USER MOD reduce.3.24.130724 H: found=0, std=0, add=2853, rem=0, adj=93 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER STRUCTURAL PROTEIN 10-JUL-03 1PZ9 TITLE MODULATION OF AGRIN FUNCTION BY ALTERNATIVE SPLICING AND TITLE 2 CA2+ BINDING COMPND MOL_ID: 1; COMPND 2 MOLECULE: AGRIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 FRAGMENT: BASAL LAMINA DOMAIN; SOURCE 3 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 4 ORGANISM_COMMON: CHICKEN; SOURCE 5 ORGANISM_TAXID: 9031; SOURCE 6 GENE: AGRN; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS AGRIN, STRUCTURAL PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR J.STETEFELD,A.T.ALEXANDRESCU,M.W.MACIEJEWSKI,M.JENNY, AUTHOR 2 K.RATHGEB-SZABO,T.SCHULTHESS,R.LANDWEHR,S.FRANK,M.A.RUEGG, AUTHOR 3 R.A.KAMMERER REVDAT 2 24-FEB-09 1PZ9 1 VERSN REVDAT 1 13-APR-04 1PZ9 0 JRNL AUTH J.STETEFELD,A.T.ALEXANDRESCU,M.W.MACIEJEWSKI, JRNL AUTH 2 M.JENNY,K.RATHGEB-SZABO,T.SCHULTHESS,R.LANDWEHR, JRNL AUTH 3 S.FRANK,M.A.RUEGG,R.A.KAMMERER JRNL TITL MODULATION OF AGRIN FUNCTION BY ALTERNATIVE JRNL TITL 2 SPLICING AND CA2+ BINDING. JRNL REF STRUCTURE V. 12 503 2004 JRNL REFN ISSN 0969-2126 JRNL PMID 15016366 JRNL DOI 10.1016/J.STR.2004.02.001 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5 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) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 8056 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) : 0.240 REMARK 3 R VALUE (WORKING SET) : 0.238 REMARK 3 FREE R VALUE : 0.271 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.700 REMARK 3 FREE R VALUE TEST SET COUNT : 394 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) : 574 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.3350 REMARK 3 BIN FREE R VALUE SET COUNT : 37 REMARK 3 BIN FREE R VALUE : 0.3610 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2873 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 75 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.70 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.41000 REMARK 3 B22 (A**2) : 0.95000 REMARK 3 B33 (A**2) : -4.88000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -3.60000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): 0.467 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.593 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 29.275 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.897 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.898 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2932 ; 0.016 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): 2652 ; 0.001 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3975 ; 1.605 ; 1.946 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6167 ; 0.808 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 368 ; 2.383 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 512 ;16.994 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 453 ; 0.084 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3264 ; 0.005 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 570 ; 0.003 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 687 ; 0.277 ; 0.300 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 2803 ; 0.261 ; 0.300 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): 203 ; 0.158 ; 0.500 REMARK 3 H-BOND (X...Y) OTHERS (A): 7 ; 0.165 ; 0.500 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): 58 ; 0.258 ; 0.300 REMARK 3 SYMMETRY VDW OTHERS (A): 134 ; 0.308 ; 0.300 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 14 ; 0.318 ; 0.500 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): 1839 ; 0.756 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2948 ; 1.386 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1093 ; 1.600 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1027 ; 2.724 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 2 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 2 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 12 A 30 REMARK 3 RESIDUE RANGE : A 45 A 204 REMARK 3 ORIGIN FOR THE GROUP (A): 18.4420 8.0650 2.1660 REMARK 3 T TENSOR REMARK 3 T11: 0.0251 T22: 0.3917 REMARK 3 T33: 0.7505 T12: -0.0615 REMARK 3 T13: 0.1138 T23: -0.0403 REMARK 3 L TENSOR REMARK 3 L11: 1.0754 L22: 0.4367 REMARK 3 L33: 2.1634 L12: -0.1796 REMARK 3 L13: -0.2299 L23: -1.2178 REMARK 3 S TENSOR REMARK 3 S11: 0.0201 S12: -0.0920 S13: 0.0614 REMARK 3 S21: -0.1765 S22: 0.0446 S23: 0.0360 REMARK 3 S31: 0.2115 S32: 0.0107 S33: -0.0646 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 2 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 12 B 30 REMARK 3 RESIDUE RANGE : B 45 B 204 REMARK 3 ORIGIN FOR THE GROUP (A): 2.7780 17.5130 37.4850 REMARK 3 T TENSOR REMARK 3 T11: 0.0362 T22: 0.3332 REMARK 3 T33: 0.7050 T12: -0.0398 REMARK 3 T13: 0.1457 T23: -0.0250 REMARK 3 L TENSOR REMARK 3 L11: 1.4322 L22: 0.3637 REMARK 3 L33: 1.8810 L12: -0.6450 REMARK 3 L13: -0.6150 L23: 0.6605 REMARK 3 S TENSOR REMARK 3 S11: 0.0238 S12: 0.1326 S13: 0.0362 REMARK 3 S21: 0.0341 S22: -0.0598 S23: -0.0305 REMARK 3 S31: 0.2263 S32: -0.1356 S33: 0.0360 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 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 REMARK 3 RIDING POSITIONS REMARK 4 REMARK 4 1PZ9 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-JUL-03. REMARK 100 THE RCSB ID CODE IS RCSB019720. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG REMARK 200 BEAMLINE : BW7B REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8472 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.780 REMARK 200 RESOLUTION RANGE LOW (A) : 30.900 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.2 REMARK 200 DATA REDUNDANCY : 3.200 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.10200 REMARK 200 FOR THE DATA SET : 13.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 37.37 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.96 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 8000, PH 6.5, VAPOR DIFFUSION, REMARK 280 HANGING DROP, TEMPERATURE 276K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 51.08450 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 28.37550 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 51.08450 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 28.37550 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 GLU A 1 REMARK 465 LYS A 2 REMARK 465 VAL A 3 REMARK 465 ILE A 4 REMARK 465 ILE A 5 REMARK 465 GLU A 6 REMARK 465 LYS A 7 REMARK 465 ALA A 8 REMARK 465 ALA A 9 REMARK 465 SER A 35 REMARK 465 ASN A 36 REMARK 465 GLU A 37 REMARK 465 ILE A 38 REMARK 465 PRO A 39 REMARK 465 ALA A 200 REMARK 465 LYS A 201 REMARK 465 GLU B 1 REMARK 465 LYS B 2 REMARK 465 VAL B 3 REMARK 465 ILE B 4 REMARK 465 ILE B 5 REMARK 465 GLU B 6 REMARK 465 LYS B 7 REMARK 465 ALA B 8 REMARK 465 ALA B 9 REMARK 465 GLY B 10 REMARK 465 SER B 35 REMARK 465 ASN B 36 REMARK 465 GLU B 37 REMARK 465 ILE B 38 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 PRO B 39 CD 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 O HOH B 235 O HOH B 236 1.99 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 ASP A 81 CB - CG - OD2 ANGL. DEV. = 5.5 DEGREES REMARK 500 ASP A 175 CB - CG - OD2 ANGL. DEV. = 5.4 DEGREES REMARK 500 ASP B 11 CB - CG - OD2 ANGL. DEV. = 5.9 DEGREES REMARK 500 PRO B 39 N - CA - CB ANGL. DEV. = 8.3 DEGREES REMARK 500 ASP B 81 CB - CG - OD2 ANGL. DEV. = 6.1 DEGREES REMARK 500 ASP B 179 CB - CG - OD2 ANGL. DEV. = 5.5 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 ASP A 11 -118.60 79.17 REMARK 500 ARG A 20 14.33 -145.05 REMARK 500 HIS A 26 -62.22 -97.36 REMARK 500 ASN A 27 108.29 61.28 REMARK 500 ALA A 28 77.79 95.48 REMARK 500 VAL A 29 132.78 173.01 REMARK 500 THR A 30 122.50 -40.00 REMARK 500 LYS A 31 -15.81 -144.06 REMARK 500 SER A 32 -85.25 167.48 REMARK 500 HIS A 33 -122.36 -86.85 REMARK 500 GLU A 41 177.19 -48.29 REMARK 500 ALA A 43 77.84 -115.36 REMARK 500 LYS A 93 153.26 80.09 REMARK 500 TRP A 108 129.52 -31.68 REMARK 500 GLN A 117 -95.99 63.83 REMARK 500 GLU A 127 169.30 -45.66 REMARK 500 ALA A 138 161.24 -49.55 REMARK 500 THR A 139 -6.92 -144.62 REMARK 500 GLU A 153 -85.82 -54.26 REMARK 500 ARG A 154 103.41 -55.83 REMARK 500 SER A 156 -53.83 -25.74 REMARK 500 VAL A 157 44.86 -67.15 REMARK 500 LYS A 163 -30.81 -38.64 REMARK 500 VAL A 186 -74.83 -64.02 REMARK 500 ASN A 192 68.92 33.58 REMARK 500 HIS A 197 -178.08 -64.17 REMARK 500 ALA B 12 100.97 -20.76 REMARK 500 ASN B 27 96.51 15.00 REMARK 500 ALA B 28 98.85 100.22 REMARK 500 VAL B 29 128.82 156.43 REMARK 500 THR B 30 141.39 -35.70 REMARK 500 LYS B 31 -33.74 -155.78 REMARK 500 SER B 32 -44.31 173.52 REMARK 500 HIS B 33 -139.10 -132.59 REMARK 500 ALA B 40 -83.70 -83.95 REMARK 500 GLU B 70 -32.63 -33.24 REMARK 500 ASP B 81 23.04 42.01 REMARK 500 SER B 92 37.28 -144.80 REMARK 500 LYS B 93 144.16 81.83 REMARK 500 ASN B 106 18.98 31.58 REMARK 500 GLN B 117 -116.87 51.34 REMARK 500 GLU B 127 -174.32 -65.19 REMARK 500 ALA B 138 133.20 -39.20 REMARK 500 GLU B 153 -49.85 -28.49 REMARK 500 ARG B 154 25.20 -55.25 REMARK 500 SER B 156 35.50 -147.89 REMARK 500 LEU B 185 -57.86 -29.23 REMARK 500 VAL B 186 -74.04 -75.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH B 225 DISTANCE = 5.32 ANGSTROMS REMARK 525 HOH A 228 DISTANCE = 5.38 ANGSTROMS REMARK 525 HOH A 231 DISTANCE = 6.64 ANGSTROMS REMARK 525 HOH A 232 DISTANCE = 8.42 ANGSTROMS REMARK 525 HOH B 232 DISTANCE = 6.44 ANGSTROMS REMARK 525 HOH A 234 DISTANCE = 5.20 ANGSTROMS REMARK 525 HOH B 235 DISTANCE = 7.62 ANGSTROMS REMARK 525 HOH A 236 DISTANCE = 5.18 ANGSTROMS REMARK 525 HOH B 236 DISTANCE = 8.13 ANGSTROMS REMARK 525 HOH A 237 DISTANCE = 6.12 ANGSTROMS REMARK 525 HOH B 237 DISTANCE = 10.64 ANGSTROMS REMARK 525 HOH A 238 DISTANCE = 6.50 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1PZ7 RELATED DB: PDB REMARK 900 G3 DOMAIN OF AGRIN WITH B11 INSERT AND WITH CALCIUM REMARK 900 RELATED ID: 1PZ8 RELATED DB: PDB REMARK 900 G3 DOMAIN OF AGRIN WITH B8 INSERT AND WITH CALCIUM REMARK 900 RELATED ID: 1Q56 RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE B0 ISOFORM OF THE AGRIN G3 DOMAIN IN REMARK 900 ITS CA2+ BOUND STATE REMARK 999 REMARK 999 SEQUENCE REMARK 999 THE C-TERMINAL AGRIN DOMAIN HAS ALTERNATIVE SPLICE REMARK 999 VARIANTS, WE SOLVED THE STRUCTURE OF B11 (1PZ7) AND REMARK 999 B8 WITH (1PZ8) AND WITHOUT (1PZ9) CALCIUM, THEREFORE REMARK 999 THE SEQUENCE-FILE CONATINS EITHER 11 OR 8 RESIDUES REMARK 999 MORE THAN THE SO CALLED B0-INSERT, THE INSERT STARTS REMARK 999 AT TKS- AND ENDS AT EKA, B11:PDALDYPAEPS B8:HLSNEIPA REMARK 999 HOWEVER, NOT ALL THE SPLICE-RESIDUES ARE DETECTABLE REMARK 999 IN THE ELECTRON DENSITY MAP DBREF 1PZ9 A 1 201 UNP P31696 AGRN_CHICK 1752 1955 DBREF 1PZ9 B 1 201 UNP P31696 AGRN_CHICK 1752 1955 SEQADV 1PZ9 HIS A 33 UNP P31696 PRO 1784 SEE REMARK 999 SEQADV 1PZ9 LEU A 34 UNP P31696 ASP 1785 SEE REMARK 999 SEQADV 1PZ9 SER A 35 UNP P31696 ALA 1786 SEE REMARK 999 SEQADV 1PZ9 ASN A 36 UNP P31696 LEU 1787 SEE REMARK 999 SEQADV 1PZ9 GLU A 37 UNP P31696 ASP 1788 SEE REMARK 999 SEQADV 1PZ9 ILE A 38 UNP P31696 TYR 1789 SEE REMARK 999 SEQADV 1PZ9 A 42 UNP P31696 PRO 1793 SEE REMARK 999 SEQADV 1PZ9 A 43 UNP P31696 SER 1794 SEE REMARK 999 SEQADV 1PZ9 A 44 UNP P31696 GLU 1795 SEE REMARK 999 SEQADV 1PZ9 HIS B 33 UNP P31696 PRO 1784 SEE REMARK 999 SEQADV 1PZ9 LEU B 34 UNP P31696 ASP 1785 SEE REMARK 999 SEQADV 1PZ9 SER B 35 UNP P31696 ALA 1786 SEE REMARK 999 SEQADV 1PZ9 ASN B 36 UNP P31696 LEU 1787 SEE REMARK 999 SEQADV 1PZ9 GLU B 37 UNP P31696 ASP 1788 SEE REMARK 999 SEQADV 1PZ9 ILE B 38 UNP P31696 TYR 1789 SEE REMARK 999 SEQADV 1PZ9 B 42 UNP P31696 PRO 1793 SEE REMARK 999 SEQADV 1PZ9 B 43 UNP P31696 SER 1794 SEE REMARK 999 SEQADV 1PZ9 B 44 UNP P31696 GLU 1795 SEE REMARK 999 SEQRES 1 A 201 GLU LYS VAL ILE ILE GLU LYS ALA ALA GLY ASP ALA GLU SEQRES 2 A 201 ALA ILE ALA PHE ASP GLY ARG THR TYR MET GLU TYR HIS SEQRES 3 A 201 ASN ALA VAL THR LYS SER HIS LEU SER ASN GLU ILE PRO SEQRES 4 A 201 ALA GLU LYS ALA LEU GLN SER ASN HIS PHE GLU LEU SER SEQRES 5 A 201 ILE LYS THR GLU ALA THR GLN GLY LEU ILE LEU TRP SER SEQRES 6 A 201 GLY LYS GLY LEU GLU ARG SER ASP TYR ILE ALA LEU ALA SEQRES 7 A 201 ILE VAL ASP GLY PHE VAL GLN MET MET TYR ASP LEU GLY SEQRES 8 A 201 SER LYS PRO VAL VAL