1.00 40.58 H new ATOM 2100 N PHE B 101 5.223 93.612 0.965 1.00 30.56 N ATOM 2101 CA PHE B 101 5.227 94.461 2.138 1.00 27.56 C ATOM 2102 C PHE B 101 3.974 94.227 2.971 1.00 27.37 C ATOM 2103 O PHE B 101 4.067 93.994 4.170 1.00 25.93 O ATOM 2104 CB PHE B 101 5.291 95.921 1.730 1.00 26.10 C ATOM 2105 CG PHE B 101 5.213 96.871 2.881 1.00 26.79 C ATOM 2106 CD1 PHE B 101 6.315 97.179 3.621 1.00 29.87 C ATOM 2107 CD2 PHE B 101 4.033 97.468 3.219 1.00 26.98 C ATOM 2108 CE1 PHE B 101 6.230 98.072 4.697 1.00 30.03 C ATOM 2109 CE2 PHE B 101 3.946 98.341 4.280 1.00 26.24 C ATOM 2110 CZ PHE B 101 5.039 98.634 5.032 1.00 26.76 C ATOM 0 H PHE B 101 5.274 94.039 0.220 1.00 30.56 H new ATOM 0 HA PHE B 101 6.008 94.239 2.668 1.00 27.56 H new ATOM 0 HB2 PHE B 101 6.118 96.078 1.247 1.00 26.10 H new ATOM 0 HB3 PHE B 101 4.564 96.109 1.116 1.00 26.10 H new ATOM 0 HD1 PHE B 101 7.134 96.792 3.409 1.00 29.87 H new ATOM 0 HD2 PHE B 101 3.270 97.281 2.721 1.00 26.98 H new ATOM 0 HE1 PHE B 101 6.993 98.282 5.185 1.00 30.03 H new ATOM 0 HE2 PHE B 101 3.129 98.735 4.485 1.00 26.24 H new ATOM 0 HZ PHE B 101 4.973 99.208 5.761 1.00 26.76 H new ATOM 2111 N LEU B 102 2.807 94.286 2.358 1.00 25.59 N ATOM 2112 CA LEU B 102 1.612 94.181 3.169 1.00 27.72 C ATOM 2113 C LEU B 102 1.415 92.777 3.721 1.00 30.63 C ATOM 2114 O LEU B 102 0.998 92.572 4.869 1.00 29.95 O ATOM 2115 CB LEU B 102 0.382 94.606 2.404 1.00 26.61 C ATOM 2116 CG LEU B 102 0.397 96.077 2.044 1.00 26.68 C ATOM 2117 CD1 LEU B 102 -0.743 96.327 1.081 1.00 26.74 C ATOM 2118 CD2 LEU B 102 0.237 96.970 3.248 1.00 26.73 C ATOM 0 H LEU B 102 2.685 94.382 1.512 1.00 25.59 H new ATOM 0 HA LEU B 102 1.738 94.785 3.917 1.00 27.72 H new ATOM 0 HB2 LEU B 102 0.312 94.079 1.593 1.00 26.61 H new ATOM 0 HB3 LEU B 102 -0.407 94.415 2.935 1.00 26.61 H new ATOM 0 HG LEU B 102 1.257 96.288 1.648 1.00 26.68 H new ATOM 0 HD11 LEU B 102 -0.757 97.265 0.833 1.00 26.74 H new ATOM 0 HD12 LEU B 102 -0.621 95.784 0.286 1.00 26.74 H new ATOM 0 HD13 LEU B 102 -1.583 96.093 1.506 1.00 26.74 H new ATOM 0 HD21 LEU B 102 0.253 97.898 2.967 1.00 26.73 H new ATOM 0 HD22 LEU B 102 -0.609 96.779 3.683 1.00 26.73 H new ATOM 0 HD23 LEU B 102 0.964 96.808 3.870 1.00 26.73 H new ATOM 2119 N ARG B 103 1.705 91.798 2.894 1.00 32.95 N ATOM 2120 CA ARG B 103 1.621 90.425 3.339 1.00 33.67 C ATOM 2121 C ARG B 103 2.444 90.179 4.597 1.00 30.14 C ATOM 2122 O ARG B 103 1.952 89.609 5.536 1.00 30.25 O ATOM 2123 CB ARG B 103 2.103 89.534 2.258 1.00 35.76 C ATOM 2124 CG ARG B 103 1.401 88.237 2.161 1.00 40.30 C ATOM 2125 CD ARG B 103 1.423 87.891 0.697 1.00 50.53 C ATOM 2126 NE ARG B 103 0.198 88.264 -0.010 1.00 56.17 N ATOM 2127 CZ ARG B 103 0.002 88.046 -1.307 1.00 57.40 C ATOM 2128 NH1 ARG B 103 0.960 87.536 -2.063 1.00 61.24 N ATOM 2129 NH2 ARG B 103 -1.143 88.366 -1.858 1.00 62.42 N ATOM 0 H ARG B 103 1.951 91.903 2.077 1.00 32.95 H new ATOM 0 HA ARG B 103 0.693 90.237 3.552 1.00 33.67 H new ATOM 0 HB2 ARG B 103 2.016 89.998 1.411 1.00 35.76 H new ATOM 0 HB3 ARG B 103 3.049 89.366 2.393 1.00 35.76 H new ATOM 0 HG2 ARG B 103 1.846 87.556 2.690 1.00 40.30 H new ATOM 0 HG3 ARG B 103 0.492 88.304 2.492 1.00 40.30 H new ATOM 0 HD2 ARG B 103 2.177 88.335 0.279 1.00 50.53 H new ATOM 0 HD3 ARG B 103 1.566 86.937 0.600 1.00 50.53 H new ATOM 0 HE ARG B 103 -0.430 88.645 0.438 1.00 56.17 H new ATOM 0 HH11 ARG B 103 1.723 87.340 -1.717 1.00 61.24 H new ATOM 0 HH12 ARG B 103 0.820 87.400 -2.901 1.00 61.24 H new ATOM 0 HH21 ARG B 103 -1.767 88.717 -1.381 1.00 62.42 H new ATOM 0 HH22 ARG B 103 -1.271 88.225 -2.697 1.00 62.42 H new ATOM 2130 N LYS B 104 3.670 90.647 4.618 1.00 30.18 N ATOM 2131 CA LYS B 104 4.503 90.533 5.800 1.00 33.49 C ATOM 2132 C LYS B 104 3.898 91.340 6.945 1.00 32.10 C ATOM 2133 O LYS B 104 3.765 90.851 8.066 1.00 29.48 O ATOM 2134 CB LYS B 104 5.939 91.006 5.490 1.00 36.86 C ATOM 2135 CG LYS B 104 6.742 89.979 4.682 1.00 44.85 C ATOM 2136 CD LYS B 104 7.425 90.504 3.413 1.00 53.40 C ATOM 2137 CE LYS B 104 8.820 89.897 3.129 1.00 59.76 C ATOM 2138 NZ LYS B 104 9.932 90.772 3.634 1.00 65.71 N ATOM 0 H LYS B 104 4.047 91.040 3.952 1.00 30.18 H new ATOM 0 HA LYS B 104 4.544 89.602 6.070 1.00 33.49 H new ATOM 0 HB2 LYS B 104 5.901 91.841 4.997 1.00 36.86 H new ATOM 0 HB3 LYS B 104 6.402 91.189 6.323 1.00 36.86 H new ATOM 0 HG2 LYS B 104 7.422 89.600 5.260 1.00 44.85 H new ATOM 0 HG3 LYS B 104 6.147 89.255 4.431 1.00 44.85 H new ATOM 0 HD2 LYS B 104 6.848 90.327 2.653 1.00 53.40 H new ATOM 0 HD3 LYS B 104 7.514 91.467 3.483 1.00 53.40 H new ATOM 0 HE2 LYS B 104 8.882 89.024 3.547 1.00 59.76 H new ATOM 0 HE3 LYS B 104 8.924 89.763 2.174 1.00 59.76 H new ATOM 0 HZ1 LYS B 104 10.716 90.391 3.453 1.00 65.71 H new ATOM 0 HZ2 LYS B 104 9.890 91.566 3.235 1.00 65.71 H new ATOM 0 HZ3 LYS B 104 9.850 90.878 4.514 1.00 65.71 H new ATOM 2139 N VAL B 105 3.503 92.569 6.658 1.00 30.12 N ATOM 2140 CA VAL B 105 2.982 93.421 7.698 1.00 27.55 C ATOM 2141 C VAL B 105 1.830 92.727 8.380 1.00 29.25 C ATOM 2142 O VAL B 105 1.748 92.756 9.604 1.00 28.87 O ATOM 2143 CB VAL B 105 2.500 94.741 7.148 1.00 25.85 C ATOM 2144 CG1 VAL B 105 1.630 95.457 8.125 1.00 26.92 C ATOM 2145 CG2 VAL B 105 3.671 95.629 6.838 1.00 28.30 C ATOM 0 H VAL B 105 3.529 92.922 5.874 1.00 30.12 H new ATOM 0 HA VAL B 105 3.699 93.596 8.327 1.00 27.55 H new ATOM 0 HB VAL B 105 1.991 94.547 6.345 1.00 25.85 H new ATOM 0 HG11 VAL B 105 1.338 96.299 7.742 1.00 26.92 H new ATOM 0 HG12 VAL B 105 0.856 94.910 8.331 1.00 26.92 H new ATOM 0 HG13 VAL B 105 2.130 95.628 8.939 1.00 26.92 H new ATOM 0 HG21 VAL B 105 3.352 96.474 6.485 1.00 28.30 H new ATOM 0 HG22 VAL B 105 4.180 95.789 7.648 1.00 28.30 H new ATOM 0 HG23 VAL B 105 4.239 95.198 6.180 1.00 28.30 H new ATOM 2146 N LEU B 106 0.949 92.111 7.603 1.00 28.68 N ATOM 2147 CA LEU B 106 -0.286 91.581 8.168 1.00 29.64 C ATOM 2148 C LEU B 106 -0.056 90.329 8.988 1.00 33.33 C ATOM 2149 O LEU B 106 -0.872 89.988 9.805 1.00 36.70 O ATOM 2150 CB LEU B 106 -1.292 91.261 7.077 1.00 28.44 C ATOM 2151 CG LEU B 106 -1.827 92.504 6.408 1.00 30.46 C ATOM 2152 CD1 LEU B 106 -2.699 92.138 5.215 1.00 30.80 C ATOM 2153 CD2 LEU B 106 -2.624 93.338 7.375 1.00 32.80 C ATOM 0 H LEU B 106 1.044 91.990 6.757 1.00 28.68 H new ATOM 0 HA LEU B 106 -0.633 92.276 8.750 1.00 29.64 H new ATOM 0 HB2 LEU B 106 -0.874 90.692 6.411 1.00 28.44 H new ATOM 0 HB3 LEU B 106 -2.029 90.758 7.457 1.00 28.44 H new ATOM 0 HG LEU B 106 -1.067 93.022 6.101 1.00 30.46 H new ATOM 0 HD11 LEU B 106 -3.034 92.947 4.798 1.00 30.80 H new ATOM 0 HD12 LEU B 106 -2.174 91.637 4.572 1.00 30.80 H new ATOM 0 HD13 LEU B 106 -3.446 91.596 5.514 1.00 30.80 H new ATOM 0 HD21 LEU B 106 -2.956 94.129 6.923 1.00 32.80 H new ATOM 0 HD22 LEU B 106 -3.372 92.819 7.710 1.00 32.80 H new ATOM 0 HD23 LEU B 106 -2.058 93.604 8.116 1.00 32.80 H new ATOM 2154 N GLN B 107 1.044 89.627 8.756 1.00 37.61 N ATOM 2155 CA GLN B 107 1.387 88.486 9.566 1.00 37.65 C ATOM 2156 C GLN B 107 1.765 88.881 10.997 1.00 38.40 C ATOM 2157 O GLN B 107 2.107 88.007 11.771 1.00 40.12 O ATOM 2158 CB GLN B 107 2.585 87.756 8.984 1.00 40.64 C ATOM 2159 CG GLN B 107 2.322 86.892 7.780 1.00 46.85 C ATOM 2160 CD GLN B 107 3.627 86.249 7.261 1.00 56.44 C ATOM 2161 OE1 GLN B 107 4.475 85.810 8.050 1.00 63.46 O ATOM 2162 NE2 GLN B 107 3.795 86.199 5.938 1.00 60.04 N ATOM 0 H GLN B 107 1.605 89.802 8.128 1.00 37.61 H new ATOM 0 HA GLN B 107 0.598 87.923 9.577 1.00 37.65 H new ATOM 0 HB2 GLN B 107 3.256 88.415 8.745 1.00 40.64 H new ATOM 0 HB3 GLN B 107 2.969 87.200 9.679 1.00 40.64 H new ATOM 0 HG2 GLN B 107 1.685 86.198 8.010 1.00 46.85 H new ATOM 0 HG3 GLN B 107 1.919 87.426 7.077 1.00 46.85 H new ATOM 0 HE21 GLN B 107 3.188 86.512 5.415 1.00 60.04 H new ATOM 0 HE22 GLN B 107 4.510 85.854 5.608 1.00 60.04 H new ATOM 2163 N ASN B 108 1.754 90.163 11.351 1.00 37.09 N ATOM 2164 CA ASN B 108 2.282 90.600 12.640 1.00 38.03 C ATOM 2165 C ASN B 108 1.226 91.268 13.505 1.00 38.70 C ATOM 2166 O ASN B 108 0.737 92.363 13.213 1.00 40.56 O ATOM 2167 CB ASN B 108 3.421 91.548 12.399 1.00 39.44 C ATOM 2168 CG ASN B 108 3.994 92.111 13.668 1.00 42.96 C ATOM 2169 OD1 ASN B 108 3.276 92.501 14.602 1.00 51.86 O ATOM 2170 ND2 ASN B 108 5.302 92.220 13.692 1.00 41.77 N ATOM 0 H ASN B 108 1.445 90.796 10.858 1.00 37.09 H new ATOM 0 HA ASN B 108 2.585 89.815 13.123 1.00 38.03 H new ATOM 0 HB2 ASN B 108 4.121 91.087 11.910 1.00 39.44 H new ATOM 0 HB3 ASN B 108 3.115 92.277 11.837 1.00 39.44 H new ATOM 0 HD21 ASN B 108 5.692 92.572 14.373 1.00 41.77 H new ATOM 0 HD22 ASN B 108 5.769 91.939 13.027 1.00 41.77 H new ATOM 2171 N ALA B 109 0.890 90.621 14.605 1.00 38.69 N ATOM 2172 CA ALA B 109 -0.234 91.073 15.418 1.00 35.63 C ATOM 2173 C ALA B 109 -0.039 92.439 16.100 1.00 34.95 C ATOM 2174 O ALA B 109 -1.025 93.149 16.309 1.00 36.40 O ATOM 2175 CB ALA B 109 -0.533 90.044 16.452 1.00 36.12 C ATOM 0 H ALA B 109 1.294 89.922 14.901 1.00 38.69 H new ATOM 0 HA ALA B 109 -0.973 91.193 14.802 1.00 35.63 H new ATOM 0 HB1 ALA B 109 -1.280 90.339 16.996 1.00 36.12 H new ATOM 0 HB2 ALA B 109 -0.760 89.206 16.019 1.00 36.12 H new ATOM 0 HB3 ALA B 109 0.246 89.915 17.016 1.00 36.12 H new ATOM 2176 N LEU B 110 1.189 92.830 16.415 1.00 32.11 N ATOM 2177 CA LEU B 110 1.379 94.146 16.964 1.00 35.84 C ATOM 2178 C LEU B 110 0.977 95.185 15.901 1.00 37.41 C ATOM 2179 O LEU B 110 0.209 96.113 16.171 1.00 38.54 O ATOM 2180 CB LEU B 110 2.806 94.360 17.445 1.00 42.89 C ATOM 2181 CG LEU B 110 3.310 93.351 18.526 1.00 55.03 C ATOM 2182 CD1 LEU B 110 4.799 92.948 18.442 1.00 56.80 C ATOM 2183 CD2 LEU B 110 3.003 93.850 19.936 1.00 55.12 C ATOM 0 H LEU B 110 1.902 92.358 16.320 1.00 32.11 H new ATOM 0 HA LEU B 110 0.815 94.249 17.746 1.00 35.84 H new ATOM 0 HB2 LEU B 110 3.399 94.313 16.679 1.00 42.89 H new ATOM 0 HB3 LEU B 110 2.878 95.258 17.805 1.00 42.89 H new ATOM 0 HG LEU B 110 2.811 92.544 18.325 1.00 55.03 H new ATOM 0 HD11 LEU B 110 5.006 92.323 19.154 1.00 56.80 H new ATOM 0 HD12 LEU B 110 4.973 92.530 17.584 1.00 56.80 H new ATOM 0 HD13 LEU B 110 5.354 93.738 18.535 1.00 56.80 H new ATOM 0 HD21 LEU B 110 3.326 93.206 20.585 1.00 55.12 H new ATOM 0 HD22 LEU B 110 3.443 94.702 20.081 1.00 55.12 H new ATOM 0 HD23 LEU B 110 2.045 93.960 20.039 1.00 55.12 H new ATOM 2184 N LEU B 111 1.424 95.006 14.666 1.00 35.95 N ATOM 2185 CA LEU B 111 1.045 95.953 13.617 1.00 32.27 C ATOM 2186 C LEU B 111 -0.435 95.921 13.351 1.00 32.76 C ATOM 2187 O LEU B 111 -1.061 96.980 13.187 1.00 33.98 O ATOM 2188 CB LEU B 111 1.789 95.665 12.344 1.00 31.78 C ATOM 2189 CG LEU B 111 3.299 95.694 12.478 1.00 33.22 C ATOM 2190 CD1 LEU B 111 3.906 95.460 11.123 1.00 32.15 C ATOM 2191 CD2 LEU B 111 3.750 97.040 13.041 1.00 35.02 C ATOM 0 H LEU B 111 1.935 94.362 14.414 1.00 35.95 H new ATOM 0 HA LEU B 111 1.282 96.839 13.933 1.00 32.27 H new ATOM 0 HB2 LEU B 111 1.521 94.792 12.017 1.00 31.78 H new ATOM 0 HB3 LEU B 111 1.523 96.313 11.673 1.00 31.78 H new ATOM 0 HG LEU B 111 3.591 94.999 13.089 1.00 33.22 H new ATOM 0 HD11 LEU B 111 4.873 95.476 11.194 1.00 32.15 H new ATOM 0 HD12 LEU B 111 3.621 94.596 10.785 1.00 32.15 H new ATOM 0 HD13 LEU B 111 3.616 96.156 10.513 1.00 32.15 H new ATOM 0 HD21 LEU B 111 4.716 97.049 13.123 1.00 35.02 H new ATOM 0 HD22 LEU B 111 3.470 97.751 12.444 1.00 35.02 H new ATOM 0 HD23 LEU B 111 3.350 97.176 13.914 1.00 35.02 H new ATOM 2192 N LEU B 112 -1.018 94.726 13.336 1.00 34.44 N ATOM 2193 CA LEU B 112 -2.480 94.584 13.125 1.00 36.68 C ATOM 2194 C LEU B 112 -3.367 95.359 14.082 1.00 35.26 C ATOM 2195 O LEU B 112 -4.500 95.626 13.761 1.00 36.08 O ATOM 2196 CB LEU B 112 -2.905 93.138 13.181 1.00 36.66 C ATOM 2197 CG LEU B 112 -2.649 92.380 11.883 1.00 39.34 C ATOM 2198 CD1 LEU B 112 -2.889 90.897 12.118 1.00 44.73 C ATOM 2199 CD2 LEU B 112 -3.559 92.878 10.784 1.00 37.67 C ATOM 0 H LEU B 112 -0.598 93.983 13.444 1.00 34.44 H new ATOM 0 HA LEU B 112 -2.609 94.968 12.244 1.00 36.68 H new ATOM 0 HB2 LEU B 112 -2.432 92.697 13.904 1.00 36.66 H new ATOM 0 HB3 LEU B 112 -3.851 93.094 13.392 1.00 36.66 H new ATOM 0 HG LEU B 112 -1.731 92.527 11.607 1.00 39.34 H new ATOM 0 HD11 LEU B 112 -2.728 90.409 11.296 1.00 44.73 H new ATOM 0 HD12 LEU B 112 -2.286 90.577 12.807 1.00 44.73 H new ATOM 0 HD13 LEU B 112 -3.806 90.758 12.401 1.00 44.73 H new ATOM 0 HD21 LEU B 112 -3.381 92.385 9.968 1.00 37.67 H new ATOM 0 HD22 LEU B 112 -4.484 92.747 11.045 1.00 37.67 H new ATOM 0 HD23 LEU B 112 -3.397 93.822 10.632 1.00 37.67 H new ATOM 2200 N SER B 113 -2.840 95.783 15.214 1.00 34.01 N ATOM 2201 CA SER B 113 -3.626 96.572 16.140 1.00 34.04 C ATOM 2202 C SER B 113 -3.361 98.101 16.059 1.00 34.22 C ATOM 2203 O SER B 113 -3.645 98.850 17.003 1.00 35.14 O ATOM 2204 CB SER B 113 -3.308 96.048 17.513 1.00 37.23 C ATOM 2205 OG SER B 113 -1.918 96.168 17.735 1.00 36.74 O ATOM 0 H SER B 113 -2.033 95.626 15.465 1.00 34.01 H new ATOM 0 HA SER B 113 -4.565 96.480 15.915 1.00 34.04 H new ATOM 0 HB2 SER B 113 -3.800 96.546 18.185 1.00 37.23 H new ATOM 0 HB3 SER B 113 -3.582 95.121 17.590 1.00 37.23 H new ATOM 0 HG SER B 113 -1.545 96.442 17.034 1.00 36.74 H new ATOM 2206 N ASP B 114 -2.789 98.558 14.946 1.00 31.83 N ATOM 2207 CA ASP B 114 -2.577 99.978 14.700 1.00 30.01 C ATOM 2208 C ASP B 114 -3.723 100.474 13.831 1.00 27.29 C ATOM 2209 O ASP B 114 -3.907 100.032 12.691 1.00 26.75 O ATOM 2210 CB ASP B 114 -1.219 100.158 13.997 1.00 33.30 C ATOM 2211 CG ASP B 114 -0.666 101.619 14.040 1.00 39.57 C ATOM 2212 OD1 ASP B 114 -1.421 102.622 13.887 1.00 42.90 O ATOM 2213 OD2 ASP B 114 0.582 101.747 14.193 1.00 45.59 O ATOM 0 H ASP B 114 -2.513 98.048 14.311 1.00 31.83 H new ATOM 0 HA ASP B 114 -2.561 100.489 15.525 1.00 30.01 H new ATOM 0 HB2 ASP B 114 -0.571 99.565 14.409 1.00 33.30 H new ATOM 0 HB3 ASP B 114 -1.306 99.883 13.071 1.00 33.30 H new ATOM 2214 N SER B 115 -4.515 101.394 14.345 1.00 26.43 N ATOM 2215 CA SER B 115 -5.637 101.943 13.535 1.00 25.27 C ATOM 2216 C SER B 115 -5.210 102.619 12.251 1.00 24.97 C ATOM 2217 O SER B 115 -6.000 102.756 11.313 1.00 23.08 O ATOM 2218 CB SER B 115 -6.439 102.943 14.331 1.00 24.44 C ATOM 2219 OG SER B 115 -6.686 102.439 15.617 1.00 27.62 O ATOM 0 H SER B 115 -4.441 101.720 15.137 1.00 26.43 H new ATOM 0 HA SER B 115 -6.167 101.165 13.301 1.00 25.27 H new ATOM 0 HB2 SER B 115 -5.957 103.783 14.391 1.00 24.44 H new ATOM 0 HB3 SER B 115 -7.278 103.129 13.881 1.00 24.44 H new ATOM 0 HG SER B 115 -7.131 102.999 16.057 1.00 27.62 H new ATOM 2220 N SER B 116 -3.968 103.074 12.213 1.00 25.16 N ATOM 2221 CA SER B 116 -3.466 103.701 11.003 1.00 25.06 C ATOM 2222 C SER B 116 -3.546 102.696 9.867 1.00 23.02 C ATOM 2223 O SER B 116 -3.953 103.053 8.757 1.00 23.93 O ATOM 2224 CB SER B 116 -2.019 104.185 11.197 1.00 27.40 C ATOM 2225 OG SER B 116 -1.966 105.111 12.289 1.00 30.01 O ATOM 0 H SER B 116 -3.408 103.031 12.864 1.00 25.16 H new ATOM 0 HA SER B 116 -4.007 104.478 10.792 1.00 25.06 H new ATOM 0 HB2 SER B 116 -1.436 103.430 11.372 1.00 27.40 H new ATOM 0 HB3 SER B 116 -1.698 104.609 10.386 1.00 27.40 H new ATOM 0 HG SER B 116 -1.782 104.699 12.997 1.00 30.01 H new ATOM 2226 N LEU B 117 -3.123 101.455 10.136 1.00 20.30 N ATOM 2227 CA LEU B 117 -3.080 100.440 9.116 1.00 19.44 C ATOM 2228 C LEU B 117 -4.474 100.172 8.620 1.00 20.21 C ATOM 2229 O LEU B 117 -4.706 99.985 7.418 1.00 21.80 O ATOM 2230 CB LEU B 117 -2.510 99.159 9.687 1.00 19.56 C ATOM 2231 CG LEU B 117 -2.393 97.881 8.837 1.00 19.56 C ATOM 2232 CD1 LEU B 117 -1.713 98.175 7.514 1.00 19.70 C ATOM 2233 CD2 LEU B 117 -1.620 96.785 9.571 1.00 18.48 C ATOM 0 H LEU B 117 -2.858 101.194 10.911 1.00 20.30 H new ATOM 0 HA LEU B 117 -2.520 100.748 8.387 1.00 19.44 H new ATOM 0 HB2 LEU B 117 -1.619 99.366 10.009 1.00 19.56 H new ATOM 0 HB3 LEU B 117 -3.046 98.933 10.463 1.00 19.56 H new ATOM 0 HG LEU B 117 -3.295 97.565 8.673 1.00 19.56 H new ATOM 0 HD11 LEU B 117 -1.649 97.358 6.994 1.00 19.70 H new ATOM 0 HD12 LEU B 117 -2.231 98.831 7.022 1.00 19.70 H new ATOM 0 HD13 LEU B 117 -0.823 98.524 7.678 1.00 19.70 H new ATOM 0 HD21 LEU B 117 -1.565 95.996 9.009 1.00 18.48 H new ATOM 0 HD22 LEU B 117 -0.725 97.100 9.774 1.00 18.48 H new ATOM 0 HD23 LEU B 117 -2.079 96.562 