LEU ARG SER THR VAL PRO ILE ASN SEQRES 9 A 201 THR ASN HIS TRP THR HIS ILE LYS ALA TYR ARG VAL GLN SEQRES 10 A 201 ARG GLU GLY SER LEU GLN VAL GLY ASN GLU ALA PRO ILE SEQRES 11 A 201 THR GLY SER SER PRO LEU GLY ALA THR GLN LEU ASP THR SEQRES 12 A 201 ASP GLY ALA LEU TRP LEU GLY GLY MET GLU ARG LEU SER SEQRES 13 A 201 VAL ALA HIS LYS LEU PRO LYS ALA TYR SER THR GLY PHE SEQRES 14 A 201 ILE GLY CYS ILE ARG ASP VAL ILE VAL ASP ARG GLN GLU SEQRES 15 A 201 LEU HIS LEU VAL GLU ASP ALA LEU ASN ASN PRO THR ILE SEQRES 16 A 201 LEU HIS CYS SER ALA LYS SEQRES 1 B 201 GLU LYS VAL ILE ILE GLU LYS ALA ALA GLY ASP ALA GLU SEQRES 2 B 201 ALA ILE ALA PHE ASP GLY ARG THR TYR MET GLU TYR HIS SEQRES 3 B 201 ASN ALA VAL THR LYS SER HIS LEU SER ASN GLU ILE PRO SEQRES 4 B 201 ALA GLU LYS ALA LEU GLN SER ASN HIS PHE GLU LEU SER SEQRES 5 B 201 ILE LYS THR GLU ALA THR GLN GLY LEU ILE LEU TRP SER SEQRES 6 B 201 GLY LYS GLY LEU GLU ARG SER ASP TYR ILE ALA LEU ALA SEQRES 7 B 201 ILE VAL ASP GLY PHE VAL GLN MET MET TYR ASP LEU GLY SEQRES 8 B 201 SER LYS PRO VAL VAL LEU ARG SER THR VAL PRO ILE ASN SEQRES 9 B 201 THR ASN HIS TRP THR HIS ILE LYS ALA TYR ARG VAL GLN SEQRES 10 B 201 ARG GLU GLY SER LEU GLN VAL GLY ASN GLU ALA PRO ILE SEQRES 11 B 201 THR GLY SER SER PRO LEU GLY ALA THR GLN LEU ASP THR SEQRES 12 B 201 ASP GLY ALA LEU TRP LEU GLY GLY MET GLU ARG LEU SER SEQRES 13 B 201 VAL ALA HIS LYS LEU PRO LYS ALA TYR SER THR GLY PHE SEQRES 14 B 201 ILE GLY CYS ILE ARG ASP VAL ILE VAL ASP ARG GLN GLU SEQRES 15 B 201 LEU HIS LEU VAL GLU ASP ALA LEU ASN ASN PRO THR ILE SEQRES 16 B 201 LEU HIS CYS SER ALA LYS FORMUL 3 HOH *75(H2 O) HELIX 1 1 PRO A 162 THR A 167 1 6 HELIX 2 2 HIS A 184 ALA A 189 1 6 HELIX 3 3 PRO B 162 THR B 167 5 6 HELIX 4 4 HIS B 184 ALA B 189 1 6 SHEET 1 A 6 ILE A 15 ASP A 18 0 SHEET 2 A 6 ILE A 170 VAL A 178 -1 O GLY A 171 N PHE A 17 SHEET 3 A 6 SER A 46 LYS A 54 -1 N GLU A 50 O ILE A 177 SHEET 4 A 6 THR A 109 VAL A 116 -1 O ALA A 113 N PHE A 49 SHEET 5 A 6 GLU A 119 VAL A 124 -1 O GLU A 119 N VAL A 116 SHEET 6 A 6 ILE A 130 SER A 133 -1 O ILE A 130 N LEU A 122 SHEET 1 B 3 ILE A 15 ASP A 18 0 SHEET 2 B 3 ILE A 170 VAL A 178 -1 O GLY A 171 N PHE A 17 SHEET 3 B 3 GLN A 181 GLU A 182 -1 O GLN A 181 N VAL A 178 SHEET 1 C 6 MET A 23 TYR A 25 0 SHEET 2 C 6 LEU A 147 LEU A 149 -1 O LEU A 149 N MET A 23 SHEET 3 C 6 GLN A 59 GLY A 66 -1 N TRP A 64 O TRP A 148 SHEET 4 C 6 TYR A 74 VAL A 80 -1 O ILE A 79 N GLY A 60 SHEET 5 C 6 PHE A 83 ASP A 89 -1 O GLN A 85 N ALA A 78 SHEET 6 C 6 VAL A 95 ARG A 98 -1 O LEU A 97 N MET A 86 SHEET 1 D 2 ALA A 43 LEU A 44 0 SHEET 2 D 2 LEU A 141 ASP A 142 -1 O LEU A 141 N LEU A 44 SHEET 1 E 6 ILE B 130 SER B 133 0 SHEET 2 E 6 GLU B 119 LEU B 122 -1 N LEU B 122 O ILE B 130 SHEET 3 E 6 THR B 109 VAL B 116 -1 N TYR B 114 O SER B 121 SHEET 4 E 6 SER B 46 LYS B 54 -1 N PHE B 49 O ALA B 113 SHEET 5 E 6 ILE B 170 VAL B 178 -1 O ILE B 177 N GLU B 50 SHEET 6 E 6 GLN B 181 GLU B 182 -1 O GLN B 181 N VAL B 178 SHEET 1 F 7 ILE B 130 SER B 133 0 SHEET 2 F 7 GLU B 119 LEU B 122 -1 N LEU B 122 O ILE B 130 SHEET 3 F 7 THR B 109 VAL B 116 -1 N TYR B 114 O SER B 121 SHEET 4 F 7 SER B 46 LYS B 54 -1 N PHE B 49 O ALA B 113 SHEET 5 F 7 ILE B 170 VAL B 178 -1 O ILE B 177 N GLU B 50 SHEET 6 F 7 ALA B 14 ASP B 18 -1 N PHE B 17 O GLY B 171 SHEET 7 F 7 HIS B 197 CYS B 198 -1 O CYS B 198 N ALA B 14 SHEET 1 G 6 MET B 23 TYR B 25 0 SHEET 2 G 6 LEU B 147 LEU B 149 -1 O LEU B 147 N TYR B 25 SHEET 3 G 6 GLY B 60 SER B 65 -1 N TRP B 64 O TRP B 148 SHEET 4 G 6 TYR B 74 VAL B 80 -1 O ILE B 79 N GLY B 60 SHEET 5 G 6 PHE B 83 ASP B 89 -1 O MET B 87 N ALA B 76 SHEET 6 G 6 VAL B 95 ARG B 98 -1 O LEU B 97 N MET B 86 SHEET 1 H 2 LYS B 42 LEU B 44 0 SHEET 2 H 2 LEU B 141 THR B 143 -1 O LEU B 141 N LEU B 44 SSBOND *** CYS A 172 CYS A 198 1555 1555 2.04 SSBOND *** CYS B 172 CYS B 198 1555 1555 2.06 CRYST1 102.169 56.751 74.889 90.00 127.04 90.00 C 1 2 1 8 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 0.009788 0.000000 0.007385 0.00000 SCALE2 0.000000 0.017621 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016727 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 85 GLN : amide:sc= 0.466 X(o=1.7,f=2.2) USER MOD Set 1.2: B 165 TYR OH : rot -2:sc= 1.28 USER MOD Set 2.1: B 45 GLN : amide:sc= -1.25 X(o=-1.3,f=-1.3) USER MOD Set 2.2: B 117 GLN :FLIP amide:sc= -0.0397 X(o=-1.3,f=-1.3) USER MOD Set 3.1: B 74 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: B 87 MET CE :methyl 155:sc= -0.855 (180deg=-1.94!) USER MOD Set 4.1: B 52 SER OG : rot 180:sc= 0.0366 USER MOD Set 4.2: B 110 HIS : +bothHN:sc= 0.446 K(o=0.48,f=-2.1!) USER MOD Set 5.1: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 87 MET CE :methyl 178:sc= -0.0137 (180deg=-0.0203) USER MOD Set 6.1: A 85 GLN : amide:sc= -0.045 X(o=0.049,f=0.14) USER MOD Set 6.2: A 165 TYR OH : rot -3:sc= 0.094 USER MOD Set 7.1: A 52 SER OG : rot -52:sc= 0.301 USER MOD Set 7.2: A 110 HIS : no HD1:sc= 0.28 K(o=0.58,f=-1.1) USER MOD Set 8.1: A 45 GLN :FLIP amide:sc= -0.307 F(o=-2.3,f=-0.53) USER MOD Set 8.2: A 117 GLN :FLIP amide:sc= -0.222 F(o=-2.6!,f=-0.53) USER MOD Single : A 21 THR OG1 : rot 80:sc= 0.0428 USER MOD Single : A 22 TYR OH : rot -164:sc= 0.211 USER MOD Single : A 23 MET CE :methyl 152:sc=-0.000471 (180deg=-0.264) USER MOD Single : A 25 TYR OH : rot -127:sc= -1.42! USER MOD Single : A 26 HIS :FLIP no HD1:sc= -3.05! C(o=-4.3!,f=-3!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.288 F(o=-2.2!,f=-0.29) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.141 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 42 LYS NZ :NH3+ 137:sc= 0.155 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= 0.598 F(o=-8.1!,f=0.6) USER MOD Single : A 48 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.44) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 102:sc= 0.975 USER MOD Single : A 58 THR OG1 : rot 100:sc= -0.335 USER MOD Single : A 59 GLN :FLIP amide:sc= -2.76 F(o=-4.2!,f=-2.8) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.026) USER MOD Single : A 72 SER OG : rot -80:sc= -2.2! USER MOD Single : A 86 MET CE :methyl 160:sc= -1.42 (180deg=-2.14!) USER MOD Single : A 88 TYR OH : rot 2:sc= 0.173 USER MOD Single : A 92 SER OG : rot -90:sc= -0.207 USER MOD Single : A 93 LYS NZ :NH3+ 155:sc= -0.0827 (180deg=-0.605) USER MOD Single : A 99 SER OG : rot 87:sc= 1.42 USER MOD Single : A 100 THR OG1 : rot -53:sc= 0.722 USER MOD Single : A 104 ASN : amide:sc= -1.34! C(o=-1.3!,f=-3!) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.403 USER MOD Single : A 106 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.9) USER MOD Single : A 107 HIS : no HD1:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 109 THR OG1 : rot 57:sc= 0.299 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot -135:sc= 0.974 USER MOD Single : A 123 GLN :FLIP amide:sc= -3.49! C(o=-4.9!,f=-3.5!) USER MOD Single : A 126 ASN : amide:sc=-0.00726 X(o=-0.0073,f=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= -0.431 USER MOD Single : A 134 SER OG : rot 130:sc= -0.0513 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 GLN :FLIP amide:sc= -0.419 F(o=-3.5!,f=-0.42) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 152 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot 180:sc= -0.131 USER MOD Single : A 159 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.111) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 181 GLN : amide:sc= -0.86 K(o=-0.86,f=-4.7!) USER MOD Single : A 184 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 191 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.4) USER MOD Single : A 192 ASN : amide:sc= -1.46 K(o=-1.5,f=-4.5!) USER MOD Single : A 194 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 HIS :FLIP no HD1:sc= 0.34 F(o=-1.4,f=0.34) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : B 21 THR OG1 : rot 64:sc= 1.23 USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 MET CE :methyl -165:sc= -3.98! (180deg=-4.65!) USER MOD Single : B 25 TYR OH : rot 39:sc= -0.889! USER MOD Single : B 26 HIS : no HD1:sc= 0.0957 K(o=0.096,f=-1.4) USER MOD Single : B 27 ASN :FLIP amide:sc= -1.38 F(o=-5.6!,f=-1.4) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= -0.219 USER MOD Single : B 33 HIS :FLIP no HD1:sc= -4.47! C(o=-5.1!,f=-4.5!) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 47 ASN :FLIP amide:sc= -2.74! C(o=-12!,f=-2.7!) USER MOD Single : B 48 HIS : no HD1:sc= -4.63 K(o=-4.6,f=-7.4!) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 THR OG1 : rot 96:sc= 1.65 USER MOD Single : B 58 THR OG1 : rot 180:sc=-0.00707 USER MOD Single : B 59 GLN :FLIP amide:sc= -1.7 F(o=-4.3!,f=-1.7) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot -110:sc= -0.26 USER MOD Single : B 86 MET CE :methyl 161:sc= -0.834 (180deg=-1.98) USER MOD Single : B 88 TYR OH : rot 2:sc= 0.314 USER MOD Single : B 92 SER OG : rot -130:sc= 0.288 USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 99 SER OG : rot 180:sc= 0 USER MOD Single : B 100 THR OG1 : rot -59:sc= 0.066 USER MOD Single : B 104 ASN : amide:sc= 1.05 K(o=1,f=-3.7!) USER MOD Single : B 105 THR OG1 : rot 180:sc=-0.000411 USER MOD Single : B 106 ASN : amide:sc= -0.675 K(o=-0.67,f=-2.1) USER MOD Single : B 107 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.28) USER MOD Single : B 109 THR OG1 : rot 47:sc= 0.303 USER MOD Single : B 112 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.000208) USER MOD Single : B 114 TYR OH : rot 180:sc= 0 USER MOD Single : B 121 SER OG : rot -139:sc= 1.23 USER MOD Single : B 123 GLN :FLIP amide:sc=-0.00237 F(o=-0.99,f=-0.0024) USER MOD Single : B 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 131 THR OG1 : rot 180:sc= 0 USER MOD Single : B 133 SER OG : rot -47:sc= -1.12! USER MOD Single : B 134 SER OG : rot 140:sc= 0 USER MOD Single : B 139 THR OG1 : rot 180:sc= 0 USER MOD Single : B 140 GLN : amide:sc= -3.08! C(o=-3.1!,f=-7.9!) USER MOD Single : B 143 THR OG1 : rot 180:sc= 0.365 USER MOD Single : B 152 MET CE :methyl 146:sc= -2.27 (180deg=-4.91!) USER MOD Single : B 156 SER OG : rot -21:sc= 1.07 USER MOD Single : B 159 HIS : no HD1:sc= -1.02 K(o=-1,f=-3.2!) USER MOD Single : B 160 LYS NZ :NH3+ 132:sc= -0.658 (180deg=-1.38) USER MOD Single : B 163 LYS NZ :NH3+ -155:sc= -0.0464 (180deg=-0.441) USER MOD Single : B 166 SER OG : rot -41:sc= 0.102 USER MOD Single : B 167 THR OG1 : rot 87:sc= 0.4 USER MOD Single : B 181 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : B 184 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : B 191 ASN : amide:sc= -5.85! C(o=-5.9!,f=-9.7!) USER MOD Single : B 192 ASN :FLIP amide:sc= -0.617 F(o=-2.2!,f=-0.62) USER MOD Single : B 194 THR OG1 : rot 180:sc= 0 USER MOD Single : B 197 HIS : no HD1:sc= -0.0818 K(o=-0.082,f=-0.69) USER MOD Single : B 199 SER OG : rot 180:sc= 0 USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 18.146 18.384 -20.363 1.00 51.13 N ATOM 2 CA GLY A 10 19.265 19.378 -20.311 1.00 51.19 C ATOM 3 C GLY A 10 19.472 19.851 -18.889 1.00 51.40 C ATOM 4 O GLY A 10 18.518 19.835 -18.089 1.00 52.56 O ATOM 0 HA2 GLY A 10 20.081 18.976 -20.648 1.00 51.19 H new ATOM 0 HA3 GLY A 10 19.063 20.134 -20.885 1.00 51.19 H new ATOM 5 N ASP A 11 20.709 20.223 -18.553 1.00 50.79 N ATOM 6 CA ASP A 11 21.040 20.781 -17.238 1.00 50.34 C ATOM 7 C ASP A 11 21.170 19.697 -16.170 1.00 49.34 C ATOM 8 O ASP A 11 22.061 18.818 -16.256 1.00 51.24 O ATOM 9 CB ASP A 11 20.029 21.836 -16.792 1.00 50.61 C ATOM 10 CG ASP A 11 20.595 23.228 -16.814 1.00 53.11 C ATOM 11 OD1 ASP A 11 20.104 24.089 -16.013 1.00 54.27 O ATOM 12 OD2 ASP A 11 21.530 23.546 -17.601 1.00 57.00 O ATOM 0 H ASP A 11 21.383 20.159 -19.083 1.00 50.79 H new ATOM 0 HA ASP A 11 21.903 21.211 -17.340 1.00 50.34 H new ATOM 0 HB2 ASP A 11 19.251 21.798 -17.370 1.00 50.61 H new ATOM 0 HB3 ASP A 11 19.725 21.629 -15.894 1.00 50.61 H new ATOM 13 N ALA A 12 20.324 19.763 -15.148 1.00 46.63 N ATOM 14 CA ALA A 12 20.375 18.798 -14.079 1.00 44.46 C ATOM 15 C ALA A 12 20.046 17.451 -14.674 1.00 42.70 C ATOM 16 O ALA A 12 18.987 17.267 -15.274 1.00 42.43 O ATOM 17 CB ALA A 12 19.401 19.166 -13.037 1.00 44.70 C ATOM 0 H ALA A 12 19.714 20.363 -15.062 1.00 46.63 H new ATOM 0 HA ALA A 12 21.253 18.772 -13.667 1.00 44.46 H new ATOM 0 HB1 ALA A 12 19.435 