10.396 1.00 18.48 H new ATOM 2234 N HIS B 118 -5.419 100.153 9.542 1.00 21.04 N ATOM 2235 CA HIS B 118 -6.785 99.798 9.201 1.00 20.77 C ATOM 2236 C HIS B 118 -7.402 100.827 8.346 1.00 20.50 C ATOM 2237 O HIS B 118 -7.927 100.490 7.307 1.00 22.72 O ATOM 2238 CB HIS B 118 -7.600 99.543 10.447 1.00 20.99 C ATOM 2239 CG HIS B 118 -7.283 98.237 11.066 1.00 21.08 C ATOM 2240 ND1 HIS B 118 -7.713 97.038 10.526 1.00 22.32 N ATOM 2241 CD2 HIS B 118 -6.494 97.923 12.102 1.00 21.55 C ATOM 2242 CE1 HIS B 118 -7.234 96.040 11.234 1.00 21.55 C ATOM 2243 NE2 HIS B 118 -6.483 96.550 12.190 1.00 22.78 N ATOM 0 H HIS B 118 -5.292 100.342 10.371 1.00 21.04 H new ATOM 0 HA HIS B 118 -6.766 98.973 8.690 1.00 20.77 H new ATOM 0 HB2 HIS B 118 -7.436 100.251 11.089 1.00 20.99 H new ATOM 0 HB3 HIS B 118 -8.544 99.573 10.226 1.00 20.99 H new ATOM 0 HD2 HIS B 118 -6.041 98.518 12.655 1.00 21.55 H new ATOM 0 HE1 HIS B 118 -7.396 95.136 11.087 1.00 21.55 H new ATOM 0 HE2 HIS B 118 -6.052 96.094 12.778 1.00 22.78 H new ATOM 2244 N LEU B 119 -7.274 102.083 8.744 1.00 21.17 N ATOM 2245 CA LEU B 119 -7.719 103.194 7.924 1.00 22.41 C ATOM 2246 C LEU B 119 -7.012 103.279 6.579 1.00 20.95 C ATOM 2247 O LEU B 119 -7.568 103.734 5.599 1.00 19.97 O ATOM 2248 CB LEU B 119 -7.496 104.497 8.690 1.00 24.26 C ATOM 2249 CG LEU B 119 -8.459 104.593 9.865 1.00 26.45 C ATOM 2250 CD1 LEU B 119 -8.057 105.680 10.828 1.00 26.18 C ATOM 2251 CD2 LEU B 119 -9.873 104.870 9.327 1.00 26.88 C ATOM 0 H LEU B 119 -6.927 102.314 9.496 1.00 21.17 H new ATOM 0 HA LEU B 119 -8.659 103.048 7.737 1.00 22.41 H new ATOM 0 HB2 LEU B 119 -6.581 104.539 9.010 1.00 24.26 H new ATOM 0 HB3 LEU B 119 -7.624 105.254 8.097 1.00 24.26 H new ATOM 0 HG LEU B 119 -8.439 103.752 10.349 1.00 26.45 H new ATOM 0 HD11 LEU B 119 -8.690 105.713 11.562 1.00 26.18 H new ATOM 0 HD12 LEU B 119 -7.170 105.494 11.175 1.00 26.18 H new ATOM 0 HD13 LEU B 119 -8.051 106.534 10.368 1.00 26.18 H new ATOM 0 HD21 LEU B 119 -10.495 104.933 10.069 1.00 26.88 H new ATOM 0 HD22 LEU B 119 -9.874 105.705 8.833 1.00 26.88 H new ATOM 0 HD23 LEU B 119 -10.143 104.147 8.739 1.00 26.88 H new ATOM 2252 N PHE B 120 -5.762 102.881 6.543 1.00 21.07 N ATOM 2253 CA PHE B 120 -5.024 102.905 5.289 1.00 23.50 C ATOM 2254 C PHE B 120 -5.597 101.881 4.358 1.00 23.21 C ATOM 2255 O PHE B 120 -5.618 102.099 3.181 1.00 22.51 O ATOM 2256 CB PHE B 120 -3.539 102.585 5.525 1.00 24.80 C ATOM 2257 CG PHE B 120 -2.729 102.411 4.269 1.00 24.01 C ATOM 2258 CD1 PHE B 120 -2.661 101.178 3.665 1.00 24.63 C ATOM 2259 CD2 PHE B 120 -1.991 103.448 3.747 1.00 23.40 C ATOM 2260 CE1 PHE B 120 -1.888 100.968 2.535 1.00 25.53 C ATOM 2261 CE2 PHE B 120 -1.207 103.256 2.624 1.00 25.28 C ATOM 2262 CZ PHE B 120 -1.165 102.000 1.998 1.00 25.48 C ATOM 0 H PHE B 120 -5.319 102.595 7.222 1.00 21.07 H new ATOM 0 HA PHE B 120 -5.099 103.792 4.904 1.00 23.50 H new ATOM 0 HB2 PHE B 120 -3.147 103.298 6.053 1.00 24.80 H new ATOM 0 HB3 PHE B 120 -3.475 101.773 6.052 1.00 24.80 H new ATOM 0 HD1 PHE B 120 -3.145 100.469 4.023 1.00 24.63 H new ATOM 0 HD2 PHE B 120 -2.020 104.285 4.152 1.00 23.40 H new ATOM 0 HE1 PHE B 120 -1.860 100.126 2.141 1.00 25.53 H new ATOM 0 HE2 PHE B 120 -0.706 103.961 2.282 1.00 25.28 H new ATOM 0 HZ PHE B 120 -0.655 101.871 1.231 1.00 25.48 H new ATOM 2263 N LEU B 121 -6.046 100.764 4.908 1.00 23.62 N ATOM 2264 CA LEU B 121 -6.531 99.666 4.094 1.00 24.35 C ATOM 2265 C LEU B 121 -8.023 99.674 3.848 1.00 24.25 C ATOM 2266 O LEU B 121 -8.466 99.144 2.834 1.00 27.06 O ATOM 2267 CB LEU B 121 -6.233 98.364 4.774 1.00 24.15 C ATOM 2268 CG LEU B 121 -4.771 98.006 4.852 1.00 24.22 C ATOM 2269 CD1 LEU B 121 -4.621 96.901 5.871 1.00 24.39 C ATOM 2270 CD2 LEU B 121 -4.277 97.561 3.474 1.00 24.02 C ATOM 0 H LEU B 121 -6.078 100.622 5.756 1.00 23.62 H new ATOM 0 HA LEU B 121 -6.078 99.772 3.243 1.00 24.35 H new ATOM 0 HB2 LEU B 121 -6.593 98.395 5.674 1.00 24.15 H new ATOM 0 HB3 LEU B 121 -6.701 97.655 4.305 1.00 24.15 H new ATOM 0 HG LEU B 121 -4.238 98.770 5.122 1.00 24.22 H new ATOM 0 HD11 LEU B 121 -3.687 96.650 5.942 1.00 24.39 H new ATOM 0 HD12 LEU B 121 -4.938 97.211 6.734 1.00 24.39 H new ATOM 0 HD13 LEU B 121 -5.142 96.131 5.593 1.00 24.39 H new ATOM 0 HD21 LEU B 121 -3.336 97.331 3.526 1.00 24.02 H new ATOM 0 HD22 LEU B 121 -4.783 96.786 3.183 1.00 24.02 H new ATOM 0 HD23 LEU B 121 -4.398 98.283 2.838 1.00 24.02 H new ATOM 2271 N GLN B 122 -8.791 100.256 4.765 1.00 22.47 N ATOM 2272 CA GLN B 122 -10.212 100.174 4.705 1.00 22.40 C ATOM 2273 C GLN B 122 -10.909 101.502 4.768 1.00 21.44 C ATOM 2274 O GLN B 122 -12.057 101.541 5.152 1.00 22.62 O ATOM 2275 CB GLN B 122 -10.697 99.241 5.807 1.00 23.69 C ATOM 2276 CG GLN B 122 -10.075 97.874 5.641 1.00 24.81 C ATOM 2277 CD GLN B 122 -10.870 96.718 6.242 1.00 27.33 C ATOM 2278 OE1 GLN B 122 -11.264 96.727 7.410 1.00 29.31 O ATOM 2279 NE2 GLN B 122 -11.024 95.668 5.459 1.00 29.73 N ATOM 0 H GLN B 122 -8.488 100.705 5.432 1.00 22.47 H new ATOM 0 HA GLN B 122 -10.444 99.818 3.833 1.00 22.40 H new ATOM 0 HB2 GLN B 122 -10.465 99.606 6.675 1.00 23.69 H new ATOM 0 HB3 GLN B 122 -11.664 99.170 5.778 1.00 23.69 H new ATOM 0 HG2 GLN B 122 -9.951 97.704 4.694 1.00 24.81 H new ATOM 0 HG3 GLN B 122 -9.193 97.885 6.045 1.00 24.81 H new ATOM 0 HE21 GLN B 122 -10.739 95.691 4.648 1.00 29.73 H new ATOM 0 HE22 GLN B 122 -11.410 94.960 5.759 1.00 29.73 H new ATOM 2280 N SER B 123 -10.258 102.561 4.305 1.00 20.93 N ATOM 2281 CA SER B 123 -10.892 103.881 4.169 1.00 21.10 C ATOM 2282 C SER B 123 -10.261 104.735 3.099 1.00 23.07 C ATOM 2283 O SER B 123 -9.135 104.539 2.673 1.00 22.81 O ATOM 2284 CB SER B 123 -10.856 104.685 5.488 1.00 20.04 C ATOM 2285 OG SER B 123 -9.592 105.246 5.781 1.00 18.54 O ATOM 0 H SER B 123 -9.434 102.542 4.058 1.00 20.93 H new ATOM 0 HA SER B 123 -11.808 103.682 3.921 1.00 21.10 H new ATOM 0 HB2 SER B 123 -11.513 105.397 5.441 1.00 20.04 H new ATOM 0 HB3 SER B 123 -11.119 104.104 6.218 1.00 20.04 H new ATOM 0 HG SER B 123 -9.037 104.631 5.919 1.00 18.54 H new ATOM 2286 N HIS B 124 -11.013 105.743 2.732 1.00 26.91 N ATOM 2287 CA HIS B 124 -10.614 106.784 1.763 1.00 28.67 C ATOM 2288 C HIS B 124 -9.653 107.829 2.376 1.00 24.99 C ATOM 2289 O HIS B 124 -8.953 108.477 1.669 1.00 23.25 O ATOM 2290 CB HIS B 124 -11.888 107.504 1.276 1.00 31.10 C ATOM 2291 CG HIS B 124 -12.771 107.974 2.394 1.00 38.43 C ATOM 2292 ND1 HIS B 124 -13.062 109.308 2.598 1.00 43.66 N ATOM 2293 CD2 HIS B 124 -13.399 107.296 3.395 1.00 42.53 C ATOM 2294 CE1 HIS B 124 -13.857 109.436 3.648 1.00 48.68 C ATOM 2295 NE2 HIS B 124 -14.072 108.228 4.154 1.00 52.57 N ATOM 0 H HIS B 124 -11.806 105.862 3.043 1.00 26.91 H new ATOM 0 HA HIS B 124 -10.144 106.350 1.034 1.00 28.67 H new ATOM 0 HB2 HIS B 124 -11.633 108.266 0.732 1.00 31.10 H new ATOM 0 HB3 HIS B 124 -12.392 106.904 0.705 1.00 31.10 H new ATOM 0 HD2 HIS B 124 -13.377 106.377 3.539 1.00 42.53 H new ATOM 0 HE1 HIS B 124 -14.205 110.234 3.975 1.00 48.68 H new ATOM 0 HE2 HIS B 124 -14.554 108.055 4.845 1.00 52.57 H new ATOM 2296 N LEU B 125 -9.663 107.987 3.687 1.00 23.76 N ATOM 2297 CA LEU B 125 -8.942 109.053 4.351 1.00 23.62 C ATOM 2298 C LEU B 125 -7.529 109.153 3.893 1.00 26.82 C ATOM 2299 O LEU B 125 -6.854 108.128 3.774 1.00 28.53 O ATOM 2300 CB LEU B 125 -8.862 108.781 5.851 1.00 21.18 C ATOM 2301 CG LEU B 125 -10.173 108.770 6.593 1.00 21.63 C ATOM 2302 CD1 LEU B 125 -9.974 108.785 8.088 1.00 22.71 C ATOM 2303 CD2 LEU B 125 -11.006 109.966 6.249 1.00 23.21 C ATOM 0 H LEU B 125 -10.095 107.471 4.223 1.00 23.76 H new ATOM 0 HA LEU B 125 -9.426 109.867 4.143 1.00 23.62 H new ATOM 0 HB2 LEU B 125 -8.429 107.923 5.983 1.00 21.18 H new ATOM 0 HB3 LEU B 125 -8.289 109.453 6.253 1.00 21.18 H new ATOM 0 HG LEU B 125 -10.620 107.952 6.323 1.00 21.63 H new ATOM 0 HD11 LEU B 125 -10.838 108.777 8.530 1.00 22.71 H new ATOM 0 HD12 LEU B 125 -9.468 108.002 8.355 1.00 22.71 H new ATOM 0 HD13 LEU B 125 -9.488 109.585 8.342 1.00 22.71 H new ATOM 0 HD21 LEU B 125 -11.841 109.931 6.741 1.00 23.21 H new ATOM 0 HD22 LEU B 125 -10.525 110.774 6.486 1.00 23.21 