18.516 -12.318 1.00 44.70 H new ATOM 0 HB2 ALA A 12 19.616 20.045 -12.689 1.00 44.70 H new ATOM 0 HB3 ALA A 12 18.509 19.179 -13.418 1.00 44.70 H new ATOM 18 N GLU A 13 20.981 16.522 -14.535 1.00 40.58 N ATOM 19 CA GLU A 13 20.822 15.176 -15.060 1.00 39.22 C ATOM 20 C GLU A 13 20.103 14.315 -14.053 1.00 37.82 C ATOM 21 O GLU A 13 20.724 13.744 -13.184 1.00 37.87 O ATOM 22 CB GLU A 13 22.196 14.569 -15.355 1.00 39.37 C ATOM 23 CG GLU A 13 22.147 13.158 -15.902 1.00 39.55 C ATOM 24 CD GLU A 13 23.505 12.656 -16.298 1.00 40.31 C ATOM 25 OE1 GLU A 13 23.606 11.498 -16.776 1.00 40.25 O ATOM 26 OE2 GLU A 13 24.464 13.436 -16.131 1.00 41.65 O ATOM 0 H GLU A 13 21.729 16.656 -14.132 1.00 40.58 H new ATOM 0 HA GLU A 13 20.303 15.217 -15.879 1.00 39.22 H new ATOM 0 HB2 GLU A 13 22.659 15.136 -15.992 1.00 39.37 H new ATOM 0 HB3 GLU A 13 22.721 14.571 -14.539 1.00 39.37 H new ATOM 0 HG2 GLU A 13 21.768 12.567 -15.233 1.00 39.55 H new ATOM 0 HG3 GLU A 13 21.557 13.131 -16.672 1.00 39.55 H new ATOM 27 N ALA A 14 18.786 14.236 -14.151 1.00 36.39 N ATOM 28 CA ALA A 14 18.015 13.440 -13.211 1.00 34.89 C ATOM 29 C ALA A 14 17.889 12.042 -13.719 1.00 33.43 C ATOM 30 O ALA A 14 17.577 11.856 -14.879 1.00 33.14 O ATOM 31 CB ALA A 14 16.648 14.036 -13.025 1.00 34.78 C ATOM 0 H ALA A 14 18.319 14.635 -14.753 1.00 36.39 H new ATOM 0 HA ALA A 14 18.474 13.432 -12.356 1.00 34.89 H new ATOM 0 HB1 ALA A 14 16.143 13.497 -12.396 1.00 34.78 H new ATOM 0 HB2 ALA A 14 16.733 14.939 -12.681 1.00 34.78 H new ATOM 0 HB3 ALA A 14 16.185 14.057 -13.877 1.00 34.78 H new ATOM 32 N ILE A 15 18.116 11.067 -12.843 1.00 32.02 N ATOM 33 CA ILE A 15 17.958 9.671 -13.207 1.00 31.30 C ATOM 34 C ILE A 15 16.608 9.163 -12.664 1.00 30.52 C ATOM 35 O ILE A 15 16.091 9.649 -11.654 1.00 30.63 O ATOM 36 CB ILE A 15 19.103 8.829 -12.662 1.00 31.44 C ATOM 37 CG1 ILE A 15 20.466 9.539 -12.829 1.00 32.42 C ATOM 38 CG2 ILE A 15 19.131 7.498 -13.364 1.00 32.27 C ATOM 39 CD1 ILE A 15 20.934 9.732 -14.242 1.00 32.66 C ATOM 0 H ILE A 15 18.363 11.198 -12.030 1.00 32.02 H new ATOM 0 HA ILE A 15 17.973 9.591 -14.174 1.00 31.30 H new ATOM 0 HB ILE A 15 18.952 8.699 -11.713 1.00 31.44 H new ATOM 0 HG12 ILE A 15 20.413 10.408 -12.402 1.00 32.42 H new ATOM 0 HG13 ILE A 15 21.138 9.029 -12.351 1.00 32.42 H new ATOM 0 HG21 ILE A 15 19.861 6.963 -13.015 1.00 32.27 H new ATOM 0 HG22 ILE A 15 18.292 7.035 -13.214 1.00 32.27 H new ATOM 0 HG23 ILE A 15 19.258 7.636 -14.316 1.00 32.27 H new ATOM 0 HD11 ILE A 15 21.793 10.183 -14.240 1.00 32.66 H new ATOM 0 HD12 ILE A 15 21.024 8.868 -14.674 1.00 32.66 H new ATOM 0 HD13 ILE A 15 20.288 10.269 -14.727 1.00 32.66 H new ATOM 40 N ALA A 16 16.008 8.205 -13.352 1.00 29.12 N ATOM 41 CA ALA A 16 14.726 7.680 -12.914 1.00 27.83 C ATOM 42 C ALA A 16 14.842 6.307 -12.253 1.00 26.62 C ATOM 43 O ALA A 16 15.782 5.552 -12.516 1.00 26.57 O ATOM 44 CB ALA A 16 13.778 7.617 -14.083 1.00 27.99 C ATOM 0 H ALA A 16 16.322 7.848 -14.068 1.00 29.12 H new ATOM 0 HA ALA A 16 14.382 8.286 -12.239 1.00 27.83 H new ATOM 0 HB1 ALA A 16 12.923 7.266 -13.788 1.00 27.99 H new ATOM 0 HB2 ALA A 16 13.653 8.507 -14.447 1.00 27.99 H new ATOM 0 HB3 ALA A 16 14.146 7.037 -14.768 1.00 27.99 H new ATOM 45 N PHE A 17 13.861 5.986 -11.415 1.00 24.93 N ATOM 46 CA PHE A 17 13.865 4.750 -10.668 1.00 23.96 C ATOM 47 C PHE A 17 12.551 4.044 -10.869 1.00 23.91 C ATOM 48 O PHE A 17 11.522 4.590 -10.510 1.00 24.01 O ATOM 49 CB PHE A 17 14.100 5.052 -9.190 1.00 23.59 C ATOM 50 CG PHE A 17 15.482 5.514 -8.909 1.00 21.66 C ATOM 51 CD1 PHE A 17 16.526 4.619 -8.923 1.00 19.57 C ATOM 52 CD2 PHE A 17 15.745 6.853 -8.686 1.00 21.51 C ATOM 53 CE1 PHE A 17 17.821 5.037 -8.688 1.00 21.62 C ATOM 54 CE2 PHE A 17 17.037 7.287 -8.454 1.00 22.92 C ATOM 55 CZ PHE A 17 18.089 6.379 -8.462 1.00 22.34 C ATOM 0 H PHE A 17 13.176 6.485 -11.268 1.00 24.93 H new ATOM 0 HA PHE A 17 14.578 4.172 -10.982 1.00 23.96 H new ATOM 0 HB2 PHE A 17 13.471 5.731 -8.899 1.00 23.59 H new ATOM 0 HB3 PHE A 17 13.918 4.255 -8.668 1.00 23.59 H new ATOM 0 HD1 PHE A 17 16.358 3.720 -9.093 1.00 19.57 H new ATOM 0 HD2 PHE A 17 15.047 7.467 -8.692 1.00 21.51 H new ATOM 0 HE1 PHE A 17 18.515 4.418 -8.681 1.00 21.62 H new ATOM 0 HE2 PHE A 17 17.202 8.188 -8.292 1.00 22.92 H new ATOM 0 HZ PHE A 17 18.961 6.667 -8.318 1.00 22.34 H new ATOM 56 N ASP A 18 12.591 2.835 -11.438 1.00 23.90 N ATOM 57 CA ASP A 18 11.384 2.074 -11.781 1.00 24.12 C ATOM 58 C ASP A 18 10.859 1.073 -10.745 1.00 24.12 C ATOM 59 O ASP A 18 9.781 0.540 -10.919 1.00 23.70 O ATOM 60 CB ASP A 18 11.597 1.343 -13.100 1.00 24.33 C ATOM 61 CG ASP A 18 12.539 0.169 -12.977 1.00 25.39 C ATOM 62 OD1 ASP A 18 12.880 -0.438 -14.017 1.00 27.01 O ATOM 63 OD2 ASP A 18 12.992 -0.228 -11.890 1.00 27.83 O ATOM 0 H ASP A 18 13.324 2.431 -11.637 1.00 23.90 H new ATOM 0 HA ASP A 18 10.696 2.756 -11.829 1.00 24.12 H new ATOM 0 HB2 ASP A 18 10.741 1.031 -13.433 1.00 24.33 H new ATOM 0 HB3 ASP A 18 11.947 1.965 -13.756 1.00 24.33 H new ATOM 64 N GLY A 19 11.623 0.809 -9.691 1.00 24.79 N ATOM 65 CA GLY A 19 11.213 -0.106 -8.636 1.00 25.18 C ATOM 66 C GLY A 19 12.063 -1.364 -8.547 1.00 25.67 C ATOM 67 O GLY A 19 11.766 -2.273 -7.771 1.00 25.64 O ATOM 0 H GLY A 19 12.399 1.159 -9.568 1.00 24.79 H new ATOM 0 HA2 GLY A 19 11.248 0.359 -7.785 1.00 25.18 H new ATOM 0 HA3 GLY A 19 10.288 -0.361 -8.782 1.00 25.18 H new ATOM 68 N ARG A 20 13.115 -1.413 -9.350 1.00 26.50 N ATOM 69 CA ARG A 20 14.045 -2.531 -9.376 1.00 27.58 C ATOM 70 C ARG A 20 15.424 -1.975 -9.647 1.00 27.87 C ATOM 71 O ARG A 20 16.356 -2.709 -9.977 1.00 28.01 O ATOM 72 CB ARG A 20 13.686 -3.511 -10.482 1.00 27.74 C ATOM 73 CG ARG A 20 12.931 -4.741 -10.038 1.00 30.22 C ATOM 74 CD ARG A 20 12.776 -5.736 -11.162 1.00 33.34 C ATOM 75 NE ARG A 20 12.492 -5.015 -12.407 1.00 35.92 N ATOM 76 CZ ARG A 20 13.312 -4.919 -13.454 1.00 37.74 C ATOM 77 NH1 ARG A 20 14.509 -5.507 -13.448 1.00 38.62 N ATOM 78 NH2 ARG A 20 12.926 -4.228 -14.521 1.00 38.26 N ATOM 0 H ARG A 20 13.312 -0.787 -9.905 1.00 26.50 H new ATOM 0 HA ARG A 20 14.010 -3.001 -8.528 1.00 27.58 H new ATOM 0 HB2 ARG A 20 13.153 -3.045 -11.146 1.00 27.74 H new ATOM 0 HB3 ARG A 20 14.504 -3.793 -10.921 1.00 27.74 H new ATOM 0 HG2 ARG A 20 13.399 -5.159 -9.298 1.00 30.22 H new ATOM 0 HG3 ARG A 20 12.055 -4.483 -9.711 1.00 30.22 H new ATOM 0 HD2 ARG A 20 13.586 -6.262 -11.257 1.00 33.34 H new ATOM 0 HD3 ARG A 20 12.057 -6.356 -10.963 1.00 33.34 H new ATOM 0 HE ARG A 20 11.731 -4.620 -12.467 1.00 35.92 H new ATOM 0 HH11 ARG A 20 14.763 -5.957 -12.761 1.00 38.62 H new ATOM 0 HH12 ARG A 20 15.026 -5.436 -14.131 1.00 38.62 H new ATOM 0 HH21 ARG A 20 12.154 -3.848 -14.531 1.00 38.26 H new ATOM 0 HH22 ARG A 20 13.448 -4.160 -15.201 1.00 38.26 H new ATOM 79 N THR A 21 15.542 -0.663 -9.501 1.00 28.21 N ATOM 80 CA THR A 21 16.775 0.030 -9.752 1.00 28.28 C ATOM 81 C THR A 21 17.284 0.596 -8.467 1.00 28.19 C ATOM 82 O THR A 21 16.583 1.312 -7.796 1.00 28.50 O ATOM 83 CB THR A 21 16.493 1.160 -10.710 1.00 28.48 C ATOM 84 OG1 THR A 21 16.053 0.614 -11.962 1.00 28.72 O ATOM 85 CG2 THR A 21 17.772 1.947 -11.015 1.00 29.31 C ATOM 0 H THR A 21 14.897 -0.152 -9.251 1.00 28.21 H new ATOM 0 HA THR A 21 17.435 -0.575 -10.126 1.00 28.28 H new ATOM 0 HB THR A 21 15.826 1.735 -10.303 1.00 28.48 H new ATOM 0 HG1 THR A 21 15.242 0.402 -11.906 1.00 28.72 H new ATOM 0 HG21 THR A 21 17.569 2.668 -11.632 1.00 29.31 H new ATOM 0 HG22 THR A 21 18.129 2.317 -10.192 1.00 29.31 H new ATOM 0 HG23 THR A 21 18.429 1.355 -11.414 1.00 29.31 H new ATOM 86 N TYR A 22 18.516 0.272 -8.129 1.00 28.69 N ATOM 87 CA TYR A 22 19.153 0.775 -6.926 1.00 28.83 C ATOM 88 C TYR A 22 20.652 0.829 -7.208 1.00 28.68 C ATOM 89 O TYR A 22 21.214 -0.112 -7.758 1.00 28.57 O ATOM 90 CB TYR A 22 18.826 -0.118 -5.724 1.00 29.01 C ATOM 91 CG TYR A 22 19.557 -1.435 -5.694 1.00 30.52 C ATOM 92 CD1 TYR A 22 18.925 -2.620 -6.069 1.00 31.32 C ATOM 93 CD2 TYR A 22 20.900 -1.502 -5.287 1.00 32.83 C ATOM 94 CE1 TYR A 22 19.622 -3.845 -6.046 1.00 32.45 C ATOM 95 CE2 TYR A 22 21.599 -2.720 -5.267 1.00 32.50 C ATOM 96 CZ TYR A 22 20.952 -3.880 -5.648 1.00 31.90 C ATOM 97 OH TYR A 22 21.614 -5.069 -5.624 1.00 29.66 O ATOM 0 H TYR A 22 19.014 -0.252 -8.595 1.00 28.69 H new ATOM 0 HA TYR A 22 18.827 1.660 -6.699 1.00 28.83 H new ATOM 0 HB2 TYR A 22 19.031 0.369 -4.911 1.00 29.01 H new ATOM 0 HB3 TYR A 22 17.872 -0.292 -5.717 1.00 29.01 H new ATOM 0 HD1 TYR A 22 18.035 -2.602 -6.337 1.00 31.32 H new ATOM 0 HD2 TYR A 22 21.336 -0.723 -5.025 1.00 32.83 H new ATOM 0 HE1 TYR A 22 19.191 -4.630 -6.297 1.00 32.45 H new ATOM 0 HE2 TYR A 22 22.489 -2.746 -5.000 1.00 32.50 H new ATOM 0 HH TYR A 22 22.316 -4.990 -5.170 1.00 29.66 H new ATOM 98 N MET A 23 21.273 1.952 -6.873 1.00 28.99 N ATOM 99 CA MET A 23 22.687 2.181 -7.100 1.00 29.17 C ATOM 100 C MET A 23 23.478 2.123 -5.807 1.00 29.39 C ATOM 101 O MET A 23 23.030 2.629 -4.792 1.00 28.97 O ATOM 102 CB MET A 23 22.903 3.554 -7.727 1.00 29.30 C ATOM 103 CG MET A 23 22.790 3.592 -9.241 1.00 30.42 C ATOM 104 SD MET A 23 21.175 4.117 -9.840 1.00 32.18 S ATOM 105 CE MET A 23 21.670 5.122 -11.201 1.00 32.19 C ATOM 0 H MET A 23 20.873 2.615 -6.499 1.00 28.99 H new ATOM 0 HA MET A 23 22.997 1.480 -7.695 1.00 29.17 H new ATOM 0 HB2 MET A 23 22.256 4.172 -7.352 1.00 29.30 H new ATOM 0 HB3 MET A 23 23.782 3.876 -7.473 1.00 29.30 H new ATOM 0 HG2 MET A 23 23.466 4.193 -9.592 1.00 30.42 H new ATOM 0 HG3 MET A 23 22.984 2.709 -9.593 1.00 30.42 H new ATOM 0 HE1 MET A 23 20.971 5.123 -11.874 1.00 32.19 H new ATOM 0 HE2 MET A 23 21.824 6.029 -10.894 1.00 32.19 H new ATOM 0 HE3 MET A 23 22.487 4.767 -11.585 1.00 32.19 H new ATOM 106 N GLU A 24 24.657 1.490 -5.857 1.00 30.07 N ATOM 107 CA GLU A 24 25.547 1.410 -4.707 1.00 30.24 C ATOM 108 C GLU A 24 26.687 2.355 -4.927 1.00 30.27 C ATOM 109 O GLU A 24 27.279 2.345 -5.987 1.00 29.92 O ATOM 110 CB GLU A 24 26.132 0.017 -4.507 1.00 30.25 C ATOM 111 CG GLU A 24 27.011 -0.027 -3.254 1.00 31.55 C ATOM 112 CD GLU A 24 28.143 -1.054 -3.280 1.00 32.11 C ATOM 113 OE1 GLU A 24 29.039 -0.963 -2.405 1.00 31.58 O ATOM 114 OE2 GLU A 24 28.153 -1.937 -4.163 1.00 32.62 O ATOM 0 H GLU A 24 24.957 1.097 -6.561 1.00 30.07 H new ATOM 0 HA GLU A 24 25.025 1.633 -3.920 1.00 30.24 H new ATOM 0 HB2 GLU A 24 25.415 -0.631 -4.427 1.00 30.25 H new ATOM 0 HB3 GLU A 24 26.656 -0.233 -5.284 1.00 30.25 H new ATOM 0 HG2 GLU A 24 27.396 0.853 -3.117 1.00 31.55 H new ATOM 0 HG3 GLU A 24 26.446 -0.211 -2.488 1.00 31.55 H new ATOM 115 N TYR A 25 26.970 3.184 -3.930 1.00 31.05 N ATOM 116 CA TYR A 25 28.071 4.124 -3.996 1.00 31.53 C ATOM 117 C TYR A 25 28.951 3.862 -2.821 1.00 34.09 C ATOM 118 O TYR A 25 28.517 3.296 -1.840 1.00 33.26 O ATOM 119 CB TYR A 25 27.577 5.569 -3.970 1.00 30.39 C ATOM 120 CG TYR A 25 26.656 5.902 -5.122 1.00 26.66 C ATOM 121 CD1 TYR A 25 25.333 5.514 -5.124 1.00 22.22 C ATOM 122 CD2 TYR A 25 27.116 6.595 -6.215 1.00 24.17 C ATOM 123 CE1 TYR A 25 24.521 5.807 -6.179 1.00 20.87 C ATOM 124 CE2 TYR A 25 26.292 6.898 -7.281 1.00 22.24 C ATOM 125 CZ TYR A 25 25.003 6.502 -7.262 1.00 19.74 C ATOM 126 OH TYR A 25 24.194 6.815 -8.334 1.00 17.25 O ATOM 0 H TYR A 25 26.525 3.215 -3.195 1.00 31.05 H new ATOM 0 HA TYR A 25 28.554 4.005 -4.829 1.00 31.53 H new ATOM 0 HB2 TYR A 25 27.112 5.731 -3.134 1.00 30.39 H new ATOM 0 HB3 TYR A 25 28.341 6.167 -3.990 1.00 30.39 H new ATOM 0 HD1 TYR A 25 24.990 5.047 -4.397 1.00 22.22 H new ATOM 0 HD2 TYR A 25 28.005 6.867 -6.238 1.00 24.17 H new ATOM 0 HE1 TYR A 25 23.632 5.534 -6.166 1.00 20.87 H new ATOM 0 HE2 TYR A 25 26.624 7.373 -8.008 1.00 22.24 H new ATOM 0 HH TYR A 25 24.558 6.555 -9.045 1.00 17.25 H new ATOM 127 N HIS A 26 30.211 4.258 -2.935 1.00 38.12 N ATOM 128 CA HIS A 26 31.148 4.046 -1.854 1.00 41.24 C ATOM 129 C HIS A 26 31.321 5.258 -0.980 1.00 43.55 C ATOM 130 O HIS A 26 31.018 5.212 0.201 1.00 44.05 O ATOM 131 CB HIS A 26 32.494 3.627 -2.352 1.00 41.41 C ATOM 132 CG HIS A 26 33.412 3.275 -1.241 1.00 44.59 C ATOM 133 ND1 HIS A 26 33.890 2.080 -0.821 1.00 47.93 N flip ATOM 134 CD2 HIS A 26 33.905 4.218 -0.365 1.00 48.02 C flip ATOM 135 CE1 HIS A 26 34.687 2.325 0.272 1.00 49.24 C flip ATOM 136 NE2 HIS A 26 34.671 3.622 0.532 1.00 49.73 N flip ATOM 0 H HIS A 26 30.538 4.649 -3.628 1.00 38.12 H new ATOM 0 HA HIS A 26 30.758 3.333 -1.324 1.00 41.24 H new ATOM 0 HB2 HIS A 26 32.396 2.865 -2.944 1.00 41.41 H new ATOM 0 HB3 HIS A 26 32.882 4.345 -2.876 1.00 41.41 H new ATOM 0 HD2 HIS A 26 33.727 5.130 -0.400 1.00 48.02 H new ATOM 0 HE1 HIS A 26 35.160 1.683 0.751 1.00 49.24 H new ATOM 0 HE2 HIS A 26 35.088 4.011 1.175 1.00 49.73 H new ATOM 137 N ASN A 27 31.808 6.349 -1.545 1.00 46.64 N ATOM 138 CA ASN A 27 31.990 7.562 -0.760 1.00 49.07 C ATOM 139 C ASN A 27 32.963 7.372 0.387 1.00 51.52 C ATOM 140 O ASN A 27 32.636 6.717 1.371 1.00 51.61 O ATOM 141 CB ASN A 27 30.651 8.029 -0.195 1.00 48.97 C ATOM 142 CG ASN A 27 29.764 8.604 -1.255 1.00 48.99 C ATOM 143 OD1 ASN A 27 30.244 8.579 -2.495 1.00 49.80 O flip ATOM 144 ND2 ASN A 27 28.661 9.075 -0.977 1.00 48.45 N flip ATOM 0 H ASN A 27 32.038 6.411 -2.371 1.00 46.64 H new ATOM 0 HA ASN A 27 32.358 8.229 -1.361 1.00 49.07 H new ATOM 0 HB2 ASN A 27 30.202 7.282 0.231 1.00 48.97 H new ATOM 0 HB3 ASN A 27 30.806 8.696 0.492 1.00 48.97 H new ATOM 0 HD21 ASN A 27 28.385 9.073 -0.162 1.00 48.45 H new ATOM 0 HD22 ASN A 27 28.166 9.406 -1.597 1.00 48.45 H new ATOM 145 N ALA A 28 34.146 7.959 0.266 1.00 54.58 N ATOM 146 CA ALA A 28 35.144 7.879 1.322 1.00 57.41 C ATOM 147 C ALA A 28 36.164 6.760 1.117 1.00 60.06 C ATOM 148 O ALA A 28 36.093 5.718 1.779 1.00 60.14 O ATOM 149 CB ALA A 28 34.476 7.729 2.687 1.00 57.54 C ATOM 0 H ALA A 28 34.391 8.411 -0.423 1.00 54.58 H new ATOM 0 HA ALA A 28 35.635 8.715 1.285 1.00 57.41 H new ATOM 0 HB1 ALA A 28 35.156 7.677 3.376 1.00 57.54 H new ATOM 0 HB2 ALA A 28 33.905 8.495 2.854 1.00 57.54 H new ATOM 0 HB3 ALA A 28 33.942 6.919 2.699 1.00 57.54 H new ATOM 150 N VAL A 29 37.124 7.013 0.225 1.00 63.16 N ATOM 151 CA VAL A 29 38.220 6.090 -0.067 1.00 65.59 C ATOM 152 C VAL A 29 39.032 6.610 -1.249 1.00 67.78 C ATOM 153 O VAL A 29 38.461 7.021 -2.260 1.00 67.88 O ATOM 154 CB VAL A 29 37.715 4.646 -0.344 1.00 65.76 C ATOM 155 CG1 VAL A 29 38.384 4.039 -1.580 1.00 65.87 C ATOM 156 CG2 VAL A 29 37.942 3.758 0.892 1.00 65.86 C ATOM 0 H VAL A 29 37.156 7.739 -0.235 1.00 63.16 H new ATOM 0 HA VAL A 29 38.786 6.045 0.720 1.00 65.59 H new ATOM 0 HB VAL A 29 36.763 4.693 -0.526 1.00 65.76 H new ATOM 0 HG11 VAL A 29 38.047 3.141 -1.723 1.00 65.87 H new ATOM 0 HG12 VAL A 29 38.186 4.585 -2.357 1.00 65.87 H new ATOM 0 HG13 VAL A 29 39.344 4.006 -1.445 1.00 65.87 H new ATOM 0 HG21 VAL A 29 37.624 2.860 0.709 1.00 65.86 H new ATOM 0 HG22 VAL A 29 38.889 3.729 1.100 1.00 65.86 H new ATOM 0 HG23 VAL A 29 37.457 4.125 1.648 1.00 65.86 H new ATOM 157 N THR A 30 40.361 6.611 -1.104 1.00 70.60 N ATOM 158 CA THR A 30 41.261 7.057 -2.175 1.00 72.80 C ATOM 159 C THR A 30 40.753 6.565 -3.520 1.00 74.55 C ATOM 160 O THR A 30 40.597 5.362 -3.737 1.00 74.66 O ATOM 161 CB THR A 30 42.706 6.516 -1.976 1.00 73.01 C ATOM 162 OG1 THR A 30 43.379 7.226 -0.924 1.00 73.59 O ATOM 163 CG2 THR A 30 43.575 6.792 -3.216 1.00 73.27 C ATOM 0 H THR A 30 40.764 6.355 -0.388 1.00 70.60 H new ATOM 0 HA THR A 30 41.279 8.026 -2.147 1.00 72.80 H new ATOM 0 HB THR A 30 42.609 5.569 -1.789 1.00 73.01 H new ATOM 0 HG1 THR A 30 44.155 6.919 -0.831 1.00 73.59 H new ATOM 0 HG21 THR A 30 44.469 6.446 -3.068 1.00 73.27 H new ATOM 0 HG22 THR A 30 43.184 6.356 -3.989 1.00 73.27 H new ATOM 0 HG23 THR A 30 43.620 7.748 -3.373 1.00 73.27 H new ATOM 164 N LYS A 31 40.511 7.489 -4.435 1.00 76.81 N ATOM 165 CA LYS A 31 39.997 7.099 -5.746 1.00 78.59 C ATOM 166 C LYS A 31 40.564 7.968 -6.850 1.00 79.44 C ATOM 167 O LYS A 31 40.459 7.596 -8.021 1.00 79.74 O ATOM 168 CB LYS A 31 38.455 7.169 -5.771 1.00 79.05 C ATOM 169 CG LYS A 31 37.793 6.143 -6.687 1.00 80.75 C ATOM 170 CD LYS A 31 38.175 4.690 -6.298 1.00 82.66 C ATOM 171 CE LYS A 31 37.627 3.655 -7.308 1.00 83.32 C ATOM 172 NZ LYS A 31 38.243 2.283 -7.181 1.00 82.98 N ATOM 0 H LYS A 31 40.633 8.333 -4.325 1.00 76.81 H new ATOM 0 HA LYS A 31 40.279 6.184 -5.903 1.00 78.59 H new ATOM 0 HB2 LYS A 31 38.122 7.044 -4.869 1.00 79.05 H new ATOM 0 HB3 LYS A 31 38.187 8.058 -6.052 1.00 79.05 H new ATOM 0 HG2 LYS A 31 36.829 6.246 -6.645 1.00 80.75 H new ATOM 0 HG3 LYS A 31 38.056 6.312 -7.605 1.00 80.75 H new ATOM 0 HD2 LYS A 31 39.141 4.613 -6.249 1.00 82.66 H new ATOM 0 HD3 LYS A 31 37.829 4.492 -5.414 1.00 82.66 H new ATOM 0 HE2 LYS A 31 36.667 3.580 -7.191 1.00 83.32 H new ATOM 0 HE3 LYS A 31 37.778 3.984 -8.208 1.00 83.32 H new ATOM 0 HZ1 LYS A 31 37.885 1.739 -7.788 1.00 82.98 H new ATOM 0 HZ2 LYS A 31 39.121 2.338 -7.314 1.00 82.98 H new ATOM 0 HZ3 LYS A 31 38.086 1.961 -6.366 1.00 82.98 H new ATOM 173 N SER A 32 41.147 9.114 -6.469 1.00 80.32 N ATOM 174 CA SER A 32 41.739 10.073 -7.408 1.00 80.78 C ATOM 175 C SER A 32 42.050 11.420 -6.720 1.00 81.66 C ATOM 176 O SER A 32 43.179 11.665 -6.252 1.00 81.88 O ATOM 177 CB SER A 32 40.797 10.293 -8.588 1.00 80.55 C ATOM 178 OG SER A 32 39.464 10.442 -8.134 1.00 79.73 O ATOM 0 H SER A 32 41.209 9.357 -5.646 1.00 80.32 H new ATOM 0 HA SER A 32 42.577 9.702 -7.727 1.00 80.78 H new ATOM 0 HB2 SER A 32 41.067 11.083 -9.082 1.00 80.55 H new ATOM 0 HB3 SER A 32 40.855 9.542 -9.200 1.00 80.55 H new ATOM 0 HG SER A 32 38.956 10.564 -8.792 1.00 79.73 H new ATOM 179 N HIS A 33 41.040 12.287 -6.659 1.00 82.37 N ATOM 180 CA HIS A 33 41.193 13.616 -6.076 1.00 82.97 C ATOM 181 C HIS A 33 40.953 13.549 -4.568 1.00 83.01 C ATOM 182 O HIS A 33 41.636 12.799 -3.856 1.00 82.78 O ATOM 183 CB HIS A 33 40.227 14.611 -6.760 1.00 83.31 C ATOM 184 CG HIS A 33 40.851 15.934 -7.096 1.00 84.88 C ATOM 185 ND1 HIS A 33 41.644 16.640 -6.214 1.00 86.79 N ATOM 186 CD2 HIS A 33 40.802 16.676 -8.228 1.00 86.37 C ATOM 187 CE1 HIS A 33 42.053 17.760 -6.785 1.00 87.17 C ATOM 188 NE2 HIS A 33 41.559 17.804 -8.009 1.00 87.61 N ATOM 0 H HIS A 33 40.250 12.120 -6.954 1.00 82.37 H new ATOM 0 HA HIS A 33 42.098 13.933 -6.224 1.00 82.97 H new ATOM 0 HB2 HIS A 33 39.886 14.209 -7.574 1.00 83.31 H new ATOM 0 HB3 HIS A 33 39.466 14.761 -6.177 1.00 83.31 H new ATOM 0 HD2 HIS A 33 40.342 16.463 -9.008 1.00 86.37 H new ATOM 0 HE1 HIS A 33 42.595 18.406 -6.392 1.00 87.17 H new ATOM 0 HE2 HIS A 33 41.689 18.436 -8.578 1.00 87.61 H new ATOM 189 N LEU A 34 39.982 14.335 -4.099 1.00 83.07 N ATOM 190 CA LEU A 34 39.613 14.396 -2.696 1.00 83.20 C ATOM 191 C LEU A 34 38.084 14.439 -2.591 1.00 83.37 C ATOM 192 O LEU A 34 37.398 14.994 -3.455 1.00 83.55 O ATOM 193 CB LEU A 34 40.249 15.635 -2.032 1.00 83.17 C ATOM 194 CG LEU A 34 41.742 15.868 -2.316 1.00 83.46 C ATOM 195 CD1 LEU A 34 42.223 17.167 -1.698 1.00 83.00 C ATOM 196 CD2 LEU A 34 42.584 14.695 -1.809 1.00 84.56 C ATOM 0 H LEU A 34 39.515 14.854 -4.601 1.00 83.07 H new ATOM 0 HA LEU A 34 39.942 13.611 -2.231 1.00 83.20 H new ATOM 0 HB2 LEU A 34 39.758 16.421 -2.320 1.00 83.17 H new ATOM 0 HB3 LEU A 34 40.129 15.561 -1.072 1.00 83.17 H new ATOM 0 HG LEU A 34 41.850 15.932 -3.278 1.00 83.46 H new ATOM 0 HD11 LEU A 34 43.166 17.288 -1.892 1.00 83.00 H new ATOM 0 HD12 LEU A 34 41.719 17.908 -2.069 1.00 83.00 H new ATOM 0 HD13 LEU A 34 42.093 17.136 -0.737 1.00 83.00 H new ATOM 0 HD21 LEU A 34 43.520 14.863 -1.998 1.00 84.56 H new ATOM 0 HD22 LEU A 34 42.460 14.598 -0.852 1.00 84.56 H new ATOM 0 HD23 LEU A 34 42.306 13.880 -2.255 1.00 84.56 H new ATOM 197 N ALA A 40 39.339 -0.307 6.695 1.00 56.53 N ATOM 198 CA ALA A 40 38.903 -0.410 8.092 1.00 56.56 C ATOM 199 C ALA A 40 37.634 0.414 8.371 1.00 56.60 C ATOM 200 O ALA A 40 37.275 1.315 7.583 1.00 56.67 O ATOM 201 CB ALA A 40 40.028 0.038 9.054 1.00 56.55 C ATOM 0 HA ALA A 40 38.694 -1.344 8.247 1.00 56.56 H new ATOM 0 HB1 ALA A 40 39.720 -0.038 9.971 1.00 56.55 H new ATOM 0 HB2 ALA A 40 40.806 -0.527 8.927 1.00 56.55 H new ATOM 0 HB3 ALA A 40 40.265 0.960 8.868 1.00 56.55 H new ATOM 202 N GLU A 41 37.033 0.144 9.547 1.00 56.19 N ATOM 203 CA GLU A 41 35.800 0.770 10.029 1.00 55.29 C ATOM 204 C GLU A 41 35.848 2.246 9.895 1.00 54.20 C ATOM 205 O GLU A 41 36.867 2.801 9.441 1.00 54.95 O ATOM 206 CB GLU A 41 35.624 0.482 11.493 1.00 55.51 C ATOM 207 CG GLU A 41 34.164 0.415 11.930 1.00 57.34 C ATOM 208 CD GLU A 41 33.398 -0.737 11.271 1.00 59.63 C ATOM 209 OE1 GLU A 41 32.275 -1.041 11.744 1.00 60.79 O ATOM 210 OE2 GLU A 41 33.911 -1.331 10.275 1.00 59.63 O ATOM 0 H GLU A 41 37.351 -0.432 10.101 1.00 56.19 H new ATOM 0 HA GLU A 41 35.074 0.409 9.497 1.00 55.29 H new ATOM 0 HB2 GLU A 41 36.056 -0.361 11.704 1.00 55.51 H new ATOM 0 HB3 GLU A 41 36.077 1.169 12.007 1.00 55.51 H new ATOM 0 HG2 GLU A 41 34.124 0.315 12.894 1.00 57.34 H new ATOM 0 HG3 GLU A 41 33.727 1.254 11.714 1.00 57.34 H new ATOM 211 N LYS A 42 34.737 2.887 10.259 1.00 52.38 N ATOM 212 CA LYS A 42 34.560 4.346 10.220 1.00 50.55 C ATOM 213 C LYS A 42 33.469 4.715 11.223 1.00 48.63 C ATOM 214 O LYS A 42 32.388 4.132 11.215 1.00 48.38 O ATOM 215 CB LYS A 42 34.117 4.823 8.846 1.00 50.71 C ATOM 216 CG LYS A 42 35.214 5.026 7.843 1.00 52.08 C ATOM 217 CD LYS A 42 34.741 5.892 6.671 1.00 53.37 C ATOM 218 CE LYS A 42 35.815 6.008 5.578 1.00 55.05 C ATOM 219 NZ LYS A 42 35.903 4.753 4.751 1.00 55.83 N ATOM 0 H LYS A 42 34.040 2.473 10.546 1.00 52.38 H new ATOM 0 HA LYS A 42 35.409 4.765 10.431 1.00 50.55 H new ATOM 0 HB2 LYS A 42 33.487 4.179 8.486 1.00 50.71 H new ATOM 0 HB3 LYS A 42 33.638 5.660 8.951 1.00 50.71 H new ATOM 0 HG2 LYS A 42 35.975 5.447 8.273 1.00 52.08 H new ATOM 0 HG3 LYS A 42 35.516 4.166 7.512 1.00 52.08 H new ATOM 0 HD2 LYS A 42 33.934 5.511 6.292 1.00 53.37 H new ATOM 0 HD3 LYS A 42 34.512 6.777 6.995 1.00 53.37 H new ATOM 0 HE2 LYS A 42 35.612 6.762 5.002 1.00 55.05 H new ATOM 0 HE3 LYS A 42 36.676 6.188 5.987 1.00 55.05 H new ATOM 0 HZ1 LYS A 42 35.977 4.969 3.891 1.00 55.83 H new ATOM 0 HZ2 LYS A 42 36.616 4.282 5.001 1.00 55.83 H new ATOM 0 HZ3 LYS A 42 35.168 4.265 4.872 1.00 55.83 H new ATOM 220 N ALA A 43 33.758 5.670 12.092 1.00 46.05 N ATOM 221 CA ALA A 43 32.820 6.079 13.105 1.00 43.85 C ATOM 222 C ALA A 43 32.419 7.495 12.855 1.00 42.20 C ATOM 223 O ALA A 43 32.883 8.378 13.557 1.00 43.12 O ATOM 224 CB ALA A 43 33.488 6.008 14.440 1.00 44.32 C ATOM 0 H ALA A 43 34.505 6.096 12.107 1.00 46.05 H new ATOM 0 HA ALA A 43 32.042 5.500 13.084 1.00 43.85 H new ATOM 0 HB1 ALA A 43 32.863 6.282 15.130 1.00 44.32 H new ATOM 0 HB2 ALA A 43 33.777 5.098 14.609 1.00 44.32 H new ATOM 0 HB3 ALA A 43 34.258 6.598 14.449 1.00 44.32 H new ATOM 225 N LEU A 44 31.537 7.729 11.901 1.00 39.44 N ATOM 226 CA LEU A 44 31.130 9.074 11.560 1.00 37.29 C ATOM 227 C LEU A 44 30.444 9.759 12.716 1.00 34.58 C ATOM 228 O LEU A 44 29.652 9.145 13.404 1.00 35.16 O ATOM 229 CB LEU A 44 30.167 8.992 10.404 1.00 38.25 C ATOM 230 CG LEU A 44 30.681 8.197 9.220 1.00 40.75 C ATOM 231 CD1 LEU A 44 29.649 8.224 8.113 1.00 42.82 C ATOM 232 CD2 LEU A 44 31.993 8.817 8.758 1.00 43.44 C ATOM 0 H LEU A 44 31.159 7.114 11.434 1.00 39.44 H new ATOM 0 HA LEU A 44 31.919 9.590 11.332 1.00 37.29 H new ATOM 0 HB2 LEU A 44 29.339 8.592 10.714 1.00 38.25 H new ATOM 0 HB3 LEU A 44 29.955 9.891 10.109 1.00 38.25 H new ATOM 0 HG LEU A 44 30.836 7.272 9.467 1.00 40.75 H new ATOM 0 HD11 LEU A 44 29.975 7.716 7.354 1.00 42.82 H new ATOM 0 HD12 LEU A 44 28.821 7.832 8.432 1.00 42.82 H new ATOM 0 HD13 LEU A 44 29.488 9.142 7.842 1.00 42.82 H new ATOM 0 HD21 LEU A 44 32.337 8.320 7.999 1.00 43.44 H new ATOM 0 HD22 LEU A 44 31.841 9.739 8.498 1.00 43.44 H new ATOM 0 HD23 LEU A 44 32.638 8.788 9.482 1.00 43.44 H new ATOM 233 N GLN A 45 30.774 11.021 12.939 1.00 31.55 N ATOM 234 CA GLN A 45 30.195 11.819 14.004 1.00 29.13 C ATOM 235 C GLN A 45 29.048 12.555 13.391 1.00 27.39 C ATOM 236 O GLN A 45 28.170 13.078 14.087 1.00 27.74 O ATOM 237 CB GLN A 45 31.204 12.854 14.505 1.00 29.23 C ATOM 238 CG GLN A 45 32.237 12.357 15.509 1.00 29.00 C ATOM 239 CD GLN A 45 32.115 13.048 16.846 1.00 29.09 C ATOM 240 OE1 GLN A 45 30.901 13.385 17.217 1.00 30.68 O flip ATOM 241 NE2 GLN A 45 33.107 13.273 17.540 1.00 30.48 N flip ATOM 0 H GLN A 45 31.353 11.446 12.466 1.00 31.55 H new ATOM 0 HA GLN A 45 29.930 11.255 14.748 1.00 29.13 H new ATOM 0 HB2 GLN A 45 31.674 13.217 13.738 1.00 29.23 H new ATOM 0 HB3 GLN A 45 30.714 13.587 14.910 1.00 29.23 H new ATOM 0 HG2 GLN A 45 32.132 11.400 15.631 1.00 29.00 H new ATOM 0 HG3 GLN A 45 33.127 12.502 15.152 1.00 29.00 H new ATOM 0 HE21 GLN A 45 33.887 13.038 17.264 1.00 30.48 H new ATOM 0 HE22 GLN