H new ATOM 0 HD23 LEU B 125 -11.192 109.968 5.297 1.00 23.21 H new ATOM 2304 N ASN B 126 -7.006 110.361 3.742 1.00 28.75 N ATOM 2305 CA ASN B 126 -5.561 110.421 3.544 1.00 33.03 C ATOM 2306 C ASN B 126 -4.806 110.640 4.823 1.00 29.53 C ATOM 2307 O ASN B 126 -5.407 110.678 5.893 1.00 32.76 O ATOM 2308 CB ASN B 126 -5.185 111.397 2.477 1.00 36.15 C ATOM 2309 CG ASN B 126 -5.771 112.713 2.731 1.00 41.27 C ATOM 2310 OD1 ASN B 126 -5.719 113.271 3.871 1.00 45.17 O ATOM 2311 ND2 ASN B 126 -6.403 113.236 1.685 1.00 45.58 N ATOM 0 H ASN B 126 -7.430 111.109 3.749 1.00 28.75 H new ATOM 0 HA ASN B 126 -5.289 109.545 3.228 1.00 33.03 H new ATOM 0 HB2 ASN B 126 -4.219 111.474 2.432 1.00 36.15 H new ATOM 0 HB3 ASN B 126 -5.484 111.068 1.615 1.00 36.15 H new ATOM 0 HD21 ASN B 126 -6.806 113.992 1.760 1.00 45.58 H new ATOM 0 HD22 ASN B 126 -6.409 112.818 0.933 1.00 45.58 H new ATOM 2312 N SER B 127 -3.490 110.719 4.703 1.00 26.77 N ATOM 2313 CA SER B 127 -2.638 110.521 5.855 1.00 28.25 C ATOM 2314 C SER B 127 -2.867 111.571 6.878 1.00 26.46 C ATOM 2315 O SER B 127 -2.875 111.263 8.053 1.00 25.93 O ATOM 2316 CB SER B 127 -1.151 110.433 5.469 1.00 29.33 C ATOM 2317 OG SER B 127 -0.853 111.429 4.525 1.00 32.28 O ATOM 0 H SER B 127 -3.075 110.885 3.968 1.00 26.77 H new ATOM 0 HA SER B 127 -2.880 109.666 6.244 1.00 28.25 H new ATOM 0 HB2 SER B 127 -0.595 110.543 6.256 1.00 29.33 H new ATOM 0 HB3 SER B 127 -0.953 109.557 5.103 1.00 29.33 H new ATOM 0 HG SER B 127 -0.041 111.382 4.315 1.00 32.28 H new ATOM 2318 N GLU B 128 -3.006 112.805 6.427 1.00 29.14 N ATOM 2319 CA GLU B 128 -3.298 113.953 7.296 1.00 33.93 C ATOM 2320 C GLU B 128 -4.526 113.538 8.144 1.00 32.73 C ATOM 2321 O GLU B 128 -4.471 113.560 9.382 1.00 29.21 O ATOM 2322 CB GLU B 128 -3.563 115.224 6.446 1.00 41.65 C ATOM 2323 CG GLU B 128 -2.528 115.512 5.268 1.00 58.52 C ATOM 2324 CD GLU B 128 -2.893 115.103 3.761 1.00 63.53 C ATOM 2325 OE1 GLU B 128 -3.033 113.902 3.458 1.00 63.77 O ATOM 2326 OE2 GLU B 128 -2.933 115.969 2.817 1.00 71.97 O ATOM 0 H GLU B 128 -2.934 113.012 5.595 1.00 29.14 H new ATOM 0 HA GLU B 128 -2.552 114.178 7.873 1.00 33.93 H new ATOM 0 HB2 GLU B 128 -4.451 115.154 6.061 1.00 41.65 H new ATOM 0 HB3 GLU B 128 -3.571 115.991 7.039 1.00 41.65 H new ATOM 0 HG2 GLU B 128 -2.345 116.464 5.272 1.00 58.52 H new ATOM 0 HG3 GLU B 128 -1.699 115.063 5.496 1.00 58.52 H new ATOM 2327 N ASP B 129 -5.613 113.093 7.498 1.00 30.91 N ATOM 2328 CA ASP B 129 -6.814 112.806 8.257 1.00 32.89 C ATOM 2329 C ASP B 129 -6.654 111.560 9.118 1.00 28.22 C ATOM 2330 O ASP B 129 -7.205 111.473 10.191 1.00 25.43 O ATOM 2331 CB ASP B 129 -8.032 112.611 7.361 1.00 40.35 C ATOM 2332 CG ASP B 129 -8.305 113.780 6.443 1.00 46.01 C ATOM 2333 OD1 ASP B 129 -8.110 114.939 6.891 1.00 46.73 O ATOM 2334 OD2 ASP B 129 -8.756 113.503 5.283 1.00 49.27 O ATOM 0 H ASP B 129 -5.667 112.958 6.650 1.00 30.91 H new ATOM 0 HA ASP B 129 -6.954 113.581 8.823 1.00 32.89 H new ATOM 0 HB2 ASP B 129 -7.905 111.812 6.825 1.00 40.35 H new ATOM 0 HB3 ASP B 129 -8.812 112.458 7.917 1.00 40.35 H new ATOM 2335 N ILE B 130 -5.940 110.570 8.635 1.00 25.24 N ATOM 2336 CA ILE B 130 -5.731 109.379 9.450 1.00 24.81 C ATOM 2337 C ILE B 130 -5.131 109.763 10.761 1.00 24.49 C ATOM 2338 O ILE B 130 -5.630 109.387 11.843 1.00 24.48 O ATOM 2339 CB ILE B 130 -4.837 108.344 8.745 1.00 24.65 C ATOM 2340 CG1 ILE B 130 -5.546 107.818 7.477 1.00 24.53 C ATOM 2341 CG2 ILE B 130 -4.528 107.188 9.667 1.00 23.95 C ATOM 2342 CD1 ILE B 130 -4.719 106.854 6.658 1.00 24.40 C ATOM 0 H ILE B 130 -5.572 110.557 7.858 1.00 25.24 H new ATOM 0 HA ILE B 130 -6.597 108.965 9.593 1.00 24.81 H new ATOM 0 HB ILE B 130 -4.004 108.776 8.498 1.00 24.65 H new ATOM 0 HG12 ILE B 130 -6.371 107.379 7.739 1.00 24.53 H new ATOM 0 HG13 ILE B 130 -5.791 108.573 6.919 1.00 24.53 H new ATOM 0 HG21 ILE B 130 -3.965 106.547 9.205 1.00 23.95 H new ATOM 0 HG22 ILE B 130 -4.066 107.516 10.454 1.00 23.95 H new ATOM 0 HG23 ILE B 130 -5.355 106.757 9.934 1.00 23.95 H new ATOM 0 HD11 ILE B 130 -5.227 106.569 5.883 1.00 24.40 H new ATOM 0 HD12 ILE B 130 -3.905 107.293 6.366 1.00 24.40 H new ATOM 0 HD13 ILE B 130 -4.493 106.081 7.198 1.00 24.40 H new ATOM 2343 N GLU B 131 -4.053 110.531 10.668 1.00 27.35 N ATOM 2344 CA GLU B 131 -3.370 111.078 11.856 1.00 29.11 C ATOM 2345 C GLU B 131 -4.342 111.873 12.745 1.00 27.82 C ATOM 2346 O GLU B 131 -4.395 111.708 13.969 1.00 23.48 O ATOM 2347 CB GLU B 131 -2.188 111.930 11.421 1.00 33.85 C ATOM 2348 CG GLU B 131 -1.052 111.109 10.835 1.00 42.38 C ATOM 2349 CD GLU B 131 0.243 111.904 10.690 1.00 53.38 C ATOM 2350 OE1 GLU B 131 1.302 111.340 10.282 1.00 61.83 O ATOM 2351 OE2 GLU B 131 0.216 113.091 11.067 1.00 62.72 O ATOM 0 H GLU B 131 -3.691 110.754 9.921 1.00 27.35 H new ATOM 0 HA GLU B 131 -3.039 110.341 12.392 1.00 29.11 H new ATOM 0 HB2 GLU B 131 -2.486 112.577 10.763 1.00 33.85 H new ATOM 0 HB3 GLU B 131 -1.859 112.432 12.183 1.00 33.85 H new ATOM 0 HG2 GLU B 131 -0.891 110.338 11.401 1.00 42.38 H new ATOM 0 HG3 GLU B 131 -1.318 110.772 9.965 1.00 42.38 H new ATOM 2352 N ALA B 132 -5.153 112.718 12.117 1.00 26.36 N ATOM 2353 CA ALA B 132 -6.116 113.450 12.894 1.00 25.96 C ATOM 2354 C ALA B 132 -6.987 112.472 13.650 1.00 28.04 C ATOM 2355 O ALA B 132 -7.256 112.652 14.826 1.00 30.18 O ATOM 2356 CB ALA B 132 -6.955 114.320 12.001 1.00 25.96 C ATOM 0 H ALA B 132 -5.157 112.872 11.271 1.00 26.36 H new ATOM 0 HA ALA B 132 -5.654 114.024 13.525 1.00 25.96 H new ATOM 0 HB1 ALA B 132 -7.600 114.808 12.537 1.00 25.96 H new ATOM 0 HB2 ALA B 132 -6.384 114.948 11.532 1.00 25.96 H new ATOM 0 HB3 ALA B 132 -7.424 113.766 11.357 1.00 25.96 H new ATOM 2357 N CYS B 133 -7.395 111.409 12.964 1.00 29.36 N ATOM 2358 CA CYS B 133 -8.472 110.559 13.429 1.00 29.21 C ATOM 2359 C CYS B 133 -7.990 109.695 14.542 1.00 27.52 C ATOM 2360 O CYS B 133 -8.653 109.596 15.541 1.00 26.76 O ATOM 2361 CB CYS B 133 -9.008 109.676 12.298 1.00 31.85 C ATOM 2362 SG CYS B 133 -10.387 108.598 12.751 1.00 29.11 S ATOM 0 H CYS B 133 -7.051 111.164 12.215 1.00 29.36 H new ATOM 0 HA CYS B 133 -9.191 111.130 13.742 1.00 29.21 H new ATOM 0 HB2 CYS B 133 -9.290 110.247 11.567 1.00 31.85 H new ATOM 0 HB3 CYS B 133 -8.282 109.126 11.965 1.00 31.85 H new ATOM 0 HG CYS B 133 -11.392 108.992 12.227 1.00 29.11 H new ATOM 2363 N VAL B 134 -6.838 109.075 14.385 1.00 27.26 N ATOM 2364 CA VAL B 134 -6.320 108.225 15.476 1.00 29.85 C ATOM 2365 C VAL B 134 -5.835 109.040 16.674 1.00 29.64 C ATOM 2366 O VAL B 134 -5.630 108.503 17.717 1.00 28.88 O ATOM 2367 CB VAL B 134 -5.179 107.319 15.003 1.00 30.26 C ATOM 2368 CG1 VAL B 134 -5.647 106.457 13.843 1.00 31.53 C ATOM 2369 CG2 VAL B 134 -4.017 108.156 14.513 1.00 32.98 C ATOM 0 H VAL B 134 -6.343 109.120 13.683 1.00 27.26 H new ATOM 0 HA VAL B 134 -7.072 107.678 15.754 1.00 29.85 H new ATOM 0 HB VAL B 134 -4.905 106.765 15.751 1.00 30.26 H new ATOM 0 HG11 VAL B 134 -4.919 105.887 13.549 1.00 31.53 H new ATOM 0 HG12 VAL B 134 -6.393 105.907 14.129 1.00 31.53 H new ATOM 0 HG13 VAL B 134 -5.927 107.026 13.109 1.00 31.53 H new ATOM 0 HG21 VAL B 134 -3.301 107.573 14.216 1.00 32.98 H new ATOM 0 HG22 VAL B 134 -4.308 108.713 13.774 1.00 32.98 H new ATOM 0 HG23 VAL B 134 -3.697 108.719 15.235 1.00 32.98 H new ATOM 2370 N SER B 135 -5.649 110.342 16.499 1.00 33.73 N ATOM 2371 CA SER B 135 -5.263 111.259 17.568 1.00 34.19 C ATOM 2372 C SER B 135 -6.472 111.811 18.314 1.00 37.01 C ATOM 2373 O SER B 135 -6.306 112.605 19.226 1.00 47.18 O ATOM 2374 CB SER B 135 -4.504 112.459 16.993 1.00 33.53 C ATOM 2375 OG SER B 135 -3.217 112.110 16.554 1.00 39.49 O ATOM 0 H SER B 135 -5.746 110.728 15.737 1.00 33.73 H new ATOM 0 HA SER B 135 -4.708 110.748 18.178 1.00 34.19 H new ATOM 0 HB2 SER B 135 -5.006 112.833 16.252 1.00 33.53 H new ATOM 0 HB3 SER B 135 -4.437 113.152 17.669 1.00 33.53 H new ATOM 0 HG SER B 135 -3.245 111.903 15.740 1.00 39.49 H new ATOM 2376 N GLY B 136 -7.683 111.471 17.900 1.00 32.66 N ATOM 2377 CA GLY B 136 -8.862 111.969 18.571 1.00 31.23 C ATOM 2378 C GLY B 136 -9.291 113.358 18.150 1.00 