A 45 33.020 13.665 18.300 1.00 30.48 H new ATOM 242 N SER A 46 29.064 12.628 12.067 1.00 24.95 N ATOM 243 CA SER A 46 28.020 13.327 11.351 1.00 22.75 C ATOM 244 C SER A 46 27.663 12.677 10.032 1.00 21.34 C ATOM 245 O SER A 46 28.242 11.697 9.618 1.00 20.30 O ATOM 246 CB SER A 46 28.427 14.779 11.107 1.00 22.80 C ATOM 247 OG SER A 46 29.416 14.903 10.086 1.00 21.23 O ATOM 0 H SER A 46 29.672 12.279 11.569 1.00 24.95 H new ATOM 0 HA SER A 46 27.231 13.288 11.914 1.00 22.75 H new ATOM 0 HB2 SER A 46 27.644 15.294 10.859 1.00 22.80 H new ATOM 0 HB3 SER A 46 28.768 15.160 11.932 1.00 22.80 H new ATOM 0 HG SER A 46 29.611 15.713 9.981 1.00 21.23 H new ATOM 248 N ASN A 47 26.647 13.247 9.402 1.00 20.28 N ATOM 249 CA ASN A 47 26.158 12.824 8.119 1.00 19.18 C ATOM 250 C ASN A 47 25.430 14.053 7.648 1.00 18.69 C ATOM 251 O ASN A 47 24.891 14.764 8.445 1.00 17.44 O ATOM 252 CB ASN A 47 25.171 11.661 8.275 1.00 19.27 C ATOM 253 CG ASN A 47 25.839 10.363 8.713 1.00 17.77 C ATOM 254 OD1 ASN A 47 25.505 9.904 9.913 1.00 16.38 O flip ATOM 255 ND2 ASN A 47 26.621 9.770 7.966 1.00 13.95 N flip ATOM 0 H ASN A 47 26.213 13.914 9.728 1.00 20.28 H new ATOM 0 HA ASN A 47 26.853 12.513 7.518 1.00 19.18 H new ATOM 0 HB2 ASN A 47 24.493 11.904 8.925 1.00 19.27 H new ATOM 0 HB3 ASN A 47 24.716 11.515 7.431 1.00 19.27 H new ATOM 0 HD21 ASN A 47 26.813 10.100 7.195 1.00 13.95 H new ATOM 0 HD22 ASN A 47 26.974 9.027 8.216 1.00 13.95 H new ATOM 256 N HIS A 48 25.454 14.331 6.364 1.00 19.14 N ATOM 257 CA HIS A 48 24.703 15.440 5.819 1.00 20.08 C ATOM 258 C HIS A 48 24.246 14.984 4.444 1.00 20.38 C ATOM 259 O HIS A 48 25.092 14.618 3.619 1.00 20.89 O ATOM 260 CB HIS A 48 25.586 16.668 5.691 1.00 20.28 C ATOM 261 CG HIS A 48 26.027 17.250 7.001 1.00 22.50 C ATOM 262 ND1 HIS A 48 27.127 16.793 7.699 1.00 24.37 N ATOM 263 CD2 HIS A 48 25.535 18.286 7.722 1.00 25.46 C ATOM 264 CE1 HIS A 48 27.283 17.509 8.800 1.00 23.98 C ATOM 265 NE2 HIS A 48 26.327 18.418 8.841 1.00 26.15 N ATOM 0 H HIS A 48 25.904 13.885 5.783 1.00 19.14 H new ATOM 0 HA HIS A 48 23.957 15.681 6.390 1.00 20.08 H new ATOM 0 HB2 HIS A 48 26.371 16.436 5.171 1.00 20.28 H new ATOM 0 HB3 HIS A 48 25.106 17.348 5.192 1.00 20.28 H new ATOM 0 HD2 HIS A 48 24.799 18.811 7.502 1.00 25.46 H new ATOM 0 HE1 HIS A 48 27.951 17.392 9.436 1.00 23.98 H new ATOM 0 HE2 HIS A 48 26.216 18.999 9.466 1.00 26.15 H new ATOM 266 N PHE A 49 22.938 14.964 4.191 1.00 20.20 N ATOM 267 CA PHE A 49 22.423 14.532 2.882 1.00 20.30 C ATOM 268 C PHE A 49 21.518 15.565 2.182 1.00 20.43 C ATOM 269 O PHE A 49 20.579 16.147 2.788 1.00 20.40 O ATOM 270 CB PHE A 49 21.598 13.257 3.007 1.00 20.39 C ATOM 271 CG PHE A 49 22.227 12.188 3.810 1.00 20.64 C ATOM 272 CD1 PHE A 49 23.372 11.591 3.406 1.00 21.05 C ATOM 273 CD2 PHE A 49 21.596 11.698 4.929 1.00 22.14 C ATOM 274 CE1 PHE A 49 23.896 10.566 4.146 1.00 21.07 C ATOM 275 CE2 PHE A 49 22.137 10.692 5.665 1.00 20.58 C ATOM 276 CZ PHE A 49 23.266 10.135 5.288 1.00 19.59 C ATOM 0 H PHE A 49 22.332 15.194 4.757 1.00 20.20 H new ATOM 0 HA PHE A 49 23.223 14.401 2.350 1.00 20.30 H new ATOM 0 HB2 PHE A 49 20.741 13.479 3.402 1.00 20.39 H new ATOM 0 HB3 PHE A 49 21.420 12.914 2.117 1.00 20.39 H new ATOM 0 HD1 PHE A 49 23.800 11.875 2.631 1.00 21.05 H new ATOM 0 HD2 PHE A 49 20.781 12.063 5.188 1.00 22.14 H new ATOM 0 HE1 PHE A 49 24.686 10.158 3.873 1.00 21.07 H new ATOM 0 HE2 PHE A 49 21.708 10.398 6.436 1.00 20.58 H new ATOM 0 HZ PHE A 49 23.638 9.449 5.794 1.00 19.59 H new ATOM 277 N GLU A 50 21.739 15.753 0.884 1.00 20.23 N ATOM 278 CA GLU A 50 20.867 16.670 0.136 1.00 20.49 C ATOM 279 C GLU A 50 20.416 16.090 -1.222 1.00 20.13 C ATOM 280 O GLU A 50 21.234 15.578 -1.987 1.00 19.83 O ATOM 281 CB GLU A 50 21.533 18.047 -0.003 1.00 20.10 C ATOM 282 CG GLU A 50 20.847 19.113 0.833 1.00 19.11 C ATOM 283 CD GLU A 50 21.431 20.496 0.635 1.00 19.16 C ATOM 284 OE1 GLU A 50 20.730 21.513 0.890 1.00 15.73 O ATOM 285 OE2 GLU A 50 22.605 20.562 0.211 1.00 21.88 O ATOM 0 H GLU A 50 22.363 15.377 0.427 1.00 20.23 H new ATOM 0 HA GLU A 50 20.051 16.784 0.648 1.00 20.49 H new ATOM 0 HB2 GLU A 50 22.463 17.981 0.263 1.00 20.10 H new ATOM 0 HB3 GLU A 50 21.523 18.315 -0.935 1.00 20.10 H new ATOM 0 HG2 GLU A 50 19.903 19.132 0.610 1.00 19.11 H new ATOM 0 HG3 GLU A 50 20.912 18.872 1.770 1.00 19.11 H new ATOM 286 N LEU A 51 19.123 16.174 -1.514 1.00 19.36 N ATOM 287 CA LEU A 51 18.638 15.638 -2.770 1.00 19.82 C ATOM 288 C LEU A 51 17.352 16.285 -3.272 1.00 19.70 C ATOM 289 O LEU A 51 16.680 17.021 -2.555 1.00 20.08 O ATOM 290 CB LEU A 51 18.441 14.125 -2.652 1.00 20.12 C ATOM 291 CG LEU A 51 17.704 13.591 -1.422 1.00 21.41 C ATOM 292 CD1 LEU A 51 17.072 12.268 -1.727 1.00 22.66 C ATOM 293 CD2 LEU A 51 18.644 13.428 -0.254 1.00 21.98 C ATOM 0 H LEU A 51 18.525 16.530 -1.009 1.00 19.36 H new ATOM 0 HA LEU A 51 19.320 15.846 -3.428 1.00 19.82 H new ATOM 0 HB2 LEU A 51 17.961 13.825 -3.440 1.00 20.12 H new ATOM 0 HB3 LEU A 51 19.317 13.708 -2.678 1.00 20.12 H new ATOM 0 HG LEU A 51 17.018 14.236 -1.188 1.00 21.41 H new ATOM 0 HD11 LEU A 51 16.609 11.941 -0.940 1.00 22.66 H new ATOM 0 HD12 LEU A 51 16.439 12.372 -2.455 1.00 22.66 H new ATOM 0 HD13 LEU A 51 17.758 11.633 -1.984 1.00 22.66 H new ATOM 0 HD21 LEU A 51 18.154 13.089 0.511 1.00 21.98 H new ATOM 0 HD22 LEU A 51 19.348 12.803 -0.489 1.00 21.98 H new ATOM 0 HD23 LEU A 51 19.036 14.287 -0.032 1.00 21.98 H new ATOM 294 N SER A 52 17.011 16.002 -4.520 1.00 19.61 N ATOM 295 CA SER A 52 15.769 16.483 -5.086 1.00 20.12 C ATOM 296 C SER A 52 15.086 15.296 -5.742 1.00 20.03 C ATOM 297 O SER A 52 15.732 14.570 -6.516 1.00 20.66 O ATOM 298 CB SER A 52 16.033 17.584 -6.091 1.00 20.08 C ATOM 299 OG SER A 52 16.819 18.600 -5.490 1.00 22.05 O ATOM 0 H SER A 52 17.490 15.530 -5.056 1.00 19.61 H new ATOM 0 HA SER A 52 15.200 16.861 -4.398 1.00 20.12 H new ATOM 0 HB2 SER A 52 16.492 17.224 -6.866 1.00 20.08 H new ATOM 0 HB3 SER A 52 15.194 17.955 -6.405 1.00 20.08 H new ATOM 0 HG SER A 52 16.461 18.842 -4.770 1.00 22.05 H new ATOM 300 N ILE A 53 13.812 15.072 -5.421 1.00 19.29 N ATOM 301 CA ILE A 53 13.087 13.942 -5.975 1.00 19.04 C ATOM 302 C ILE A 53 11.698 14.326 -6.498 1.00 18.78 C ATOM 303 O ILE A 53 11.036 15.193 -5.940 1.00 18.78 O ATOM 304 CB ILE A 53 12.947 12.849 -4.906 1.00 19.09 C ATOM 305 CG1 ILE A 53 12.136 13.342 -3.709 1.00 20.09 C ATOM 306 CG2 ILE A 53 14.284 12.439 -4.416 1.00 19.40 C ATOM 307 CD1 ILE A 53 11.811 12.251 -2.722 1.00 21.29 C ATOM 0 H ILE A 53 13.354 15.564 -4.885 1.00 19.29 H new ATOM 0 HA ILE A 53 13.599 13.617 -6.732 1.00 19.04 H new ATOM 0 HB ILE A 53 12.490 12.100 -5.319 1.00 19.09 H new ATOM 0 HG12 ILE A 53 12.632 14.042 -3.256 1.00 20.09 H new ATOM 0 HG13 ILE A 53 11.310 13.739 -4.027 1.00 20.09 H new ATOM 0 HG21 ILE A 53 14.184 11.749 -3.742 1.00 19.40 H new ATOM 0 HG22 ILE A 53 14.808 12.094 -5.156 1.00 19.40 H new ATOM 0 HG23 ILE A 53 14.736 13.205 -4.029 1.00 19.40 H new ATOM 0 HD11 ILE A 53 11.298 12.622 -1.987 1.00 21.29 H new ATOM 0 HD12 ILE A 53 11.292 11.560 -3.162 1.00 21.29 H new ATOM 0 HD13 ILE A 53 12.634 11.868 -2.380 1.00 21.29 H new ATOM 308 N LYS A 54 11.261 13.660 -7.565 1.00 18.38 N ATOM 309 CA LYS A 54 9.932 13.854 -8.146 1.00 17.85 C ATOM 310 C LYS A 54 9.257 12.493 -8.161 1.00 17.42 C ATOM 311 O LYS A 54 9.842 11.541 -8.668 1.00 17.02 O ATOM 312 CB LYS A 54 10.037 14.384 -9.569 1.00 17.84 C ATOM 313 CG LYS A 54 8.714 14.753 -10.204 1.00 19.46 C ATOM 314 CD LYS A 54 8.784 14.920 -11.744 1.00 20.61 C ATOM 315 CE LYS A 54 7.391 15.226 -12.316 1.00 22.17 C ATOM 316 NZ LYS A 54 7.353 15.361 -13.805 1.00 23.72 N ATOM 0 H LYS A 54 11.735 13.074 -7.979 1.00 18.38 H new ATOM 0 HA LYS A 54 9.427 14.499 -7.627 1.00 17.85 H new ATOM 0 HB2 LYS A 54 10.611 15.166 -9.569 1.00 17.84 H new ATOM 0 HB3 LYS A 54 10.471 13.714 -10.120 1.00 17.84 H new ATOM 0 HG2 LYS A 54 8.060 14.069 -9.991 1.00 19.46 H new ATOM 0 HG3 LYS A 54 8.396 15.581 -9.811 1.00 19.46 H new ATOM 0 HD2 LYS A 54 9.397 15.637 -11.969 1.00 20.61 H new ATOM 0 HD3 LYS A 54 9.134 14.110 -12.147 1.00 20.61 H new ATOM 0 HE2 LYS A 54 6.782 14.520 -12.050 1.00 22.17 H new ATOM 0 HE3 LYS A 54 7.063 16.048 -11.919 1.00 22.17 H new ATOM 0 HZ1 LYS A 54 6.521 15.537 -14.066 1.00 23.72 H new ATOM 0 HZ2 LYS A 54 7.889 16.025 -14.057 1.00 23.72 H new ATOM 0 HZ3 LYS A 54 7.627 14.601 -14.179 1.00 23.72 H new ATOM 317 N THR A 55 8.038 12.375 -7.624 1.00 16.97 N ATOM 318 CA THR A 55 7.402 11.058 -7.590 1.00 16.53 C ATOM 319 C THR A 55 5.905 11.033 -7.245 1.00 16.24 C ATOM 320 O THR A 55 5.356 11.962 -6.679 1.00 16.52 O ATOM 321 CB THR A 55 8.179 10.189 -6.605 1.00 16.34 C ATOM 322 OG1 THR A 55 7.483 8.976 -6.362 1.00 15.74 O ATOM 323 CG2 THR A 55 8.254 10.880 -5.239 1.00 17.13 C ATOM 0 H THR A 55 7.579 13.019 -7.287 1.00 16.97 H new ATOM 0 HA THR A 55 7.435 10.720 -8.499 1.00 16.53 H new ATOM 0 HB THR A 55 9.056 10.036 -6.990 1.00 16.34 H new ATOM 0 HG1 THR A 55 7.841 8.355 -6.799 1.00 15.74 H new ATOM 0 HG21 THR A 55 8.749 10.321 -4.620 1.00 17.13 H new ATOM 0 HG22 THR A 55 8.703 11.735 -5.333 1.00 17.13 H new ATOM 0 HG23 THR A 55 7.357 11.023 -4.899 1.00 17.13 H new ATOM 324 N GLU A 56 5.255 9.937 -7.609 1.00 16.03 N ATOM 325 CA GLU A 56 3.838 9.707 -7.311 1.00 15.44 C ATOM 326 C GLU A 56 3.747 8.619 -6.231 1.00 14.91 C ATOM 327 O GLU A 56 2.676 8.304 -5.715 1.00 14.64 O ATOM 328 CB GLU A 56 3.060 9.309 -8.581 1.00 14.86 C ATOM 329 CG GLU A 56 2.775 10.492 -9.491 1.00 16.23 C ATOM 330 CD GLU A 56 1.864 10.192 -10.673 1.00 17.36 C ATOM 331 OE1 GLU A 56 2.362 9.638 -11.669 1.00 18.05 O ATOM 332 OE2 GLU A 56 0.658 10.553 -10.637 1.00 17.91 O ATOM 0 H GLU A 56 5.625 9.293 -8.043 1.00 16.03 H new ATOM 0 HA GLU A 56 3.431 10.525 -6.984 1.00 15.44 H new ATOM 0 HB2 GLU A 56 3.568 8.644 -9.071 1.00 14.86 H new ATOM 0 HB3 GLU A 56 2.222 8.894 -8.325 1.00 14.86 H new ATOM 0 HG2 GLU A 56 2.374 11.200 -8.963 1.00 16.23 H new ATOM 0 HG3 GLU A 56 3.618 10.833 -9.828 1.00 16.23 H new ATOM 333 N ALA A 57 4.893 8.064 -5.876 1.00 14.51 N ATOM 334 CA ALA A 57 4.937 7.001 -4.909 1.00 14.66 C ATOM 335 C ALA A 57 4.530 7.489 -3.546 1.00 14.88 C ATOM 336 O ALA A 57 4.743 8.645 -3.214 1.00 15.46 O ATOM 337 CB ALA A 57 6.305 6.452 -4.838 1.00 14.71 C ATOM 0 H ALA A 57 5.660 8.295 -6.190 1.00 14.51 H new ATOM 0 HA ALA A 57 4.314 6.312 -5.190 1.00 14.66 H new ATOM 0 HB1 ALA A 57 6.333 5.735 -4.185 1.00 14.71 H new ATOM 0 HB2 ALA A 57 6.561 6.107 -5.708 1.00 14.71 H new ATOM 0 HB3 ALA A 57 6.922 7.153 -4.574 1.00 14.71 H new ATOM 338 N THR A 58 3.955 6.591 -2.752 1.00 14.53 N ATOM 339 CA THR A 58 3.604 6.903 -1.373 1.00 14.02 C ATOM 340 C THR A 58 4.403 6.011 -0.416 1.00 12.62 C ATOM 341 O THR A 58 4.349 6.151 0.790 1.00 11.82 O ATOM 342 CB THR A 58 2.110 6.708 -1.138 1.00 14.08 C ATOM 343 OG1 THR A 58 1.861 5.357 -0.759 1.00 15.22 O ATOM 344 CG2 THR A 58 1.325 6.882 -2.420 1.00 15.16 C ATOM 0 H THR A 58 3.759 5.790 -2.996 1.00 14.53 H new ATOM 0 HA THR A 58 3.823 7.833 -1.204 1.00 14.02 H new ATOM 0 HB THR A 58 1.848 7.354 -0.464 1.00 14.08 H new ATOM 0 HG1 THR A 58 1.772 5.312 0.075 1.00 15.22 H new ATOM 0 HG21 THR A 58 0.380 6.753 -2.241 1.00 15.16 H new ATOM 0 HG22 THR A 58 1.468 7.776 -2.769 1.00 15.16 H new ATOM 0 HG23 THR A 58 1.622 6.229 -3.073 1.00 15.16 H new ATOM 345 N GLN A 59 5.154 5.088 -0.977 1.00 12.02 N ATOM 346 CA GLN A 59 5.975 4.181 -0.197 1.00 11.06 C ATOM 347 C GLN A 59 7.192 3.846 -1.026 1.00 10.82 C ATOM 348 O GLN A 59 7.065 3.392 -2.151 1.00 10.29 O ATOM 349 CB GLN A 59 5.222 2.898 0.086 1.00 10.65 C ATOM 350 CG GLN A 59 3.867 3.087 0.715 1.00 9.74 C ATOM 351 CD GLN A 59 3.897 3.240 2.234 1.00 7.85 C ATOM 352 OE1 GLN A 59 5.083 3.056 2.846 1.00 3.17 O flip ATOM 353 NE2 GLN A 59 2.842 3.513 2.847 1.00 3.58 N flip ATOM 0 H GLN A 59 5.205 4.966 -1.827 1.00 12.02 H new ATOM 0 HA GLN A 59 6.216 4.597 0.646 1.00 11.06 H new ATOM 0 HB2 GLN A 59 5.113 2.411 -0.746 1.00 10.65 H new ATOM 0 HB3 GLN A 59 5.762 2.343 0.671 1.00 10.65 H new ATOM 0 HG2 GLN A 59 3.449 3.873 0.329 1.00 9.74 H new ATOM 0 HG3 GLN A 59 3.307 2.328 0.488 1.00 9.74 H new ATOM 0 HE21 GLN A 59 2.108 3.622 2.412 1.00 3.58 H new ATOM 0 HE22 GLN A 59 2.850 3.592 3.703 1.00 3.58 H new ATOM 354 N GLY A 60 8.380 4.045 -0.468 1.00 11.14 N ATOM 355 CA GLY A 60 9.604 3.724 -1.179 1.00 10.97 C ATOM 356 C GLY A 60 10.805 4.145 -0.380 1.00 11.35 C ATOM 357 O GLY A 60 10.666 5.051 0.445 1.00 10.73 O ATOM 0 H GLY A 60 8.497 4.365 0.322 1.00 11.14 H new ATOM 0 HA2 GLY A 60 9.643 2.770 -1.353 1.00 10.97 H new ATOM 0 HA3 GLY A 60 9.610 4.170 -2.041 1.00 10.97 H new ATOM 358 N LEU A 61 11.954 3.478 -0.630 1.00 11.98 N ATOM 359 CA LEU A 61 13.254 3.776 -0.012 1.00 11.64 C ATOM 360 C LEU A 61 14.121 4.570 -0.966 1.00 11.78 C ATOM 361 O LEU A 61 14.452 4.094 -2.047 1.00 11.31 O ATOM 362 CB LEU A 61 14.002 2.482 0.330 1.00 12.10 C ATOM 363 CG LEU A 61 15.393 2.691 0.952 1.00 12.18 C ATOM 364 CD1 LEU A 61 15.276 3.418 2.262 1.00 10.68 C ATOM 365 CD2 LEU A 61 16.090 1.389 1.156 1.00 12.95 C ATOM 0 H LEU A 61 11.991 2.820 -1.183 1.00 11.98 H new ATOM 0 HA LEU A 61 13.082 4.286 0.795 1.00 11.64 H new ATOM 0 HB2 LEU A 61 13.461 1.962 0.945 1.00 12.10 H new ATOM 0 HB3 LEU A 61 14.098 1.955 -0.478 1.00 12.10 H new ATOM 0 HG LEU A 61 15.918 3.226 0.336 1.00 12.18 H new ATOM 0 HD11 LEU A 61 16.159 3.543 2.643 1.00 10.68 H new ATOM 0 HD12 LEU A 61 14.862 4.283 2.116 1.00 10.68 H new ATOM 0 HD13 LEU A 61 14.731 2.898 2.873 1.00 10.68 H new ATOM 0 HD21 LEU A 61 16.963 1.547 1.548 1.00 12.95 H new ATOM 0 HD22 LEU A 61 15.565 0.830 1.750 1.00 12.95 H new ATOM 0 HD23 LEU A 61 16.196 0.941 0.302 1.00 12.95 H new ATOM 366 N ILE A 62 14.531 5.759 -0.537 1.00 12.39 N ATOM 367 CA ILE A 62 15.351 6.651 -1.346 1.00 12.62 C ATOM 368 C ILE A 62 16.868 6.383 -1.226 1.00 13.11 C ATOM 369 O ILE A 62 17.522 5.968 -2.182 1.00 13.70 O ATOM 370 CB ILE A 62 15.027 8.052 -0.925 1.00 12.85 C ATOM 371 CG1 ILE A 62 13.590 8.378 -1.331 1.00 11.89 C ATOM 372 CG2 ILE A 62 16.046 9.053 -1.525 1.00 14.41 C ATOM 373 CD1 ILE A 62 13.043 9.552 -0.646 1.00 12.70 C ATOM 0 H ILE A 62 14.339 6.073 0.240 1.00 12.39 H new ATOM 0 HA ILE A 62 15.144 6.498 -2.281 1.00 12.62 H new ATOM 0 HB ILE A 62 15.095 8.130 0.039 1.00 12.85 H new ATOM 0 HG12 ILE A 62 13.558 8.527 -2.289 1.00 11.89 H new ATOM 0 HG13 ILE A 62 13.026 7.611 -1.144 1.00 11.89 H new ATOM 0 HG21 ILE A 62 15.821 9.953 -1.242 1.00 14.41 H new ATOM 0 HG22 ILE A 62 16.938 8.831 -1.216 1.00 14.41 H new ATOM 0 HG23 ILE A 62 16.018 9.002 -2.493 1.00 14.41 H new ATOM 0 HD11 ILE A 62 12.133 9.706 -0.945 1.00 12.70 H new ATOM 0 HD12 ILE A 62 13.047 9.399 0.312 1.00 12.70 H new ATOM 0 HD13 ILE A 62 13.586 10.329 -0.851 1.00 12.70 H new ATOM 374 N LEU A 63 17.443 6.605 -0.057 1.00 13.20 N ATOM 375 CA LEU A 63 18.878 6.396 0.131 1.00 12.86 C ATOM 376 C LEU A 63 19.080 5.609 1.405 1.00 13.22 C ATOM 377 O LEU A 63 18.173 5.565 2.245 1.00 14.36 O ATOM 378 CB LEU A 63 19.547 7.748 0.232 1.00 12.81 C ATOM 379 CG LEU A 63 20.646 7.996 1.267 1.00 14.02 C ATOM 380 CD1 LEU A 63 21.331 9.329 0.973 1.00 14.37 C ATOM 381 CD2 LEU A 63 20.137 8.011 2.658 1.00 14.66 C ATOM 0 H LEU A 63 17.025 6.877 0.644 1.00 13.20 H new ATOM 0 HA LEU A 63 19.263 5.905 -0.612 1.00 12.86 H new ATOM 0 HB2 LEU A 63 19.924 7.946 -0.639 1.00 12.81 H new ATOM 0 HB3 LEU A 63 18.849 8.401 0.394 1.00 12.81 H new ATOM 0 HG LEU A 63 21.273 7.259 1.195 1.00 14.02 H new ATOM 0 HD11 LEU A 63 22.028 9.487 1.629 1.00 14.37 H new ATOM 0 HD12 LEU A 63 21.723 9.303 0.086 1.00 14.37 H new ATOM 0 HD13 LEU A 63 20.678 10.045 1.017 1.00 14.37 H new ATOM 0 HD21 LEU A 63 20.872 8.171 3.270 1.00 14.66 H new ATOM 0 HD22 LEU A 63 19.477 8.716 2.754 1.00 14.66 H new ATOM 0 HD23 LEU A 63 19.728 7.156 2.862 1.00 14.66 H new ATOM 382 N TRP A 64 20.222 4.950 1.565 1.00 13.19 N ATOM 383 CA TRP A 64 20.482 4.169 2.797 1.00 13.44 C ATOM 384 C TRP A 64 21.965 3.997 2.966 1.00 13.41 C ATOM 385 O TRP A 64 22.617 3.334 2.149 1.00 13.34 O ATOM 386 CB TRP A 64 19.801 2.780 2.801 1.00 13.22 C ATOM 387 CG TRP A 64 20.225 1.887 3.959 1.00 12.48 C ATOM 388 CD1 TRP A 64 21.483 1.389 4.201 1.00 12.95 C ATOM 389 CD2 TRP A 64 19.394 1.356 4.999 1.00 11.77 C ATOM 390 NE1 TRP A 64 21.479 0.588 5.322 1.00 12.42 N ATOM 391 CE2 TRP A 64 20.208 0.554 5.833 1.00 12.28 C ATOM 392 CE3 TRP A 64 18.041 1.454 5.306 1.00 13.08 C ATOM 393 CZ2 TRP A 64 19.707 -0.111 6.962 1.00 10.53 C ATOM 394 CZ3 TRP A 64 17.545 0.771 6.423 1.00 11.67 C ATOM 395 CH2 TRP A 64 18.376 0.005 7.227 1.00 10.40 C ATOM 0 H TRP A 64 20.859 4.935 0.987 1.00 13.19 H new ATOM 0 HA TRP A 64 20.099 4.669 3.535 1.00 13.44 H new ATOM 0 HB2 TRP A 64 18.839 2.901 2.833 1.00 13.22 H new ATOM 0 HB3 TRP A 64 20.002 2.329 1.966 1.00 13.22 H new ATOM 0 HD1 TRP A 64 22.233 1.568 3.680 1.00 12.95 H new ATOM 0 HE1 TRP A 64 22.161 0.177 5.647 1.00 12.42 H new ATOM 0 HE3 TRP A 64 17.473 1.966 4.776 1.00 13.08 H new ATOM 0 HZ2 TRP A 64 20.265 -0.614 7.511 1.00 10.53 H new ATOM 0 HZ3 TRP A 64 16.640 0.832 6.630 1.00 11.67 H new ATOM 0 HH2 TRP A 64 18.017 -0.438 7.962 1.00 10.40 H new ATOM 396 N SER A 65 22.490 4.608 4.026 1.00 13.68 N ATOM 397 CA SER A 65 23.921 4.579 4.311 1.00 13.66 C ATOM 398 C SER A 65 24.180 3.649 5.476 1.00 14.09 C ATOM 399 O SER A 65 23.783 3.909 6.598 1.00 14.19 O ATOM 400 CB SER A 65 24.399 5.978 4.660 1.00 13.61 C ATOM 401 OG SER A 65 25.782 6.029 4.900 1.00 12.42 O ATOM 0 H SER A 65 22.026 5.050 4.599 1.00 13.68 H new ATOM 0 HA SER A 65 24.401 4.262 3.530 1.00 13.66 H new ATOM 0 HB2 SER A 65 24.177 6.583 3.935 1.00 13.61 H new ATOM 0 HB3 SER A 65 23.925 6.292 5.446 1.00 13.61 H new ATOM 0 HG SER A 65 26.005 6.817 5.087 1.00 12.42 H new ATOM 402 N GLY A 66 24.838 2.547 5.205 1.00 14.82 N ATOM 403 CA GLY A 66 25.118 1.581 6.240 1.00 15.83 C ATOM 404 C GLY A 66 25.928 0.435 5.668 1.00 16.82 C ATOM 405 O GLY A 66 26.383 0.524 4.534 1.00 17.81 O ATOM 0 H GLY A 66 25.133 2.337 4.425 1.00 14.82 H new ATOM 0 HA2 GLY A 66 25.606 2.003 6.964 1.00 15.83 H new ATOM 0 HA3 GLY A 66 24.288 1.246 6.614 1.00 15.83 H new ATOM 406 N LYS A 67 26.109 -0.633 6.433 1.00 17.14 N ATOM 407 CA LYS A 67 26.852 -1.764 5.948 1.00 17.50 C ATOM 408 C LYS A 67 25.818 -2.730 5.370 1.00 17.12 C ATOM 409 O LYS A 67 26.070 -3.485 4.442 1.00 17.36 O ATOM 410 CB LYS A 67 27.641 -2.404 7.090 1.00 18.13 C ATOM 411 CG LYS A 67 28.973 -3.050 6.648 1.00 19.67 C ATOM 412 CD LYS A 67 29.461 -4.060 7.677 1.00 22.02 C ATOM 413 CE LYS A 67 30.587 -4.928 7.152 1.00 22.89 C ATOM 414 NZ LYS A 67 31.739 -4.127 6.661 1.00 26.91 N ATOM 0 H LYS A 67 25.807 -0.715 7.234 1.00 17.14 H new ATOM 0 HA LYS A 67 27.500 -1.511 5.272 1.00 17.50 H new ATOM 0 HB2 LYS A 67 27.827 -1.729 7.761 1.00 18.13 H new ATOM 0 HB3 LYS A 67 27.089 -3.080 7.513 1.00 18.13 H new ATOM 0 HG2 LYS A 67 28.854 -3.489 5.791 1.00 19.67 H new ATOM 0 HG3 LYS A 67 29.644 -2.361 6.523 1.00 19.67 H new ATOM 0 HD2 LYS A 67 29.763 -3.589 8.470 1.00 22.02 H new ATOM 0 HD3 LYS A 67 28.720 -4.625 7.947 1.00 22.02 H new ATOM 0 HE2 LYS A 67 30.887 -5.524 7.856 1.00 22.89 H new ATOM 0 HE3 LYS A 67 30.253 -5.485 6.432 1.00 22.89 H new ATOM 0 HZ1 LYS A 67 32.433 -4.664 6.513 1.00 26.91 H new ATOM 0 HZ2 LYS A 67 31.515 -3.717 5.904 1.00 26.91 H new ATOM 0 HZ3 LYS A 67 31.960 -3.519 7.272 1.00 26.91 H new ATOM 415 N GLY A 68 24.625 -2.686 5.912 1.00 16.60 N ATOM 416 CA GLY A 68 23.596 -3.588 5.455 1.00 16.61 C ATOM 417 C GLY A 68 23.605 -4.928 6.159 1.00 16.24 C ATOM 418 O GLY A 68 23.089 -5.910 5.650 1.00 16.26 O ATOM 0 H GLY A 68 24.389 -2.148 6.540 1.00 16.60 H new ATOM 0 HA2 GLY A 68 22.730 -3.170 5.583 1.00 16.61 H new ATOM 0 HA3 GLY A 68 23.703 -3.732 4.502 1.00 16.61 H new ATOM 419 N LEU A 69 24.184 -4.961 7.345 1.00 15.96 N ATOM 420 CA LEU A 69 24.217 -6.164 8.127 1.00 15.90 C ATOM 421 C LEU A 69 23.354 -5.966 9.361 1.00 15.91 C ATOM 422 O LEU A 69 23.368 -4.891 9.964 1.00 15.65 O ATOM 423 CB LEU A 69 25.646 -6.484 8.533 1.00 16.08 C ATOM 424 CG LEU A 69 26.573 -6.870 7.382 1.00 17.05 C ATOM 425 CD1 LEU A 69 27.987 -7.069 7.886 1.00 17.45 C ATOM 426 CD2 LEU A 69 26.084 -8.125 6.683 1.00 17.49 C ATOM 0 H LEU A 69 24.567 -4.285 7.714 1.00 15.96 H new ATOM 0 HA LEU A 69 23.875 -6.906 7.604 1.00 15.90 H new ATOM 0 HB2 LEU A 69 26.020 -5.712 8.986 1.00 16.08 H new ATOM 0 HB3 LEU A 69 25.630 -7.211 9.176 1.00 16.08 H new ATOM 0 HG LEU A 69 26.568 -6.144 6.738 1.00 17.05 H new ATOM 0 HD11 LEU A 69 28.563 -7.313 7.145 1.00 17.45 H new ATOM 0 HD12 LEU A 69 28.307 -6.245 8.286 1.00 17.45 H new ATOM 0 HD13 LEU A 69 27.998 -7.776 8.550 1.00 17.45 H new ATOM 0 HD21 LEU A 69 26.688 -8.348 5.958 1.00 17.49 H new ATOM 0 HD22 LEU A 69 26.055 -8.859 7.317 1.00 17.49 H new ATOM 0 HD23 LEU A 69 25.195 -7.972 6.327 1.00 17.49 H new ATOM 427 N GLU A 70 22.640 -7.023 9.744 1.00 15.60 N ATOM 428 CA GLU A 70 21.740 -6.989 10.872 1.00 16.06 C ATOM 429 C GLU A 70 22.274 -6.247 12.073 1.00 15.94 C ATOM 430 O GLU A 70 21.536 -5.597 12.768 1.00 16.21 O ATOM 431 CB GLU A 70 21.355 -8.411 11.299 1.00 16.55 C ATOM 432 CG GLU A 70 20.329 -9.083 10.409 1.00 18.81 C ATOM 433 CD GLU A 70 19.660 -10.300 11.039 1.00 24.20 C ATOM 434 OE1 GLU A 70 19.051 -10.188 12.149 1.00 26.20 O ATOM 435 OE2 GLU A 70 19.726 -11.391 10.403 1.00 27.45 O ATOM 0 H GLU A 70 22.671 -7.785 9.346 1.00 15.60 H new ATOM 0 HA GLU A 70 20.964 -6.498 10.559 1.00 16.06 H new ATOM 0 HB2 GLU A 70 22.156 -8.958 11.319 1.00 16.55 H new ATOM 0 HB3 GLU A 70 21.010 -8.381 12.205 1.00 16.55 H new ATOM 0 HG2 GLU A 70 19.646 -8.436 10.174 1.00 18.81 H new ATOM 0 HG3 GLU A 70 20.759 -9.354 9.583 1.00 18.81 H new ATOM 436 N ARG A 71 23.551 -6.365 12.346 1.00 16.99 N ATOM 437 CA ARG A 71 24.144 -5.712 13.511 1.00 17.47 C ATOM 438 C ARG A 71 24.408 -4.238 13.317 1.00 17.91 C ATOM 439 O ARG A 71 24.304 -3.459 14.265 1.00 17.68 O ATOM 440 CB ARG A 71 25.459 -6.404 13.862 1.00 17.47 C ATOM 441 CG ARG A 71 26.537 -6.335 12.835 1.00 17.00 C ATOM 442 CD ARG A 71 27.804 -7.015 13.329 1.00 18.24 C ATOM 443 NE ARG A 71 28.993 -6.681 12.542 1.00 18.67 N ATOM 444 CZ ARG A 71 29.226 -7.108 11.308 1.00 18.91 C ATOM 445 NH1 ARG A 71 28.345 -7.878 10.700 1.00 19.12 N ATOM 446 NH2 ARG A 71 30.336 -6.759 10.674 1.00 18.55 N ATOM 0 H ARG A 71 24.105 -6.820 11.871 1.00 16.99 H new ATOM 0 HA ARG A 71 23.495 -5.790 14.228 1.00 17.47 H new ATOM 0 HB2 ARG A 71 25.797 -6.016 14.684 1.00 17.47 H new ATOM 0 HB3 ARG A 71 25.272 -7.338 14.045 1.00 17.47 H new ATOM 0 HG2 ARG A 71 26.236 -6.759 12.016 1.00 17.00 H new ATOM 0 HG3 ARG A 71 26.726 -5.408 12.621 1.00 17.00 H new ATOM 0 HD2 ARG A 71 27.957 -6.765 14.254 1.00 18.24 H new ATOM 0 HD3 ARG A 71 27.674 -7.976 13.313 1.00 18.24 H new ATOM 0 HE ARG A 71 29.582 -6.171 12.906 1.00 18.67 H new ATOM 0 HH11 ARG A 71 27.620 -8.103 11.104 1.00 19.12 H new ATOM 0 HH12 ARG A 71 28.496 -8.155 9.900 1.00 19.12 H new ATOM 0 HH21 ARG A 71 30.912 -6.252 11.063 1.00 18.55 H new ATOM 0 HH22 ARG A 71 30.481 -7.040 9.874 1.00 18.55 H new ATOM 447 N SER A 72 24.746 -3.892 12.071 1.00 18.51 N ATOM 448 CA SER A 72 25.148 -2.548 11.638 1.00 18.80 C ATOM 449 C SER A 72 24.250 -1.387 12.016 1.00 18.46 C ATOM 450 O SER A 72 23.041 -1.550 12.105 1.00 19.16 O ATOM 451 CB SER A 72 25.295 -2.577 10.121 1.00 19.15 C ATOM 452 OG SER A 72 26.039 -3.724 9.728 1.00 20.16 O ATOM 0 H SER A 72 24.747 -4.460 11.426 1.00 18.51 H new ATOM 0 HA SER A 72 25.971 -2.368 12.120 1.00 18.80 H new ATOM 0 HB2 SER A 72 24.420 -2.591 9.704 1.00 19.15 H new ATOM 0 HB3 SER A 72 25.742 -1.772 9.816 1.00 19.15 H new ATOM 0 HG SER A 72 26.859 -3.577 9.837 1.00 20.16 H new ATOM 453 N ASP A 73 24.837 -0.219 12.262 1.00 18.03 N ATOM 454 CA ASP A 73 24.027 0.971 12.508 1.00 17.93 C ATOM 455 C ASP A 73 23.726 1.525 11.132 1.00 17.62 C ATOM 456 O ASP A 73 24.443 1.256 10.197 1.00 17.82 O ATOM 457 CB ASP A 73 24.718 2.072 13.309 1.00 18.01 C ATOM 458 CG ASP A 73 25.849 1.599 14.109 1.00 18.43 C ATOM 459 OD1 ASP A 73 26.951 1.471 13.540 1.00 19.72 O ATOM 460 OD2 ASP A 73 25.739 1.381 15.325 1.00 19.54 O ATOM 0 H ASP A 73 25.687 -0.094 12.291 1.00 18.03 H new ATOM 0 HA ASP A 73 23.256 0.711 13.036 1.00 17.93 H new ATOM 0 HB2 ASP A 73 25.029 2.758 12.698 1.00 18.01 H new ATOM 0 HB3 ASP A 73 24.069 2.489 13.897 1.00 18.01 H new ATOM 461 N TYR A 74 22.666 2.299 10.993 1.00 17.54 N ATOM 462 CA TYR A 74 22.335 2.832 9.684 1.00 17.34 C ATOM 463 C TYR A 74 21.730 4.196 9.771 1.00 17.34 C ATOM 464 O TYR A 74 21.427 4.691 10.854 1.00 17.63 O ATOM 465 CB TYR A 74 21.313 1.936 8.985 1.00 17.50 C ATOM 466 CG TYR A 74 20.078 1.741 9.796 1.00 15.93 C ATOM 467 CD1 TYR A 74 19.076 2.691 9.817 1.00 