31.31 C ATOM 2379 O GLY B 136 -10.104 113.951 18.783 1.00 34.93 O ATOM 0 H GLY B 136 -7.840 110.953 17.232 1.00 32.66 H new ATOM 0 HA2 GLY B 136 -9.595 111.355 18.409 1.00 31.23 H new ATOM 0 HA3 GLY B 136 -8.699 111.970 19.527 1.00 31.23 H new ATOM 2380 N GLN B 137 -8.793 113.874 17.059 1.00 32.62 N ATOM 2381 CA GLN B 137 -9.069 115.239 16.707 1.00 33.19 C ATOM 2382 C GLN B 137 -10.163 115.438 15.654 1.00 31.50 C ATOM 2383 O GLN B 137 -10.401 116.548 15.214 1.00 32.31 O ATOM 2384 CB GLN B 137 -7.763 115.853 16.245 1.00 38.11 C ATOM 2385 CG GLN B 137 -6.648 115.724 17.281 1.00 44.24 C ATOM 2386 CD GLN B 137 -5.435 116.523 16.834 1.00 54.07 C ATOM 2387 OE1 GLN B 137 -4.732 116.181 15.857 1.00 54.85 O ATOM 2388 NE2 GLN B 137 -5.218 117.640 17.508 1.00 63.31 N ATOM 0 H GLN B 137 -8.290 113.451 16.505 1.00 32.62 H new ATOM 0 HA GLN B 137 -9.427 115.677 17.495 1.00 33.19 H new ATOM 0 HB2 GLN B 137 -7.483 115.425 15.420 1.00 38.11 H new ATOM 0 HB3 GLN B 137 -7.905 116.791 16.044 1.00 38.11 H new ATOM 0 HG2 GLN B 137 -6.957 116.044 18.143 1.00 44.24 H new ATOM 0 HG3 GLN B 137 -6.407 114.791 17.395 1.00 44.24 H new ATOM 0 HE21 GLN B 137 -5.721 117.844 18.175 1.00 63.31 H new ATOM 0 HE22 GLN B 137 -4.574 118.162 17.279 1.00 63.31 H new ATOM 2389 N THR B 138 -10.827 114.373 15.243 1.00 30.51 N ATOM 2390 CA THR B 138 -11.834 114.451 14.199 1.00 30.70 C ATOM 2391 C THR B 138 -13.115 114.177 14.903 1.00 31.98 C ATOM 2392 O THR B 138 -13.134 113.577 15.982 1.00 33.23 O ATOM 2393 CB THR B 138 -11.710 113.335 13.172 1.00 31.35 C ATOM 2394 OG1 THR B 138 -11.443 112.096 13.841 1.00 34.97 O ATOM 2395 CG2 THR B 138 -10.582 113.597 12.258 1.00 32.94 C ATOM 0 H THR B 138 -10.708 113.583 15.561 1.00 30.51 H new ATOM 0 HA THR B 138 -11.758 115.305 13.745 1.00 30.70 H new ATOM 0 HB THR B 138 -12.541 113.291 12.673 1.00 31.35 H new ATOM 0 HG1 THR B 138 -12.146 111.637 13.872 1.00 34.97 H new ATOM 0 HG21 THR B 138 -10.516 112.878 11.610 1.00 32.94 H new ATOM 0 HG22 THR B 138 -10.729 114.436 11.795 1.00 32.94 H new ATOM 0 HG23 THR B 138 -9.758 113.649 12.767 1.00 32.94 H new ATOM 2396 N LYS B 139 -14.193 114.627 14.312 1.00 30.61 N ATOM 2397 CA LYS B 139 -15.464 114.370 14.890 1.00 31.43 C ATOM 2398 C LYS B 139 -15.771 112.873 14.807 1.00 31.28 C ATOM 2399 O LYS B 139 -16.392 112.330 15.698 1.00 35.17 O ATOM 2400 CB LYS B 139 -16.508 115.173 14.139 1.00 34.21 C ATOM 2401 CG LYS B 139 -17.761 115.397 14.934 1.00 39.24 C ATOM 2402 CD LYS B 139 -18.868 116.031 14.127 1.00 45.73 C ATOM 2403 CE LYS B 139 -20.191 115.312 14.378 1.00 57.30 C ATOM 2404 NZ LYS B 139 -21.311 116.287 14.383 1.00 68.01 N ATOM 0 H LYS B 139 -14.204 115.080 13.581 1.00 30.61 H new ATOM 0 HA LYS B 139 -15.470 114.631 15.824 1.00 31.43 H new ATOM 0 HB2 LYS B 139 -16.131 116.032 13.891 1.00 34.21 H new ATOM 0 HB3 LYS B 139 -16.732 114.712 13.315 1.00 34.21 H new ATOM 0 HG2 LYS B 139 -18.070 114.548 15.286 1.00 39.24 H new ATOM 0 HG3 LYS B 139 -17.558 115.963 15.695 1.00 39.24 H new ATOM 0 HD2 LYS B 139 -18.953 116.968 14.364 1.00 45.73 H new ATOM 0 HD3 LYS B 139 -18.648 115.996 13.183 1.00 45.73 H new ATOM 0 HE2 LYS B 139 -20.339 114.643 13.691 1.00 57.30 H new ATOM 0 HE3 LYS B 139 -20.157 114.844 15.227 1.00 57.30 H new ATOM 0 HZ1 LYS B 139 -22.077 115.859 14.530 1.00 68.01 H new ATOM 0 HZ2 LYS B 139 -21.179 116.888 15.026 1.00 68.01 H new ATOM 0 HZ3 LYS B 139 -21.349 116.700 13.596 1.00 68.01 H new ATOM 2405 N TYR B 140 -15.351 112.217 13.720 1.00 30.22 N ATOM 2406 CA TYR B 140 -15.698 110.810 13.453 1.00 25.39 C ATOM 2407 C TYR B 140 -14.719 109.880 14.089 1.00 23.99 C ATOM 2408 O TYR B 140 -13.571 110.226 14.163 1.00 24.28 O ATOM 2409 CB TYR B 140 -15.741 110.514 11.956 1.00 23.17 C ATOM 2410 CG TYR B 140 -14.585 110.980 11.175 1.00 23.65 C ATOM 2411 CD1 TYR B 140 -13.418 110.225 11.089 1.00 26.22 C ATOM 2412 CD2 TYR B 140 -14.629 112.172 10.495 1.00 24.55 C ATOM 2413 CE1 TYR B 140 -12.312 110.669 10.338 1.00 26.94 C ATOM 2414 CE2 TYR B 140 -13.544 112.628 9.713 1.00 25.89 C ATOM 2415 CZ TYR B 140 -12.393 111.887 9.635 1.00 26.61 C ATOM 2416 OH TYR B 140 -11.330 112.384 8.911 1.00 28.24 O ATOM 0 H TYR B 140 -14.856 112.574 13.114 1.00 30.22 H new ATOM 0 HA TYR B 140 -16.579 110.669 13.834 1.00 25.39 H new ATOM 0 HB2 TYR B 140 -15.825 109.555 11.836 1.00 23.17 H new ATOM 0 HB3 TYR B 140 -16.542 110.917 11.587 1.00 23.17 H new ATOM 0 HD1 TYR B 140 -13.368 109.411 11.536 1.00 26.22 H new ATOM 0 HD2 TYR B 140 -15.396 112.695 10.551 1.00 24.55 H new ATOM 0 HE1 TYR B 140 -11.533 110.161 10.307 1.00 26.94 H new ATOM 0 HE2 TYR B 140 -13.611 113.432 9.250 1.00 25.89 H new ATOM 0 HH TYR B 140 -10.865 111.747 8.622 1.00 28.24 H new ATOM 2417 N SER B 141 -15.144 108.688 14.510 1.00 22.89 N ATOM 2418 CA SER B 141 -14.182 107.666 14.935 1.00 22.19 C ATOM 2419 C SER B 141 -13.586 106.896 13.777 1.00 21.78 C ATOM 2420 O SER B 141 -13.985 107.025 12.631 1.00 21.95 O ATOM 2421 CB SER B 141 -14.821 106.685 15.905 1.00 22.84 C ATOM 2422 OG SER B 141 -15.831 105.906 15.280 1.00 25.88 O ATOM 0 H SER B 141 -15.970 108.452 14.557 1.00 22.89 H new ATOM 0 HA SER B 141 -13.464 108.147 15.374 1.00 22.19 H new ATOM 0 HB2 SER B 141 -14.139 106.099 16.268 1.00 22.84 H new ATOM 0 HB3 SER B 141 -15.204 107.172 16.652 1.00 22.84 H new ATOM 0 HG SER B 141 -16.303 106.399 14.790 1.00 25.88 H new ATOM 2423 N VAL B 142 -12.667 106.025 14.124 1.00 22.04 N ATOM 2424 CA VAL B 142 -12.064 105.119 13.192 1.00 22.02 C ATOM 2425 C VAL B 142 -13.107 104.183 12.601 1.00 25.18 C ATOM 2426 O VAL B 142 -13.128 103.956 11.388 1.00 24.63 O ATOM 2427 CB VAL B 142 -10.974 104.287 13.914 1.00 19.98 C ATOM 2428 CG1 VAL B 142 -10.442 103.203 13.000 1.00 21.27 C ATOM 2429 CG2 VAL B 142 -9.832 105.169 14.317 1.00 18.06 C ATOM 0 H VAL B 142 -12.372 105.945 14.928 1.00 22.04 H new ATOM 0 HA VAL B 142 -11.665 105.633 12.472 1.00 22.02 H new ATOM 0 HB VAL B 142 -11.377 103.885 14.700 1.00 19.98 H new ATOM 0 HG11 VAL B 142 -9.762 102.692 13.466 1.00 21.27 H new ATOM 0 HG12 VAL B 142 -11.167 102.614 12.740 1.00 21.27 H new ATOM 0 HG13 VAL B 142 -10.056 103.608 12.208 1.00 21.27 H new ATOM 0 HG21 VAL B 142 -9.156 104.638 14.768 1.00 18.06 H new ATOM 0 HG22 VAL B 142 -9.446 105.580 13.528 1.00 18.06 H new ATOM 0 HG23 VAL B 142 -10.153 105.860 14.917 1.00 18.06 H new ATOM 2430 N GLU B 143 -13.974 103.644 13.462 1.00 30.55 N ATOM 2431 CA GLU B 143 -14.993 102.716 13.011 1.00 34.63 C ATOM 2432 C GLU B 143 -15.905 103.508 12.111 1.00 27.83 C ATOM 2433 O GLU B 143 -16.259 103.073 11.030 1.00 27.23 O ATOM 2434 CB GLU B 143 -15.774 102.058 14.153 1.00 48.92 C ATOM 2435 CG GLU B 143 -14.995 101.655 15.450 1.00 69.57 C ATOM 2436 CD GLU B 143 -14.477 100.178 15.487 1.00 83.76 C ATOM 2437 OE1 GLU B 143 -14.242 99.624 14.388 1.00 97.13 O ATOM 2438 OE2 GLU B 143 -14.315 99.538 16.588 1.00 79.80 O ATOM 0 H GLU B 143 -13.983 103.806 14.306 1.00 30.55 H new ATOM 0 HA GLU B 143 -14.576 101.973 12.548 1.00 34.63 H new ATOM 0 HB2 GLU B 143 -16.486 102.664 14.412 1.00 48.92 H new ATOM 0 HB3 GLU B 143 -16.196 101.259 13.801 1.00 48.92 H new ATOM 0 HG2 GLU B 143 -14.237 102.251 15.552 1.00 69.57 H new ATOM 0 HG3 GLU B 143 -15.574 101.799 16.215 1.00 69.57 H new ATOM 2439 N GLU B 144 -16.221 104.712 12.477 1.00 24.37 N ATOM 2440 CA GLU B 144 -17.104 105.450 11.617 1.00 27.33 C ATOM 2441 C GLU B 144 -16.552 105.627 10.225 1.00 26.60 C ATOM 2442 O GLU B 144 -17.294 105.580 9.234 1.00 27.25 O ATOM 2443 CB GLU B 144 -17.500 106.777 12.244 1.00 32.03 C ATOM 2444 CG GLU B 144 -18.603 106.605 13.304 1.00 36.80 C ATOM 2445 CD GLU B 144 -18.670 107.735 14.335 1.00 43.20 C ATOM 2446 OE1 GLU B 144 -18.975 107.454 15.517 1.00 55.80 O ATOM 2447 OE2 GLU B 144 -18.457 108.910 13.969 1.00 44.29 O ATOM 0 H GLU B 144 -15.952 105.114 13.188 1.00 24.37 H new ATOM 0 HA GLU B 144 -17.909 104.917 11.519 1.00 27.33 H new ATOM 0 HB2 GLU B 144 -16.721 107.187 12.652 1.00 32.03 H new ATOM 0 HB3 GLU B 144 -17.809 107.382 11.552 1.00 32.03 H new ATOM 0 HG2 GLU B 144 -19.460 106.540 12.855 1.00 36.80 H new ATOM 0 HG3 GLU B 144 -18.462 105.765 13.769 1.00 36.80 H new ATOM 2448 N ALA B 145 -15.254 105.849 10.125 1.00 23.36 N ATOM 2449 CA ALA B 145 -14.689 106.225 8.849 1.00 20.97 C ATOM 2450 C ALA B 145 -14.683 105.045 7.951 1.00 22.22 C ATOM 2451 O ALA B 145 -14.878 105.174 6.751 1.00 22.37 O ATOM 2452 CB ALA B 145 -13.293 106.692 9.043 1.00 19.93 C ATOM 0 H ALA B 145 -14.692 105.788 10.773 1.00 23.36 H new ATOM 0 HA ALA B 145 -15.220 106.936 8.458 1.00 20.97 H new ATOM 0 HB1 ALA B 145 -12.914 106.944 8.186 1.00 19.93 H new ATOM 0 HB2 ALA B 145 -13.288 107.459 9.637 1.00 19.93 H new ATOM 0 HB3 ALA B 145 -12.764 105.978 9.433 1.00 19.93 H new ATOM 2453 N ILE B 146 -14.429 103.889 8.540 1.00 22.86 N ATOM 2454 CA ILE B 146 -14.365 102.658 7.800 1.00 23.81 C ATOM 2455 C ILE B 146 -15.765 102.254 7.272 1.00 27.48 C ATOM 2456 O ILE B 146 -15.894 101.834 6.091 1.00 28.71 O ATOM 2457 CB ILE B 146 -13.812 101.541 8.670 1.00 22.15 C ATOM 2458 CG1 ILE B 146 -12.352 101.811 8.944 1.00 23.04 C ATOM 2459 CG2 ILE B 146 -13.928 100.214 7.951 1.00 22.18 C ATOM 2460 CD1 ILE B 146 -11.646 100.818 9.878 1.00 23.61 C ATOM 0 H ILE B 146 -14.289 103.802 9.384 1.00 22.86 H new ATOM 0 HA ILE B 146 -13.774 102.799 7.044 1.00 23.81 H new ATOM 0 HB ILE B 146 -14.316 101.506 9.498 1.00 22.15 H new ATOM 0 HG12 ILE B 146 -11.879 101.823 8.097 1.00 23.04 H new ATOM 0 HG13 ILE B 146 -12.272 102.699 9.326 1.00 23.04 H new ATOM 0 HG21 ILE B 146 -13.573 99.509 8.514 1.00 22.18 H new ATOM 0 HG22 ILE B 146 -14.860 100.032 7.755 1.00 22.18 H new ATOM 0 HG23 ILE B 146 -13.425 100.250 7.122 1.00 22.18 H new ATOM 0 HD11 ILE B 146 -10.718 101.080 9.988 1.00 23.61 H new ATOM 0 HD12 ILE B 146 -12.086 100.818 10.743 1.00 23.61 H new ATOM 0 HD13 ILE B 146 -11.687 99.928 9.495 1.00 23.61 H new ATOM 2461 N HIS B 147 -16.777 102.335 8.149 1.00 26.96 N ATOM 2462 CA HIS B 147 -18.130 102.049 7.767 1.00 27.58 C ATOM 2463 C HIS B 147 -18.559 103.034 6.701 1.00 27.96 C ATOM 2464 O HIS B 147 -19.080 102.652 5.682 1.00 30.69 O ATOM 2465 CB HIS B 147 -19.066 102.069 8.981 1.00 28.56 C ATOM 2466 CG HIS B 147 -18.969 100.836 9.842 1.00 29.79 C ATOM 2467 ND1 HIS B 147 -19.879 99.813 9.782 1.00 29.71 N ATOM 2468 CD2 HIS B 147 -18.066 100.464 10.782 1.00 32.18 C ATOM 2469 CE1 HIS B 147 -19.539 98.861 10.636 1.00 31.29 C ATOM 2470 NE2 HIS B 147 -18.451 99.237 11.271 1.00 30.68 N ATOM 0 H HIS B 147 -16.680 102.558 8.974 1.00 26.96 H new ATOM 0 HA HIS B 147 -18.181 101.153 7.400 1.00 27.58 H new ATOM 0 HB2 HIS B 147 -18.864 102.848 9.522 1.00 28.56 H new ATOM 0 HB3 HIS B 147 -19.980 102.167 8.673 1.00 28.56 H new ATOM 0 HD1 HIS B 147 -20.567 99.793 9.267 1.00 29.71 H new ATOM 0 HD2 HIS B 147 -17.320 100.951 11.049 1.00 32.18 H new ATOM 0 HE1 HIS B 147 -19.994 98.060 10.765 1.00 31.29 H new ATOM 2471 N LYS B 148 -18.306 104.308 6.866 1.00 32.72 N ATOM 2472 CA LYS B 148 -18.738 105.254 5.803 1.00 36.63 C ATOM 2473 C LYS B 148 -18.061 104.974 4.486 1.00 32.40 C ATOM 2474 O LYS B 148 -18.616 105.218 3.467 1.00 32.62 O ATOM 2475 CB LYS B 148 -18.529 106.706 6.178 1.00 43.02 C ATOM 2476 CG LYS B 148 -19.260 107.057 7.466 1.00 56.33 C ATOM 2477 CD LYS B 148 -20.687 107.580 7.286 1.00 69.95 C ATOM 2478 CE LYS B 148 -21.235 108.130 8.604 1.00 77.53 C ATOM 2479 NZ LYS B 148 -21.012 107.196 9.755 1.00 78.91 N ATOM 0 H LYS B 148 -17.906 104.657 7.543 1.00 32.72 H new ATOM 0 HA LYS B 148 -19.692 105.105 5.707 1.00 36.63 H new ATOM 0 HB2 LYS B 148 -17.581 106.881 6.284 1.00 43.02 H new ATOM 0 HB3 LYS B 148 -18.844 107.276 5.459 1.00 43.02 H new ATOM 0 HG2 LYS B 148 -19.289 106.268 8.029 1.00 56.33 H new ATOM 0 HG3 LYS B 148 -18.744 107.726 7.942 1.00 56.33 H new ATOM 0 HD2 LYS B 148 -20.698 108.276 6.611 1.00 69.95 H new ATOM 0 HD3 LYS B 148 -21.260 106.866 6.966 1.00 69.95 H new ATOM 0 HE2 LYS B 148 -20.812 108.981 8.796 1.00 77.53 H new ATOM 0 HE3 LYS B 148 -22.185 108.300 8.509 1.00 77.53 H new ATOM 0 HZ1 LYS B 148 -21.679 107.278 10.338 1.00 78.91 H new ATOM 0 HZ2 LYS B 148 -20.981 106.358 9.456 1.00 78.91 H new ATOM 0 HZ3 LYS B 148 -20.243 107.396 10.155 1.00 78.91 H new ATOM 2480 N PHE B 149 -16.850 104.455 4.502 1.00 31.27 N ATOM 2481 CA PHE B 149 -16.173 104.161 3.261 1.00 28.28 C ATOM 2482 C PHE B 149 -16.855 103.026 2.562 1.00 28.20 C ATOM 2483 O PHE B 149 -17.070 103.079 1.372 1.00 28.43 O ATOM 2484 CB PHE B 149 -14.751 103.753 3.514 1.00 28.34 C ATOM 2485 CG PHE B 149 -14.051 103.352 2.296 1.00 29.22 C ATOM 2486 CD1 PHE B 149 -13.950 104.254 1.217 1.00 30.88 C ATOM 2487 CD2 PHE B 149 -13.513 102.073 2.191 1.00 30.11 C ATOM 2488 CE1 PHE B 149 -13.306 103.886 0.053 1.00 31.24 C ATOM 2489 CE2 PHE B 149 -12.874 101.681 1.033 1.00 30.38 C ATOM 2490 CZ PHE B 149 -12.765 102.579 -0.032 1.00 33.05 C ATOM 0 H PHE B 149 -16.406 104.267 5.214 1.00 31.27 H new ATOM 0 HA PHE B 149 -16.195 104.963 2.716 1.00 28.28 H new ATOM 0 HB2 PHE B 149 -14.276 104.491 3.927 1.00 28.34 H new ATOM 0 HB3 PHE B 149 -14.738 103.018 4.147 1.00 28.34 H new ATOM 0 HD1 PHE B 149 -14.320 105.104 1.290 1.00 30.88 H new ATOM 0 HD2 PHE B 149 -13.584 101.480 2.904 1.00 30.11 H new ATOM 0 HE1 PHE B 149 -13.229 104.481 -0.658 1.00 31.24 H new ATOM 0 HE2 PHE B 149 -12.518 100.825 0.962 1.00 30.38 H new ATOM 0 HZ PHE B 149 -12.330 102.314 -0.810 1.00 33.05 H new ATOM 2491 N ALA B 150 -17.183 101.983 3.309 1.00 27.92 N ATOM 2492 CA ALA B 150 -17.833 100.836 2.727 1.00 27.15 C ATOM 2493 C ALA B 150 -19.194 101.255 2.169 1.00 28.74 C ATOM 2494 O ALA B 150 -19.519 100.927 1.018 1.00 26.17 O ATOM 2495 CB ALA B 150 -17.981 99.737 3.754 1.00 28.09 C ATOM 0 H ALA B 150 -17.036 101.925 4.154 1.00 27.92 H new ATOM 0 HA ALA B 150 -17.291 100.490 2.001 1.00 27.15 H new ATOM 0 HB1 ALA B 150 -18.419 98.972 3.349 1.00 28.09 H new ATOM 0 HB2 ALA B 150 -17.104 99.474 4.075 1.00 28.09 H new ATOM 0 HB3 ALA B 150 -18.514 100.059 4.498 1.00 28.09 H new ATOM 2496 N LEU B 151 -19.987 101.996 2.945 1.00 28.45 N ATOM 2497 CA LEU B 151 -21.256 102.449 2.418 1.00 29.09 C ATOM 2498 C LEU B 151 -21.050 103.237 1.125 1.00 33.89 C ATOM 2499 O LEU B 151 -21.667 102.892 0.125 1.00 35.66 O ATOM 2500 CB LEU B 151 -22.004 103.265 3.413 1.00 28.40 C ATOM 2501 CG LEU B 151 -22.215 102.588 4.751 1.00 32.14 C ATOM 2502 CD1 LEU B 151 -22.760 103.592 5.730 1.00 33.78 C ATOM 2503 CD2 LEU B 151 -23.184 101.429 4.719 1.00 34.87 C ATOM 0 H LEU B 151 -19.810 102.237 3.752 1.00 28.45 H new ATOM 0 HA LEU B 151 -21.789 101.663 2.223 1.00 29.09 H new ATOM 0 HB2 LEU B 151 -21.526 104.097 3.556 1.00 28.40 H new ATOM 0 HB3 LEU B 151 -22.869 103.495 3.040 1.00 28.40 H new ATOM 0 HG LEU B 151 -21.347 102.239 5.006 1.00 32.14 H new ATOM 0 HD11 LEU B 151 -22.897 103.164 6.590 1.00 33.78 H new ATOM 0 HD12 LEU B 151 -22.129 104.322 5.830 1.00 33.78 H new ATOM 0 HD13 LEU B 151 -23.605 103.938 5.403 1.00 33.78 H new ATOM 0 HD21 LEU B 151 -23.265 101.050 5.608 1.00 34.87 H new ATOM 0 HD22 LEU B 151 -24.052 101.741 4.420 1.00 34.87 H new ATOM 0 HD23 LEU B 151 -22.857 100.750 4.108 1.00 34.87 H new ATOM 2504 N MET B 152 -20.186 104.256 1.100 1.00 37.56 N ATOM 2505 CA MET B 152 -19.982 105.022 -0.150 1.00 47.20 C ATOM 2506 C MET B 152 -19.487 104.140 -1.262 1.00 42.42 C ATOM 2507 O MET B 152 -19.876 104.253 -2.400 1.00 37.10 O ATOM 2508 CB MET B 152 -18.959 106.155 -0.030 1.00 59.01 C ATOM 2509 CG MET B 152 -19.565 107.515 0.373 1.00 74.26 C ATOM 2510 SD MET B 152 -20.922 108.290 -0.614 1.00107.64 S ATOM 2511 CE MET B 152 -20.108 108.893 -2.115 1.00102.26 C ATOM 0 H MET B 152 -19.718 104.519 1.771 1.00 37.56 H new ATOM 0 HA MET B 152 -20.858 105.393 -0.337 1.00 47.20 H new ATOM 0 HB2 MET B 152 -18.289 105.904 0.625 1.00 59.01 H new ATOM 0 HB3 MET B 152 -18.502 106.255 -0.879 1.00 59.01 H new ATOM 0 HG2 MET B 152 -19.894 107.421 1.281 1.00 74.26 H new ATOM 0 HG3 MET B 152 -18.835 108.153 0.401 1.00 74.26 H new ATOM 0 HE1 MET B 152 -20.763 109.318 -2.690 1.00102.26 H new ATOM 0 HE2 MET B 152 -19.423 109.537 -1.876 1.00102.26 H new ATOM 0 HE3 MET B 152 -19.701 108.148 -2.584 1.00102.26 H new ATOM 2512 N ASN B 153 -18.616 103.240 -0.905 1.00 42.28 N ATOM 2513 CA ASN B 153 -17.906 102.483 -1.889 1.00 