16.74 C ATOM 468 CD2 TYR A 74 19.937 0.630 10.596 1.00 15.55 C ATOM 469 CE1 TYR A 74 17.921 2.509 10.603 1.00 16.12 C ATOM 470 CE2 TYR A 74 18.795 0.441 11.370 1.00 16.76 C ATOM 471 CZ TYR A 74 17.819 1.359 11.367 1.00 15.83 C ATOM 472 OH TYR A 74 16.795 1.062 12.180 1.00 17.68 O ATOM 0 H TYR A 74 22.133 2.525 11.629 1.00 17.54 H new ATOM 0 HA TYR A 74 23.168 2.872 9.189 1.00 17.34 H new ATOM 0 HB2 TYR A 74 21.076 2.327 8.129 1.00 17.50 H new ATOM 0 HB3 TYR A 74 21.716 1.073 8.801 1.00 17.50 H new ATOM 0 HD1 TYR A 74 19.165 3.462 9.305 1.00 16.74 H new ATOM 0 HD2 TYR A 74 20.616 -0.005 10.620 1.00 15.55 H new ATOM 0 HE1 TYR A 74 17.243 3.146 10.608 1.00 16.12 H new ATOM 0 HE2 TYR A 74 18.709 -0.325 11.891 1.00 16.76 H new ATOM 0 HH TYR A 74 16.934 0.319 12.546 1.00 17.68 H new ATOM 473 N ILE A 75 21.533 4.777 8.596 1.00 16.92 N ATOM 474 CA ILE A 75 20.863 6.043 8.455 1.00 16.47 C ATOM 475 C ILE A 75 20.218 5.949 7.091 1.00 15.79 C ATOM 476 O ILE A 75 20.892 5.607 6.118 1.00 16.68 O ATOM 477 CB ILE A 75 21.860 7.213 8.533 1.00 16.29 C ATOM 478 CG1 ILE A 75 21.089 8.521 8.736 1.00 17.13 C ATOM 479 CG2 ILE A 75 22.692 7.260 7.283 1.00 16.12 C ATOM 480 CD1 ILE A 75 21.929 9.718 8.952 1.00 18.65 C ATOM 0 H ILE A 75 21.792 4.435 7.850 1.00 16.92 H new ATOM 0 HA ILE A 75 20.220 6.213 9.161 1.00 16.47 H new ATOM 0 HB ILE A 75 22.459 7.088 9.286 1.00 16.29 H new ATOM 0 HG12 ILE A 75 20.528 8.673 7.960 1.00 17.13 H new ATOM 0 HG13 ILE A 75 20.498 8.417 9.498 1.00 17.13 H new ATOM 0 HG21 ILE A 75 23.318 7.999 7.338 1.00 16.12 H new ATOM 0 HG22 ILE A 75 23.182 6.428 7.189 1.00 16.12 H new ATOM 0 HG23 ILE A 75 22.114 7.383 6.514 1.00 16.12 H new ATOM 0 HD11 ILE A 75 21.361 10.495 9.070 1.00 18.65 H new ATOM 0 HD12 ILE A 75 22.474 9.592 9.745 1.00 18.65 H new ATOM 0 HD13 ILE A 75 22.504 9.853 8.183 1.00 18.65 H new ATOM 481 N ALA A 76 18.929 6.217 7.008 1.00 14.74 N ATOM 482 CA ALA A 76 18.247 6.135 5.733 1.00 14.51 C ATOM 483 C ALA A 76 17.140 7.147 5.596 1.00 14.27 C ATOM 484 O ALA A 76 16.679 7.776 6.565 1.00 13.79 O ATOM 485 CB ALA A 76 17.655 4.765 5.555 1.00 15.15 C ATOM 0 H ALA A 76 18.433 6.447 7.672 1.00 14.74 H new ATOM 0 HA ALA A 76 18.914 6.320 5.053 1.00 14.51 H new ATOM 0 HB1 ALA A 76 17.200 4.717 4.700 1.00 15.15 H new ATOM 0 HB2 ALA A 76 18.362 4.101 5.582 1.00 15.15 H new ATOM 0 HB3 ALA A 76 17.021 4.591 6.268 1.00 15.15 H new ATOM 486 N LEU A 77 16.694 7.258 4.358 1.00 13.52 N ATOM 487 CA LEU A 77 15.630 8.156 4.010 1.00 13.04 C ATOM 488 C LEU A 77 14.652 7.365 3.153 1.00 12.37 C ATOM 489 O LEU A 77 15.054 6.685 2.209 1.00 11.70 O ATOM 490 CB LEU A 77 16.190 9.359 3.261 1.00 12.91 C ATOM 491 CG LEU A 77 17.011 10.347 4.091 1.00 12.89 C ATOM 492 CD1 LEU A 77 17.598 11.411 3.187 1.00 12.62 C ATOM 493 CD2 LEU A 77 16.186 11.000 5.142 1.00 13.80 C ATOM 0 H LEU A 77 17.007 6.808 3.695 1.00 13.52 H new ATOM 0 HA LEU A 77 15.178 8.501 4.796 1.00 13.04 H new ATOM 0 HB2 LEU A 77 16.746 9.035 2.535 1.00 12.91 H new ATOM 0 HB3 LEU A 77 15.450 9.840 2.859 1.00 12.91 H new ATOM 0 HG LEU A 77 17.720 9.848 4.527 1.00 12.89 H new ATOM 0 HD11 LEU A 77 18.118 12.035 3.717 1.00 12.62 H new ATOM 0 HD12 LEU A 77 18.172 10.993 2.525 1.00 12.62 H new ATOM 0 HD13 LEU A 77 16.881 11.887 2.739 1.00 12.62 H new ATOM 0 HD21 LEU A 77 16.736 11.618 5.648 1.00 13.80 H new ATOM 0 HD22 LEU A 77 15.455 11.484 4.726 1.00 13.80 H new ATOM 0 HD23 LEU A 77 15.827 10.324 5.739 1.00 13.80 H new ATOM 494 N ALA A 78 13.378 7.439 3.521 1.00 11.89 N ATOM 495 CA ALA A 78 12.317 6.759 2.798 1.00 11.76 C ATOM 496 C ALA A 78 10.952 7.517 2.793 1.00 11.86 C ATOM 497 O ALA A 78 10.619 8.326 3.683 1.00 10.91 O ATOM 498 CB ALA A 78 12.144 5.403 3.376 1.00 11.79 C ATOM 0 H ALA A 78 13.106 7.888 4.202 1.00 11.89 H new ATOM 0 HA ALA A 78 12.591 6.717 1.868 1.00 11.76 H new ATOM 0 HB1 ALA A 78 11.438 4.937 2.902 1.00 11.79 H new ATOM 0 HB2 ALA A 78 12.973 4.906 3.290 1.00 11.79 H new ATOM 0 HB3 ALA A 78 11.908 5.478 4.314 1.00 11.79 H new ATOM 499 N ILE A 79 10.160 7.252 1.769 1.00 12.16 N ATOM 500 CA ILE A 79 8.841 7.829 1.718 1.00 12.66 C ATOM 501 C ILE A 79 7.943 6.837 2.403 1.00 12.96 C ATOM 502 O ILE A 79 7.877 5.696 2.003 1.00 13.25 O ATOM 503 CB ILE A 79 8.383 8.058 0.298 1.00 12.57 C ATOM 504 CG1 ILE A 79 9.261 9.114 -0.377 1.00 11.56 C ATOM 505 CG2 ILE A 79 6.936 8.526 0.311 1.00 14.47 C ATOM 506 CD1 ILE A 79 8.956 9.340 -1.844 1.00 9.94 C ATOM 0 H ILE A 79 10.367 6.747 1.104 1.00 12.16 H new ATOM 0 HA ILE A 79 8.827 8.698 2.148 1.00 12.66 H new ATOM 0 HB ILE A 79 8.456 7.229 -0.200 1.00 12.57 H new ATOM 0 HG12 ILE A 79 9.158 9.954 0.096 1.00 11.56 H new ATOM 0 HG13 ILE A 79 10.190 8.850 -0.288 1.00 11.56 H new ATOM 0 HG21 ILE A 79 6.636 8.675 -0.599 1.00 14.47 H new ATOM 0 HG22 ILE A 79 6.380 7.849 0.728 1.00 14.47 H new ATOM 0 HG23 ILE A 79 6.868 9.353 0.813 1.00 14.47 H new ATOM 0 HD11 ILE A 79 9.551 10.020 -2.197 1.00 9.94 H new ATOM 0 HD12 ILE A 79 9.085 8.512 -2.333 1.00 9.94 H new ATOM 0 HD13 ILE A 79 8.037 9.633 -1.942 1.00 9.94 H new ATOM 507 N VAL A 80 7.268 7.266 3.456 1.00 13.79 N ATOM 508 CA VAL A 80 6.438 6.372 4.227 1.00 14.53 C ATOM 509 C VAL A 80 5.034 6.910 4.353 1.00 14.84 C ATOM 510 O VAL A 80 4.810 7.934 4.976 1.00 14.83 O ATOM 511 CB VAL A 80 7.009 6.126 5.635 1.00 14.55 C ATOM 512 CG1 VAL A 80 5.972 5.429 6.488 1.00 16.91 C ATOM 513 CG2 VAL A 80 8.231 5.266 5.560 1.00 14.35 C ATOM 0 H VAL A 80 7.280 8.078 3.739 1.00 13.79 H new ATOM 0 HA VAL A 80 6.422 5.529 3.748 1.00 14.53 H new ATOM 0 HB VAL A 80 7.243 6.982 6.027 1.00 14.55 H new ATOM 0 HG11 VAL A 80 6.333 5.275 7.375 1.00 16.91 H new ATOM 0 HG12 VAL A 80 5.180 5.985 6.554 1.00 16.91 H new ATOM 0 HG13 VAL A 80 5.737 4.580 6.083 1.00 16.91 H new ATOM 0 HG21 VAL A 80 8.579 5.120 6.453 1.00 14.35 H new ATOM 0 HG22 VAL A 80 8.002 4.413 5.159 1.00 14.35 H new ATOM 0 HG23 VAL A 80 8.905 5.707 5.019 1.00 14.35 H new ATOM 514 N ASP A 81 4.089 6.186 3.767 1.00 15.42 N ATOM 515 CA ASP A 81 2.711 6.600 3.772 1.00 15.90 C ATOM 516 C ASP A 81 2.596 8.050 3.371 1.00 15.99 C ATOM 517 O ASP A 81 2.016 8.850 4.091 1.00 16.58 O ATOM 518 CB ASP A 81 2.135 6.406 5.149 1.00 16.19 C ATOM 519 CG ASP A 81 1.804 4.969 5.428 1.00 17.08 C ATOM 520 OD1 ASP A 81 0.983 4.407 4.681 1.00 19.87 O ATOM 521 OD2 ASP A 81 2.294 4.316 6.365 1.00 17.76 O ATOM 0 H ASP A 81 4.236 5.444 3.358 1.00 15.42 H new ATOM 0 HA ASP A 81 2.218 6.062 3.134 1.00 15.90 H new ATOM 0 HB2 ASP A 81 2.769 6.725 5.811 1.00 16.19 H new ATOM 0 HB3 ASP A 81 1.334 6.945 5.241 1.00 16.19 H new ATOM 522 N GLY A 82 3.185 8.386 2.230 1.00 15.79 N ATOM 523 CA GLY A 82 3.093 9.718 1.689 1.00 15.50 C ATOM 524 C GLY A 82 4.066 10.746 2.198 1.00 15.31 C ATOM 525 O GLY A 82 4.123 11.836 1.642 1.00 15.96 O ATOM 0 H GLY A 82 3.649 7.841 1.752 1.00 15.79 H new ATOM 0 HA2 GLY A 82 3.198 9.658 0.727 1.00 15.50 H new ATOM 0 HA3 GLY A 82 2.196 10.047 1.856 1.00 15.50 H new ATOM 526 N PHE A 83 4.833 10.451 3.235 1.00 15.01 N ATOM 527 CA PHE A 83 5.770 11.457 3.736 1.00 14.44 C ATOM 528 C PHE A 83 7.185 10.947 3.920 1.00 13.85 C ATOM 529 O PHE A 83 7.351 9.874 4.402 1.00 13.10 O ATOM 530 CB PHE A 83 5.294 11.980 5.081 1.00 14.38 C ATOM 531 CG PHE A 83 3.945 12.590 5.056 1.00 14.16 C ATOM 532 CD1 PHE A 83 2.834 11.860 5.471 1.00 14.10 C ATOM 533 CD2 PHE A 83 3.769 13.910 4.666 1.00 13.56 C ATOM 534 CE1 PHE A 83 1.591 12.433 5.482 1.00 11.89 C ATOM 535 CE2 PHE A 83 2.501 14.481 4.672 1.00 11.08 C ATOM 536 CZ PHE A 83 1.430 13.744 5.069 1.00 10.70 C ATOM 0 H PHE A 83 4.833 9.701 3.655 1.00 15.01 H new ATOM 0 HA PHE A 83 5.790 12.151 3.058 1.00 14.44 H new ATOM 0 HB2 PHE A 83 5.295 11.249 5.719 1.00 14.38 H new ATOM 0 HB3 PHE A 83 5.929 12.639 5.403 1.00 14.38 H new ATOM 0 HD1 PHE A 83 2.937 10.977 5.743 1.00 14.10 H new ATOM 0 HD2 PHE A 83 4.503 14.415 4.399 1.00 13.56 H new ATOM 0 HE1 PHE A 83 0.855 11.941 5.767 1.00 11.89 H new ATOM 0 HE2 PHE A 83 2.386 15.364 4.405 1.00 11.08 H new ATOM 0 HZ PHE A 83 0.581 14.124 5.063 1.00 10.70 H new ATOM 537 N VAL A 84 8.182 11.769 3.591 1.00 14.37 N ATOM 538 CA VAL A 84 9.618 11.457 3.754 1.00 14.96 C ATOM 539 C VAL A 84 10.062 11.399 5.222 1.00 14.98 C ATOM 540 O VAL A 84 9.922 12.363 5.950 1.00 15.11 O ATOM 541 CB VAL A 84 10.500 12.532 3.066 1.00 14.78 C ATOM 542 CG1 VAL A 84 11.962 12.278 3.332 1.00 15.99 C ATOM 543 CG2 VAL A 84 10.270 12.529 1.583 1.00 16.09 C ATOM 0 H VAL A 84 8.044 12.549 3.256 1.00 14.37 H new ATOM 0 HA VAL A 84 9.732 10.584 3.348 1.00 14.96 H new ATOM 0 HB VAL A 84 10.252 13.395 3.434 1.00 14.78 H new ATOM 0 HG11 VAL A 84 12.494 12.960 2.894 1.00 15.99 H new ATOM 0 HG12 VAL A 84 12.127 12.304 4.288 1.00 15.99 H new ATOM 0 HG13 VAL A 84 12.207 11.406 2.986 1.00 15.99 H new ATOM 0 HG21 VAL A 84 10.828 13.205 1.168 1.00 16.09 H new ATOM 0 HG22 VAL A 84 10.496 11.658 1.222 1.00 16.09 H new ATOM 0 HG23 VAL A 84 9.337 12.722 1.400 1.00 16.09 H new ATOM 544 N GLN A 85 10.630 10.288 5.667 1.00 15.05 N ATOM 545 CA GLN A 85 11.047 10.223 7.067 1.00 14.89 C ATOM 546 C GLN A 85 12.452 9.656 7.259 1.00 14.91 C ATOM 547 O GLN A 85 12.758 8.562 6.795 1.00 14.98 O ATOM 548 CB GLN A 85 10.034 9.419 7.895 1.00 14.94 C ATOM 549 CG GLN A 85 9.891 7.945 7.494 1.00 13.56 C ATOM 550 CD GLN A 85 9.344 7.075 8.618 1.00 12.21 C ATOM 551 OE1 GLN A 85 10.089 6.259 9.199 1.00 7.95 O ATOM 552 NE2 GLN A 85 8.048 7.256 8.939 1.00 6.41 N ATOM 0 H GLN A 85 10.781 9.583 5.199 1.00 15.05 H new ATOM 0 HA GLN A 85 11.074 11.140 7.382 1.00 14.89 H new ATOM 0 HB2 GLN A 85 10.293 9.462 8.829 1.00 14.94 H new ATOM 0 HB3 GLN A 85 9.166 9.846 7.822 1.00 14.94 H new ATOM 0 HG2 GLN A 85 9.303 7.879 6.725 1.00 13.56 H new ATOM 0 HG3 GLN A 85 10.757 7.604 7.219 1.00 13.56 H new ATOM 0 HE21 GLN A 85 7.575 7.831 8.509 1.00 6.41 H new ATOM 0 HE22 GLN A 85 7.694 6.796 9.574 1.00 6.41 H new ATOM 553 N MET A 86 13.296 10.419 7.951 1.00 14.95 N ATOM 554 CA MET A 86 14.658 10.015 8.256 1.00 14.65 C ATOM 555 C MET A 86 14.686 9.101 9.452 1.00 14.99 C ATOM 556 O MET A 86 14.024 9.353 10.436 1.00 15.67 O ATOM 557 CB MET A 86 15.525 11.216 8.555 1.00 14.22 C ATOM 558 CG MET A 86 16.898 10.824 8.961 1.00 14.49 C ATOM 559 SD MET A 86 18.150 12.041 8.606 1.00 17.07 S ATOM 560 CE MET A 86 18.026 13.111 10.025 1.00 16.10 C ATOM 0 H MET A 86 13.087 11.195 8.258 1.00 14.95 H new ATOM 0 HA MET A 86 15.002 9.551 7.477 1.00 14.65 H new ATOM 0 HB2 MET A 86 15.571 11.784 7.770 1.00 14.22 H new ATOM 0 HB3 MET A 86 15.117 11.740 9.262 1.00 14.22 H new ATOM 0 HG2 MET A 86 16.902 10.641 9.914 1.00 14.49 H new ATOM 0 HG3 MET A 86 17.132 9.996 8.513 1.00 14.49 H new ATOM 0 HE1 MET A 86 18.844 13.624 10.116 1.00 16.10 H new ATOM 0 HE2 MET A 86 17.277 13.716 9.910 1.00 16.10 H new ATOM 0 HE3 MET A 86 17.889 12.576 10.823 1.00 16.10 H new ATOM 561 N MET A 87 15.464 8.030 9.373 1.00 15.67 N ATOM 562 CA MET A 87 15.556 7.069 10.464 1.00 15.51 C ATOM 563 C MET A 87 16.950 6.520 10.524 1.00 15.58 C ATOM 564 O MET A 87 17.523 6.193 9.482 1.00 15.52 O ATOM 565 CB MET A 87 14.591 5.937 10.200 1.00 15.50 C ATOM 566 CG MET A 87 14.929 4.693 10.927 1.00 16.73 C ATOM 567 SD MET A 87 13.620 3.537 10.835 1.00 13.38 S ATOM 568 CE MET A 87 13.639 2.917 12.483 1.00 15.79 C ATOM 0 H MET A 87 15.951 7.840 8.690 1.00 15.67 H new ATOM 0 HA MET A 87 15.339 7.502 11.304 1.00 15.51 H new ATOM 0 HB2 MET A 87 13.697 6.218 10.452 1.00 15.50 H new ATOM 0 HB3 MET A 87 14.573 5.752 9.248 1.00 15.50 H new ATOM 0 HG2 MET A 87 15.735 4.304 10.552 1.00 16.73 H new ATOM 0 HG3 MET A 87 15.119 4.899 11.856 1.00 16.73 H new ATOM 0 HE1 MET A 87 12.925 2.269 12.594 1.00 15.79 H new ATOM 0 HE2 MET A 87 14.492 2.490 12.659 1.00 15.79 H new ATOM 0 HE3 MET A 87 13.510 3.649 13.106 1.00 15.79 H new ATOM 569 N TYR A 88 17.492 6.421 11.742 1.00 15.84 N ATOM 570 CA TYR A 88 18.862 5.895 11.977 1.00 15.30 C ATOM 571 C TYR A 88 18.993 5.301 13.372 1.00 14.95 C ATOM 572 O TYR A 88 18.315 5.722 14.323 1.00 15.01 O ATOM 573 CB TYR A 88 19.918 6.966 11.797 1.00 14.54 C ATOM 574 CG TYR A 88 19.743 8.176 12.680 1.00 15.51 C ATOM 575 CD1 TYR A 88 20.412 8.286 13.893 1.00 15.61 C ATOM 576 CD2 TYR A 88 18.921 9.239 12.288 1.00 14.80 C ATOM 577 CE1 TYR A 88 20.259 9.410 14.690 1.00 14.87 C ATOM 578 CE2 TYR A 88 18.774 10.368 13.071 1.00 12.32 C ATOM 579 CZ TYR A 88 19.442 10.451 14.269 1.00 