39.67 C ATOM 2514 C ASN B 153 -18.755 101.395 -2.503 1.00 38.22 C ATOM 2515 O ASN B 153 -18.552 101.051 -3.621 1.00 46.75 O ATOM 2516 CB ASN B 153 -16.699 101.894 -1.203 1.00 40.41 C ATOM 2517 CG ASN B 153 -15.630 101.583 -2.124 1.00 43.33 C ATOM 2518 OD1 ASN B 153 -15.366 102.320 -3.058 1.00 49.23 O ATOM 2519 ND2 ASN B 153 -14.943 100.503 -1.855 1.00 54.92 N ATOM 0 H ASN B 153 -18.419 103.050 -0.090 1.00 42.28 H new ATOM 0 HA ASN B 153 -17.649 103.063 -2.623 1.00 39.67 H new ATOM 0 HB2 ASN B 153 -16.374 102.518 -0.536 1.00 40.41 H new ATOM 0 HB3 ASN B 153 -16.961 101.087 -0.733 1.00 40.41 H new ATOM 0 HD21 ASN B 153 -14.272 100.287 -2.347 1.00 54.92 H new ATOM 0 HD22 ASN B 153 -15.162 100.009 -1.186 1.00 54.92 H new ATOM 2520 N ARG B 154 -19.713 100.859 -1.765 1.00 39.28 N ATOM 2521 CA ARG B 154 -20.625 99.805 -2.234 1.00 39.32 C ATOM 2522 C ARG B 154 -21.978 100.431 -2.687 1.00 47.55 C ATOM 2523 O ARG B 154 -23.024 99.764 -2.755 1.00 48.48 O ATOM 2524 CB ARG B 154 -20.857 98.807 -1.082 1.00 37.06 C ATOM 2525 CG ARG B 154 -19.612 98.029 -0.708 1.00 35.28 C ATOM 2526 CD ARG B 154 -19.698 97.248 0.590 1.00 33.26 C ATOM 2527 NE ARG B 154 -18.371 96.734 0.912 1.00 33.05 N ATOM 2528 CZ ARG B 154 -18.010 96.168 2.080 1.00 39.03 C ATOM 2529 NH1 ARG B 154 -18.878 95.992 3.088 1.00 38.08 N ATOM 2530 NH2 ARG B 154 -16.745 95.771 2.257 1.00 38.84 N ATOM 0 H ARG B 154 -19.862 101.099 -0.953 1.00 39.28 H new ATOM 0 HA ARG B 154 -20.235 99.344 -2.993 1.00 39.32 H new ATOM 0 HB2 ARG B 154 -21.176 99.289 -0.303 1.00 37.06 H new ATOM 0 HB3 ARG B 154 -21.556 98.185 -1.337 1.00 37.06 H new ATOM 0 HG2 ARG B 154 -19.407 97.411 -1.427 1.00 35.28 H new ATOM 0 HG3 ARG B 154 -18.868 98.649 -0.646 1.00 35.28 H new ATOM 0 HD2 ARG B 154 -20.021 97.818 1.305 1.00 33.26 H new ATOM 0 HD3 ARG B 154 -20.330 96.517 0.502 1.00 33.26 H new ATOM 0 HE ARG B 154 -17.767 96.798 0.303 1.00 33.05 H new ATOM 0 HH11 ARG B 154 -19.696 96.244 3.000 1.00 38.08 H new ATOM 0 HH12 ARG B 154 -18.617 95.627 3.822 1.00 38.08 H new ATOM 0 HH21 ARG B 154 -16.169 95.878 1.628 1.00 38.84 H new ATOM 0 HH22 ARG B 154 -16.508 95.409 3.000 1.00 38.84 H new ATOM 2531 N ARG B 155 -21.963 101.745 -2.914 1.00 51.80 N ATOM 2532 CA ARG B 155 -23.111 102.489 -3.411 1.00 53.05 C ATOM 2533 C ARG B 155 -24.411 102.244 -2.647 1.00 51.99 C ATOM 2534 O ARG B 155 -25.488 102.530 -3.123 1.00 58.26 O ATOM 2535 CB ARG B 155 -23.241 102.255 -4.914 1.00 59.50 C ATOM 2536 CG ARG B 155 -22.415 103.251 -5.727 1.00 68.57 C ATOM 2537 CD ARG B 155 -21.616 102.584 -6.861 1.00 82.16 C ATOM 2538 NE ARG B 155 -20.339 102.047 -6.348 1.00 92.15 N ATOM 2539 CZ ARG B 155 -19.203 101.899 -7.045 1.00 94.87 C ATOM 2540 NH1 ARG B 155 -19.126 102.246 -8.327 1.00 91.27 N ATOM 2541 NH2 ARG B 155 -18.122 101.391 -6.446 1.00 89.50 N ATOM 0 H ARG B 155 -21.269 102.235 -2.779 1.00 51.80 H new ATOM 0 HA ARG B 155 -22.943 103.430 -3.248 1.00 53.05 H new ATOM 0 HB2 ARG B 155 -22.955 101.352 -5.125 1.00 59.50 H new ATOM 0 HB3 ARG B 155 -24.174 102.325 -5.171 1.00 59.50 H new ATOM 0 HG2 ARG B 155 -23.006 103.921 -6.105 1.00 68.57 H new ATOM 0 HG3 ARG B 155 -21.802 103.715 -5.135 1.00 68.57 H new ATOM 0 HD2 ARG B 155 -22.139 101.868 -7.255 1.00 82.16 H new ATOM 0 HD3 ARG B 155 -21.443 103.229 -7.564 1.00 82.16 H new ATOM 0 HE ARG B 155 -20.323 101.806 -5.523 1.00 92.15 H new ATOM 0 HH11 ARG B 155 -19.814 102.573 -8.726 1.00 91.27 H new ATOM 0 HH12 ARG B 155 -18.388 102.143 -8.757 1.00 91.27 H new ATOM 0 HH21 ARG B 155 -18.157 101.161 -5.618 1.00 89.50 H new ATOM 0 HH22 ARG B 155 -17.391 101.294 -6.888 1.00 89.50 H new ATOM 2542 N PHE B 156 -24.290 101.776 -1.423 1.00 52.02 N ATOM 2543 CA PHE B 156 -25.403 101.688 -0.478 1.00 55.87 C ATOM 2544 C PHE B 156 -26.202 103.016 -0.447 1.00 70.58 C ATOM 2545 O PHE B 156 -25.605 104.087 -0.335 1.00 72.03 O ATOM 2546 CB PHE B 156 -24.786 101.485 0.909 1.00 52.24 C ATOM 2547 CG PHE B 156 -25.595 100.670 1.857 1.00 49.05 C ATOM 2548 CD1 PHE B 156 -25.405 99.269 1.932 1.00 47.67 C ATOM 2549 CD2 PHE B 156 -26.483 101.290 2.740 1.00 48.59 C ATOM 2550 CE1 PHE B 156 -26.112 98.501 2.835 1.00 44.50 C ATOM 2551 CE2 PHE B 156 -27.196 100.539 3.651 1.00 47.22 C ATOM 2552 CZ PHE B 156 -27.004 99.137 3.702 1.00 48.69 C ATOM 0 H PHE B 156 -23.544 101.492 -1.102 1.00 52.02 H new ATOM 0 HA PHE B 156 -25.999 100.967 -0.735 1.00 55.87 H new ATOM 0 HB2 PHE B 156 -23.919 101.063 0.802 1.00 52.24 H new ATOM 0 HB3 PHE B 156 -24.630 102.356 1.307 1.00 52.24 H new ATOM 0 HD1 PHE B 156 -24.794 98.859 1.363 1.00 47.67 H new ATOM 0 HD2 PHE B 156 -26.594 102.213 2.713 1.00 48.59 H new ATOM 0 HE1 PHE B 156 -25.997 97.579 2.866 1.00 44.50 H new ATOM 0 HE2 PHE B 156 -27.799 100.950 4.228 1.00 47.22 H new ATOM 0 HZ PHE B 156 -27.479 98.632 4.322 1.00 48.69 H new ATOM 2553 N PRO B 157 -27.546 102.963 -0.558 1.00 89.44 N ATOM 2554 CA PRO B 157 -28.431 104.095 -0.227 1.00 92.82 C ATOM 2555 C PRO B 157 -27.983 105.037 0.906 1.00 87.13 C ATOM 2556 O PRO B 157 -28.419 104.883 2.048 1.00 79.86 O ATOM 2557 CB PRO B 157 -29.720 103.364 0.148 1.00 93.57 C ATOM 2558 CG PRO B 157 -29.750 102.252 -0.874 1.00 93.94 C ATOM 2559 CD PRO B 157 -28.324 101.904 -1.233 1.00 90.74 C ATOM 0 HA PRO B 157 -28.478 104.717 -0.969 1.00 92.82 H new ATOM 0 HB2 PRO B 157 -29.695 103.024 1.056 1.00 93.57 H new ATOM 0 HB3 PRO B 157 -30.498 103.940 0.082 1.00 93.57 H new ATOM 0 HG2 PRO B 157 -30.208 101.476 -0.516 1.00 93.94 H new ATOM 0 HG3 PRO B 157 -30.239 102.531 -1.664 1.00 93.94 H new ATOM 0 HD2 PRO B 157 -28.079 101.021 -0.916 1.00 90.74 H new ATOM 0 HD3 PRO B 157 -28.183 101.911 -2.193 1.00 90.74 H new TER 2560 PRO B 157 HETATM 2561 N NO3 A 301 -18.093 93.416 5.319 1.00 25.42 N HETATM 2562 O1 NO3 A 301 -17.073 93.543 4.661 1.00 29.23 O HETATM 2563 O2 NO3 A 301 -17.984 92.843 6.547 1.00 25.74 O HETATM 2564 O3 NO3 A 301 -19.351 93.799 4.905 1.00 24.12 O HETATM 2565 N NO3 A 302 -56.217 97.479 -7.012 0.50 44.66 N HETATM 2566 O1 NO3 A 302 -55.869 96.795 -8.159 0.50 48.09 O HETATM 2567 O2 NO3 A 302 -56.993 98.621 -7.088 0.50 48.48 O HETATM 2568 O3 NO3 A 302 -55.818 97.108 -5.944 0.50 47.16 O HETATM 2569 N NO3 A 303 -43.683 86.980 -4.552 1.00 51.19 N HETATM 2570 O1 NO3 A 303 -43.766 88.416 -4.618 1.00 68.33 O HETATM 2571 O2 NO3 A 303 -42.670 86.205 -5.090 1.00 48.66 O HETATM 2572 O3 NO3 A 303 -44.500 86.299 -4.015 1.00 41.31 O HETATM 2573 N NO3 A 304 -48.264 85.681 -12.380 1.00 67.66 N HETATM 2574 O1 NO3 A 304 -49.127 85.456 -13.259 1.00 48.88 O HETATM 2575 O2 NO3 A 304 -47.669 86.957 -12.252 1.00 63.09 O HETATM 2576 O3 NO3 A 304 -47.841 84.689 -11.446 1.00 66.61 O HETATM 2577 N NO3 A 305 -48.337 83.863 14.218 0.50 61.65 N HETATM 2578 O1 NO3 A 305 -48.841 82.791 13.851 0.50 64.42 O HETATM 2579 O2 NO3 A 305 -49.097 85.051 14.108 0.50 53.61 O HETATM 2580 O3 NO3 A 305 -47.012 83.927 14.740 0.50 60.89 O HETATM 2581 C1 PE5 A 306 -22.844 92.303 -0.262 1.00 49.88 C HETATM 2582 C2 PE5 A 306 -23.159 93.631 -0.943 1.00 53.79 C HETATM 2583 O2 PE5 A 306 -22.482 94.773 -0.330 1.00 59.98 O HETATM 2584 C3 PE5 A 306 -23.214 95.696 0.544 1.00 55.68 C HETATM 2585 C4 PE5 A 306 -23.686 97.048 -0.038 1.00 51.82 C HETATM 0 H32 PE5 A 306 -23.997 95.229 0.876 1.00 55.68 H new HETATM 0 H31 PE5 A 306 -22.650 95.886 1.310 1.00 55.68 H new HETATM 0 H22 PE5 A 306 -22.904 93.576 -1.877 1.00 53.79 H new HETATM 0 H21 PE5 A 306 -24.117 93.780 -0.918 1.00 53.79 H new HETATM 2586 O2 PE5 A 307 -42.818 80.068 0.872 1.00 54.68 O HETATM 2587 C3 PE5 A 307 -43.491 79.000 1.638 1.00 59.72 C HETATM 2588 C4 PE5 A 307 -42.743 78.296 2.789 1.00 55.30 C HETATM 2589 O3 PE5 A 307 -42.664 76.883 2.611 1.00 51.23 O HETATM 0 H42 PE5 A 307 -41.847 78.660 2.858 1.00 55.30 H new HETATM 0 H41 PE5 A 307 -43.192 78.488 3.627 1.00 55.30 H new HETATM 0 H32 PE5 A 307 -44.304 79.378 2.009 1.00 59.72 H new HETATM 0 H31 PE5 A 307 -43.760 78.315 1.006 1.00 59.72 H new HETATM 2590 O1 PE5 A 308 -46.340 85.526 -9.322 0.50 53.40 O HETATM 2591 C1 PE5 A 308 -46.541 86.727 -8.566 0.50 58.58 C HETATM 2592 C2 PE5 A 308 -47.888 86.722 -7.844 0.50 59.55 C HETATM 2593 O2 PE5 A 308 -48.045 87.914 -7.063 0.50 66.21 O HETATM 2594 C3 PE5 A 308 -49.141 88.719 -7.501 0.50 69.61 C HETATM 2595 C4 PE5 A 308 -50.369 88.653 -6.596 0.50 68.35 C HETATM 2596 O3 PE5 A 308 -51.597 89.147 -7.169 0.50 63.15 O HETATM 2597 C5 PE5 A 308 -52.624 88.119 -7.273 0.50 71.57 C HETATM 2598 C6 PE5 A 308 -52.237 86.666 -6.921 0.50 73.62 C HETATM 2599 O4 PE5 A 308 -53.327 85.742 -7.158 0.50 73.66 O HETATM 2600 C7 PE5 A 308 -53.051 84.431 -6.636 0.50 74.26 C HETATM 2601 C8 PE5 A 308 -51.612 84.400 -6.097 0.50 72.44 C HETATM 2602 O5 PE5 A 308 -51.379 83.291 -5.222 0.50 70.64 O HETATM 0 H52A PE5 A 308 -53.362 88.377 -6.698 0.50 71.57 H new HETATM 0 H82 PE5 A 308 -50.992 84.357 -6.841 0.50 72.44 H new HETATM 0 H81 PE5 A 308 -51.429 85.226 -5.623 0.50 72.44 H new HETATM 0 H72 PE5 A 308 -53.678 84.213 -5.929 0.50 74.26 H new HETATM 0 H71 PE5 A 308 -53.163 83.763 -7.331 0.50 74.26 H new HETATM 0 H62 PE5 A 308 -51.468 86.400 -7.449 0.50 73.62 H new HETATM 0 H61 PE5 A 308 -51.971 86.619 -5.989 0.50 73.62 H new HETATM 0 H51 PE5 A 308 -52.958 88.125 -8.183 0.50 71.57 H new HETATM 0 H42 PE5 A 308 -50.504 87.730 -6.329 0.50 68.35 H new HETATM 0 H41 PE5 A 308 -50.183 89.157 -5.789 0.50 68.35 H new HETATM 0 H32 PE5 A 308 -48.847 89.641 -7.563 0.50 69.61 H new HETATM 0 H31 PE5 A 308 -49.396 88.442 -8.395 0.50 69.61 H new HETATM 0 H22 PE5 A 308 -48.607 86.656 -8.491 0.50 59.55 H new HETATM 0 H21 PE5 A 308 -47.950 85.942 -7.270 0.50 59.55 H new HETATM 0 H12 PE5 A 308 -45.826 86.825 -7.917 0.50 58.58 H new HETATM 0 H11 PE5 A 308 -46.494 87.494 -9.158 0.50 58.58 H new HETATM 2603 C2 PE5 A 309 -51.121 91.851 7.636 1.00 75.54 C HETATM 2604 O2 PE5 A 309 -51.711 91.326 6.433 1.00 83.53 O HETATM 2605 C3 PE5 A 309 -52.835 92.103 5.965 1.00 83.54 C HETATM 2606 C4 PE5 A 309 -52.537 93.614 5.998 1.00 85.46 C HETATM 2607 O3 PE5 A 309 -53.120 94.252 4.869 1.00 81.25 O HETATM 0 H42 PE5 A 309 -52.888 94.002 6.815 1.00 85.46 H new HETATM 0 H41 PE5 A 309 -51.578 93.762 6.003 1.00 85.46 H new HETATM 0 H32 PE5 A 309 -53.058 91.837 5.059 1.00 83.54 H new HETATM 0 H31 PE5 A 309 -53.611 91.914 6.515 1.00 83.54 H new HETATM 2608 O2 PE5 A 310 -50.807 89.466 8.477 1.00 66.38 O HETATM 2609 C3 PE5 A 310 -49.886 88.372 8.478 1.00 58.84 C HETATM 2610 C4 PE5 A 310 -49.727 87.866 9.911 1.00 58.62 C HETATM 2611 O3 PE5 A 310 -48.884 86.718 9.941 1.00 55.13 O HETATM 0 H42 PE5 A 310 -49.351 88.566 10.467 1.00 58.62 H new HETATM 0 H41 PE5 A 310 -50.596 87.646 10.281 1.00 58.62 H new HETATM 0 H32 PE5 A 310 -50.209 87.660 7.904 1.00 58.84 H new HETATM 0 H31 PE5 A 310 -49.028 88.654 8.124 1.00 58.84 H new HETATM 2612 N NO3 B 301 8.955 108.492 -3.037 1.00 40.96 N HETATM 2613 O1 NO3 B 301 8.837 108.461 -4.427 1.00 44.11 O HETATM 2614 O2 NO3 B 301 10.069 107.863 -2.482 1.00 41.86 O HETATM 2615 O3 NO3 B 301 8.128 109.048 -2.327 1.00 39.38 O HETATM 2616 N NO3 B 302 10.165 100.518 -6.535 1.00 85.53 N HETATM 2617 O1 NO3 B 302 10.169 99.509 -7.256 1.00 75.93 O HETATM 2618 O2 NO3 B 302 11.317 101.081 -5.987 1.00 79.82 O HETATM 2619 O3 NO3 B 302 8.994 101.199 -6.206 1.00 89.93 O HETATM 2620 N NO3 B 303 4.465 107.314 -9.531 1.00 61.08 N HETATM 2621 O1 NO3 B 303 5.744 107.185 -10.079 1.00 60.19 O HETATM 2622 O2 NO3 B 303 3.851 108.535 -9.784 1.00 57.65 O HETATM 2623 O3 NO3 B 303 3.924 106.416 -8.858 1.00 69.81 O HETATM 2624 N NO3 B 304 4.098 108.135 -5.415 1.00 52.85 N HETATM 2625 O1 NO3 B 304 3.665 109.213 -5.682 1.00 45.08 O HETATM 2626 O2 NO3 B 304 3.271 106.962 -5.526 1.00 63.93 O HETATM 2627 O3 NO3 B 304 5.454 108.160 -5.044 1.00 55.76 O HETATM 2628 N NO3 B 305 6.586 98.196 -22.071 1.00 76.80 N HETATM 2629 O1 NO3 B 305 5.480 97.864 -22.484 1.00 79.87 O HETATM 2630 O2 NO3 B 305 6.771 99.323 -21.242 1.00 58.52 O HETATM 2631 O3 NO3 B 305 7.666 97.407 -22.477 1.00 80.04 O HETATM 2632 N NO3 B 306 -17.381 109.392 1.926 1.00 75.51 N HETATM 2633 O1 NO3 B 306 -17.489 110.543 1.093 1.00 58.73 O HETATM 2634 O2 NO3 B 306 -16.443 108.346 1.681 1.00 58.78 O HETATM 2635 O3 NO3 B 306 -18.135 109.308 2.900 1.00 81.13 O HETATM 2636 C1 PE5 B 307 9.892 104.707 5.571 1.00 58.30 C HETATM 2637 C2 PE5 B 307 10.245 104.461 4.101 1.00 58.32 C HETATM 2638 O2 PE5 B 307 11.592 103.936 3.935 1.00 69.73 O HETATM 2639 C3 PE5 B 307 11.825 102.704 3.174 1.00 61.03 C HETATM 2640 C4 PE5 B 307 11.686 101.404 3.994 1.00 57.06 C HETATM 2641 O3 PE5 B 307 12.261 100.195 3.490 1.00 45.49 O HETATM 0 H42 PE5 B 307 12.072 101.568 4.869 1.00 57.06 H new HETATM 0 H41 PE5 B 307 10.739 101.243 4.127 1.00 57.06 H new HETATM 0 H32 PE5 B 307 11.200 102.673 2.433 1.00 61.03 H new HETATM 0 H31 PE5 B 307 12.716 102.738 2.792 1.00 61.03 H new HETATM 0 H22 PE5 B 307 9.608 103.838 3.718 1.00 58.32 H new HETATM 0 H21 PE5 B 307 10.161 105.292 3.607 1.00 58.32 H new HETATM 2642 C2 PE5 B 308 -18.443 100.831 15.029 1.00 52.97 C HETATM 2643 O2 PE5 B 308 -19.303 101.971 14.650 1.00 74.69 O HETATM 2644 C3 PE5 B 308 -19.688 102.206 13.240 1.00 70.24 C HETATM 2645 C4 PE5 B 308 -20.727 103.338 12.917 1.00 66.56 C HETATM 2646 O3 PE5 B 308 -20.926 103.593 11.480 1.00 62.91 O HETATM 2647 C5 PE5 B 308 -21.996 104.485 11.103 1.00 53.50 C HETATM 0 H42 PE5 B 308 -21.580 103.101 13.313 1.00 66.56 H new HETATM 0 H41 PE5 B 308 -20.436 104.160 13.342 1.00 66.56 H new HETATM 0 H32 PE5 B 308 -18.878 102.401 12.743 1.00 70.24 H new HETATM 0 H31 PE5 B 308 -20.042 101.374 12.890 1.00 70.24 H new HETATM 2648 O HOH A 401 -29.128 92.447 3.013 1.00 15.57 O HETATM 2649 O HOH A 402 -38.764 79.169 21.445 1.00 12.56 O HETATM 2650 O HOH A 403 -37.737 89.375 -18.375 1.00 14.25 O HETATM 2651 O HOH A 404 -38.892 75.165 19.010 1.00 28.17 O HETATM 2652 O HOH A 405 -53.628 89.355 3.268 1.00 17.87 O HETATM 2653 O HOH A 406 -40.282 97.504 -12.372 1.00 31.73 O HETATM 2654 O HOH B 401 -8.223 96.978 1.218 1.00 10.03 O HETATM 2655 O HOH B 402 -10.137 104.556 -2.588 1.00 14.95 O HETATM 2656 O HOH B 403 -10.488 97.409 10.085 1.00 12.18 O HETATM 2657 O HOH B 404 -1.838 87.057 1.800 1.00 18.29 O HETATM 2658 O HOH B 405 -0.008 111.148 -1.606 1.00 32.80 O HETATM 2659 O HOH B 406 -15.798 96.141 -0.845 1.00 25.77 O HETATM 2660 O HOH B 407 -11.800 113.674 6.444 1.00 31.14 O HETATM 2661 O HOH B 408 -10.864 95.845 14.871 1.00 27.88 O HETATM 2662 O HOH B 409 -8.811 98.078 14.743 1.00 30.26 O CONECT 254 361 CONECT 361 254 CONECT 1543 1650 CONECT 1650 1543 CONECT 2561 2562 2563 2564 CONECT 2562 2561 CONECT 2563 2561 CONECT 2564 2561 CONECT 2565 2566 2567 2568 CONECT 2566 2565 CONECT 2567 2565 CONECT 2568 2565 CONECT 2569 2570 2571 2572 CONECT 2570 2569 CONECT 2571 2569 CONECT 2572 2569 CONECT 2573 2574 2575 2576 CONECT 2574 2573 CONECT 2575 2573 CONECT 2576 2573 CONECT 2577 2578 2579 2580 CONECT 2578 2577 CONECT 2579 2577 CONECT 2580 2577 CONECT 2581 2582 CONECT 2582 2581 2583 CONECT 2583 2582 2584 CONECT 2584 2583 2585 CONECT 2585 2584 CONECT 2586 2587 CONECT 2587 2586 2588 CONECT 2588 2587 2589 CONECT 2589 2588 CONECT 2590 2591 CONECT 2591 2590 2592 CONECT 2592 2591 2593 CONECT 2593 2592 2594 CONECT 2594 2593 2595 CONECT 2595 2594 2596 CONECT 2596 2595 2597 CONECT 2597 2596 2598 CONECT 2598 2597 2599 CONECT 2599 2598 2600 CONECT 2600 2599 2601 CONECT 2601 2600 2602 CONECT 2602 2601 CONECT 2603 2604 CONECT 2604 2603 2605 CONECT 2605 2604 2606 CONECT 2606 2605 2607 CONECT 2607 2606 CONECT 2608 2609 CONECT 2609 2608 2610 CONECT 2610 2609 2611 CONECT 2611 2610 CONECT 2612 2613 2614 2615 CONECT 2613 2612 CONECT 2614 2612 CONECT 2615 2612 CONECT 2616 2617 2618 2619 CONECT 2617 2616 CONECT 2618 2616 CONECT 2619 2616 CONECT 2620 2621 2622 2623 CONECT 2621 2620 CONECT 2622 2620 CONECT 2623 2620 CONECT 2624 2625 2626 2627 CONECT 2625 2624 CONECT 2626 2624 CONECT 2627 2624 CONECT 2628 2629 2630 2631 CONECT 2629 2628 CONECT 2630 2628 CONECT 2631 2628 CONECT 2632 2633 2634 2635 CONECT 2633 2632 CONECT 2634 2632 CONECT 2635 2632 CONECT 2636 2637 CONECT 2637 2636 2638 CONECT 2638 2637 2639 CONECT 2639 2638 2640 CONECT 2640 2639 2641 CONECT 2641 2640 CONECT 2642 2643 CONECT 2643 2642 2644 CONECT 2644 2643 2645 CONECT 2645 2644 2646 CONECT 2646 2645 2647 CONECT 2647 2646 END