14.09 C ATOM 580 OH TYR A 88 19.304 11.583 15.062 1.00 15.59 O ATOM 0 H TYR A 88 17.082 6.655 12.461 1.00 15.84 H new ATOM 0 HA TYR A 88 19.005 5.201 11.315 1.00 15.30 H new ATOM 0 HB2 TYR A 88 20.789 6.577 11.971 1.00 14.54 H new ATOM 0 HB3 TYR A 88 19.916 7.253 10.871 1.00 14.54 H new ATOM 0 HD1 TYR A 88 20.970 7.597 14.174 1.00 15.61 H new ATOM 0 HD2 TYR A 88 18.463 9.184 11.481 1.00 14.80 H new ATOM 0 HE1 TYR A 88 20.703 9.467 15.505 1.00 14.87 H new ATOM 0 HE2 TYR A 88 18.228 11.066 12.790 1.00 12.32 H new ATOM 0 HH TYR A 88 19.783 11.505 15.747 1.00 15.59 H new ATOM 581 N ASP A 89 19.838 4.288 13.461 1.00 14.49 N ATOM 582 CA ASP A 89 20.175 3.646 14.718 1.00 14.22 C ATOM 583 C ASP A 89 21.698 3.658 14.846 1.00 13.39 C ATOM 584 O ASP A 89 22.385 3.184 13.971 1.00 13.81 O ATOM 585 CB ASP A 89 19.667 2.215 14.730 1.00 14.73 C ATOM 586 CG ASP A 89 19.842 1.542 16.092 1.00 14.59 C ATOM 587 OD1 ASP A 89 19.106 0.542 16.369 1.00 13.10 O ATOM 588 OD2 ASP A 89 20.678 1.974 16.927 1.00 11.03 O ATOM 0 H ASP A 89 20.239 3.948 12.780 1.00 14.49 H new ATOM 0 HA ASP A 89 19.764 4.117 15.459 1.00 14.22 H new ATOM 0 HB2 ASP A 89 18.728 2.206 14.487 1.00 14.73 H new ATOM 0 HB3 ASP A 89 20.139 1.702 14.056 1.00 14.73 H new ATOM 589 N LEU A 90 22.221 4.220 15.916 1.00 12.39 N ATOM 590 CA LEU A 90 23.658 4.295 16.128 1.00 12.24 C ATOM 591 C LEU A 90 24.145 3.227 17.097 1.00 11.80 C ATOM 592 O LEU A 90 25.292 2.935 17.172 1.00 12.07 O ATOM 593 CB LEU A 90 24.034 5.647 16.695 1.00 12.21 C ATOM 594 CG LEU A 90 23.313 6.791 15.976 1.00 14.73 C ATOM 595 CD1 LEU A 90 23.348 8.088 16.826 1.00 17.08 C ATOM 596 CD2 LEU A 90 23.892 7.011 14.591 1.00 14.90 C ATOM 0 H LEU A 90 21.754 4.572 16.546 1.00 12.39 H new ATOM 0 HA LEU A 90 24.077 4.155 15.264 1.00 12.24 H new ATOM 0 HB2 LEU A 90 23.817 5.672 17.640 1.00 12.21 H new ATOM 0 HB3 LEU A 90 24.993 5.773 16.621 1.00 12.21 H new ATOM 0 HG LEU A 90 22.382 6.542 15.865 1.00 14.73 H new ATOM 0 HD11 LEU A 90 22.887 8.798 16.353 1.00 17.08 H new ATOM 0 HD12 LEU A 90 22.910 7.929 17.677 1.00 17.08 H new ATOM 0 HD13 LEU A 90 24.269 8.349 16.981 1.00 17.08 H new ATOM 0 HD21 LEU A 90 23.421 7.738 14.155 1.00 14.90 H new ATOM 0 HD22 LEU A 90 24.833 7.234 14.665 1.00 14.90 H new ATOM 0 HD23 LEU A 90 23.792 6.201 14.066 1.00 14.90 H new ATOM 597 N GLY A 91 23.258 2.611 17.837 1.00 11.99 N ATOM 598 CA GLY A 91 23.673 1.605 18.771 1.00 11.60 C ATOM 599 C GLY A 91 22.807 1.634 19.990 1.00 11.51 C ATOM 600 O GLY A 91 22.913 0.772 20.832 1.00 10.81 O ATOM 0 H GLY A 91 22.411 2.761 17.814 1.00 11.99 H new ATOM 0 HA2 GLY A 91 23.626 0.730 18.355 1.00 11.60 H new ATOM 0 HA3 GLY A 91 24.599 1.750 19.022 1.00 11.60 H new ATOM 601 N SER A 92 21.958 2.649 20.081 1.00 12.43 N ATOM 602 CA SER A 92 21.043 2.794 21.208 1.00 12.61 C ATOM 603 C SER A 92 19.616 2.925 20.756 1.00 12.40 C ATOM 604 O SER A 92 18.843 3.624 21.371 1.00 13.43 O ATOM 605 CB SER A 92 21.462 3.994 22.069 1.00 12.78 C ATOM 606 OG SER A 92 22.830 3.867 22.486 1.00 12.67 O ATOM 0 H SER A 92 21.895 3.273 19.493 1.00 12.43 H new ATOM 0 HA SER A 92 21.095 1.988 21.745 1.00 12.61 H new ATOM 0 HB2 SER A 92 21.348 4.815 21.565 1.00 12.78 H new ATOM 0 HB3 SER A 92 20.886 4.056 22.847 1.00 12.78 H new ATOM 0 HG SER A 92 22.863 3.458 23.219 1.00 12.67 H new ATOM 607 N LYS A 93 19.263 2.213 19.690 1.00 12.82 N ATOM 608 CA LYS A 93 17.894 2.189 19.116 1.00 12.19 C ATOM 609 C LYS A 93 17.544 3.391 18.220 1.00 12.48 C ATOM 610 O LYS A 93 18.101 4.454 18.352 1.00 12.57 O ATOM 611 CB LYS A 93 16.868 1.986 20.224 1.00 11.76 C ATOM 612 CG LYS A 93 16.996 0.625 20.886 1.00 10.78 C ATOM 613 CD LYS A 93 15.944 0.383 21.890 1.00 10.92 C ATOM 614 CE LYS A 93 16.096 -0.953 22.535 1.00 10.25 C ATOM 615 NZ LYS A 93 17.331 -0.950 23.298 1.00 9.90 N ATOM 0 H LYS A 93 19.818 1.715 19.262 1.00 12.82 H new ATOM 0 HA LYS A 93 17.870 1.432 18.510 1.00 12.19 H new ATOM 0 HB2 LYS A 93 16.976 2.680 20.893 1.00 11.76 H new ATOM 0 HB3 LYS A 93 15.975 2.082 19.857 1.00 11.76 H new ATOM 0 HG2 LYS A 93 16.956 -0.066 20.207 1.00 10.78 H new ATOM 0 HG3 LYS A 93 17.866 0.556 21.310 1.00 10.78 H new ATOM 0 HD2 LYS A 93 15.978 1.076 22.568 1.00 10.92 H new ATOM 0 HD3 LYS A 93 15.073 0.442 21.467 1.00 10.92 H new ATOM 0 HE2 LYS A 93 15.340 -1.137 23.115 1.00 10.25 H new ATOM 0 HE3 LYS A 93 16.115 -1.653 21.864 1.00 10.25 H new ATOM 0 HZ1 LYS A 93 17.277 -1.550 23.953 1.00 9.90 H new ATOM 0 HZ2 LYS A 93 18.011 -1.157 22.763 1.00 9.90 H new ATOM 0 HZ3 LYS A 93 17.463 -0.142 23.646 1.00 9.90 H new ATOM 616 N PRO A 94 16.631 3.211 17.278 1.00 13.15 N ATOM 617 CA PRO A 94 16.264 4.270 16.326 1.00 13.15 C ATOM 618 C PRO A 94 15.444 5.498 16.780 1.00 13.23 C ATOM 619 O PRO A 94 14.808 5.555 17.842 1.00 14.03 O ATOM 620 CB PRO A 94 15.438 3.495 15.282 1.00 12.63 C ATOM 621 CG PRO A 94 15.795 2.146 15.470 1.00 13.03 C ATOM 622 CD PRO A 94 15.933 1.959 16.951 1.00 13.44 C ATOM 0 HA PRO A 94 17.090 4.703 16.060 1.00 13.15 H new ATOM 0 HB2 PRO A 94 14.487 3.629 15.416 1.00 12.63 H new ATOM 0 HB3 PRO A 94 15.642 3.791 14.381 1.00 12.63 H new ATOM 0 HG2 PRO A 94 15.118 1.554 15.107 1.00 13.03 H new ATOM 0 HG3 PRO A 94 16.626 1.940 15.015 1.00 13.03 H new ATOM 0 HD2 PRO A 94 15.077 1.879 17.400 1.00 13.44 H new ATOM 0 HD3 PRO A 94 16.449 1.171 17.183 1.00 13.44 H new ATOM 623 N VAL A 95 15.437 6.486 15.886 1.00 12.74 N ATOM 624 CA VAL A 95 14.649 7.697 16.052 1.00 11.97 C ATOM 625 C VAL A 95 14.105 8.047 14.671 1.00 11.45 C ATOM 626 O VAL A 95 14.789 7.913 13.692 1.00 11.97 O ATOM 627 CB VAL A 95 15.464 8.808 16.593 1.00 11.57 C ATOM 628 CG1 VAL A 95 16.589 9.139 15.630 1.00 12.29 C ATOM 629 CG2 VAL A 95 14.587 9.988 16.855 1.00 10.86 C ATOM 0 H VAL A 95 15.896 6.468 15.159 1.00 12.74 H new ATOM 0 HA VAL A 95 13.932 7.553 16.690 1.00 11.97 H new ATOM 0 HB VAL A 95 15.869 8.545 17.434 1.00 11.57 H new ATOM 0 HG11 VAL A 95 17.119 9.867 15.990 1.00 12.29 H new ATOM 0 HG12 VAL A 95 17.152 8.358 15.509 1.00 12.29 H new ATOM 0 HG13 VAL A 95 16.216 9.403 14.775 1.00 12.29 H new ATOM 0 HG21 VAL A 95 15.121 10.716 17.210 1.00 10.86 H new ATOM 0 HG22 VAL A 95 14.167 10.269 16.027 1.00 10.86 H new ATOM 0 HG23 VAL A 95 13.903 9.746 17.499 1.00 10.86 H new ATOM 630 N VAL A 96 12.850 8.436 14.577 1.00 11.17 N ATOM 631 CA VAL A 96 12.263 8.698 13.284 1.00 10.78 C ATOM 632 C VAL A 96 11.924 10.157 13.164 1.00 10.02 C ATOM 633 O VAL A 96 11.316 10.692 14.060 1.00 10.98 O ATOM 634 CB VAL A 96 10.995 7.821 13.095 1.00 10.59 C ATOM 635 CG1 VAL A 96 10.215 8.271 11.933 1.00 11.57 C ATOM 636 CG2 VAL A 96 11.401 6.401 12.856 1.00 11.66 C ATOM 0 H VAL A 96 12.323 8.554 15.247 1.00 11.17 H new ATOM 0 HA VAL A 96 12.900 8.473 12.588 1.00 10.78 H new ATOM 0 HB VAL A 96 10.455 7.897 13.897 1.00 10.59 H new ATOM 0 HG11 VAL A 96 9.429 7.711 11.834 1.00 11.57 H new ATOM 0 HG12 VAL A 96 9.940 9.192 12.064 1.00 11.57 H new ATOM 0 HG13 VAL A 96 10.760 8.208 11.133 1.00 11.57 H new ATOM 0 HG21 VAL A 96 10.609 5.853 12.738 1.00 11.66 H new ATOM 0 HG22 VAL A 96 11.950 6.351 12.058 1.00 11.66 H new ATOM 0 HG23 VAL A 96 11.907 6.077 13.617 1.00 11.66 H new ATOM 637 N LEU A 97 12.327 10.782 12.069 1.00 9.04 N ATOM 638 CA LEU A 97 12.045 12.172 11.794 1.00 9.09 C ATOM 639 C LEU A 97 11.136 12.206 10.579 1.00 9.28 C ATOM 640 O LEU A 97 11.566 11.887 9.494 1.00 9.22 O ATOM 641 CB LEU A 97 13.339 12.901 11.480 1.00 9.78 C ATOM 642 CG LEU A 97 14.187 13.468 12.635 1.00 10.52 C ATOM 643 CD1 LEU A 97 14.473 12.448 13.679 1.00 11.87 C ATOM 644 CD2 LEU A 97 15.460 13.993 12.107 1.00 8.82 C ATOM 0 H LEU A 97 12.784 10.396 11.451 1.00 9.04 H new ATOM 0 HA LEU A 97 11.626 12.601 12.557 1.00 9.09 H new ATOM 0 HB2 LEU A 97 13.902 12.292 10.977 1.00 9.78 H new ATOM 0 HB3 LEU A 97 13.121 13.639 10.889 1.00 9.78 H new ATOM 0 HG LEU A 97 13.672 14.179 13.048 1.00 10.52 H new ATOM 0 HD11 LEU A 97 15.007 12.847 14.384 1.00 11.87 H new ATOM 0 HD12 LEU A 97 13.638 12.123 14.051 1.00 11.87 H new ATOM 0 HD13 LEU A 97 14.960 11.708 13.284 1.00 11.87 H new ATOM 0 HD21 LEU A 97 15.991 14.349 12.837 1.00 8.82 H new ATOM 0 HD22 LEU A 97 15.949 13.278 11.671 1.00 8.82 H new ATOM 0 HD23 LEU A 97 15.278 14.698 11.466 1.00 8.82 H new ATOM 645 N ARG A 98 9.884 12.622 10.753 1.00 9.75 N ATOM 646 CA ARG A 98 8.900 12.587 9.683 1.00 10.04 C ATOM 647 C ARG A 98 8.446 13.958 9.258 1.00 10.26 C ATOM 648 O ARG A 98 8.113 14.775 10.092 1.00 10.38 O ATOM 649 CB ARG A 98 7.709 11.778 10.179 1.00 10.72 C ATOM 650 CG ARG A 98 6.641 11.418 9.149 1.00 12.02 C ATOM 651 CD ARG A 98 5.855 10.167 9.545 1.00 13.30 C ATOM 652 NE ARG A 98 4.622 9.943 8.802 1.00 12.76 N ATOM 653 CZ ARG A 98 4.554 9.463 7.567 1.00 15.54 C ATOM 654 NH1 ARG A 98 3.382 9.299 6.963 1.00 18.67 N ATOM 655 NH2 ARG A 98 5.639 9.152 6.906 1.00 16.69 N ATOM 0 H ARG A 98 9.584 12.932 11.497 1.00 9.75 H new ATOM 0 HA ARG A 98 9.308 12.182 8.902 1.00 10.04 H new ATOM 0 HB2 ARG A 98 8.044 10.954 10.567 1.00 10.72 H new ATOM 0 HB3 ARG A 98 7.283 12.276 10.894 1.00 10.72 H new ATOM 0 HG2 ARG A 98 6.029 12.163 9.046 1.00 12.02 H new ATOM 0 HG3 ARG A 98 7.061 11.275 8.286 1.00 12.02 H new ATOM 0 HD2 ARG A 98 6.429 9.393 9.431 1.00 13.30 H new ATOM 0 HD3 ARG A 98 5.640 10.224 10.489 1.00 13.30 H new ATOM 0 HE ARG A 98 3.881 10.137 9.194 1.00 12.76 H new ATOM 0 HH11 ARG A 98 2.655 9.505 7.373 1.00 18.67 H new ATOM 0 HH12 ARG A 98 3.351 8.987 6.162 1.00 18.67 H new ATOM 0 HH21 ARG A 98 6.410 9.258 7.271 1.00 16.69 H new ATOM 0 HH22 ARG A 98 5.581 8.842 6.106 1.00 16.69 H new ATOM 656 N SER A 99 8.423 14.192 7.946 1.00 11.32 N ATOM 657 CA SER A 99 8.032 15.480 7.329 1.00 12.12 C ATOM 658 C SER A 99 6.554 15.718 7.215 1.00 11.55 C ATOM 659 O SER A 99 5.798 14.764 7.109 1.00 11.74 O ATOM 660 CB SER A 99 8.626 15.611 5.919 1.00 12.49 C ATOM 661 OG SER A 99 8.064 16.744 5.272 1.00 14.92 O ATOM 0 H SER A 99 8.639 13.594 7.367 1.00 11.32 H new ATOM 0 HA SER A 99 8.386 16.144 7.941 1.00 12.12 H new ATOM 0 HB2 SER A 99 9.590 15.701 5.971 1.00 12.49 H new ATOM 0 HB3 SER A 99 8.443 14.809 5.405 1.00 12.49 H new ATOM 0 HG SER A 99 8.512 17.428 5.465 1.00 14.92 H new ATOM 662 N THR A 100 6.135 16.985 7.216 1.00 11.60 N ATOM 663 CA THR A 100 4.682 17.301 7.102 1.00 12.05 C ATOM 664 C THR A 100 4.314 17.683 5.681 1.00 11.80 C ATOM 665 O THR A 100 3.241 18.195 5.427 1.00 10.88 O ATOM 666 CB THR A 100 4.258 18.470 8.014 1.00 11.80 C ATOM 667 OG1 THR A 100 4.979 19.652 7.641 1.00 13.61 O ATOM 668 CG2 THR A 100 4.648 18.221 9.456 1.00 11.92 C ATOM 0 H THR A 100 6.652 17.670 7.279 1.00 11.60 H new ATOM 0 HA THR A 100 4.220 16.493 7.374 1.00 12.05 H new ATOM 0 HB THR A 100 3.297 18.561 7.921 1.00 11.80 H new ATOM 0 HG1 THR A 100 5.803 19.489 7.639 1.00 13.61 H new ATOM 0 HG21 THR A 100 4.368 18.973 10.002 1.00 11.92 H new ATOM 0 HG22 THR A 100 4.216 17.413 9.773 1.00 11.92 H new ATOM 0 HG23 THR A 100 5.611 18.118 9.518 1.00 11.92 H new ATOM 669 N VAL A 101 5.243 17.476 4.765 1.00 12.17 N ATOM 670 CA VAL A 101 5.026 17.850 3.387 1.00 12.69 C ATOM 671 C VAL A 101 4.744 16.677 2.446 1.00 12.49 C ATOM 672 O VAL A 101 5.656 15.941 2.082 1.00 12.27 O ATOM 673 CB VAL A 101 6.277 18.554 2.885 1.00 12.89 C ATOM 674 CG1 VAL A 101 6.183 18.792 1.406 1.00 14.24 C ATOM 675 CG2 VAL A 101 6.448 19.856 3.609 1.00 13.18 C ATOM 0 H VAL A 101 6.009 17.118 4.924 1.00 12.17 H new ATOM 0 HA VAL A 101 4.236 18.413 3.378 1.00 12.69 H new ATOM 0 HB VAL A 101 7.048 17.991 3.057 1.00 12.89 H new ATOM 0 HG11 VAL A 101 6.986 19.241 1.099 1.00 14.24 H new ATOM 0 HG12 VAL A 101 6.092 17.943 0.946 1.00 14.24 H new ATOM 0 HG13 VAL A 101 5.410 19.346 1.216 1.00 14.24 H new ATOM 0 HG21 VAL A 101 7.246 20.303 3.287 1.00 13.18 H new ATOM 0 HG22 VAL A 101 5.675 20.420 3.448 1.00 13.18 H new ATOM 0 HG23 VAL A 101 6.533 19.689 4.561 1.00 13.18 H new ATOM 676 N PRO A 102 3.499 16.518 2.015 1.00 12.42 N ATOM 677 CA PRO A 102 3.160 15.444 1.078 1.00 12.61 C ATOM 678 C PRO A 102 4.116 15.475 -0.112 1.00 13.15 C ATOM 679 O PRO A 102 4.177 16.409 -0.908 1.00 13.20 O ATOM 680 CB PRO A 102 1.725 15.763 0.686 1.00 11.97 C ATOM 681 CG PRO A 102 1.221 16.412 1.856 1.00 11.94 C ATOM 682 CD PRO A 102 2.323 17.333 2.333 1.00 12.16 C ATOM 0 HA PRO A 102 3.239 14.550 1.447 1.00 12.61 H new ATOM 0 HB2 PRO A 102 1.683 16.340 -0.093 1.00 11.97 H new ATOM 0 HB3 PRO A 102 1.222 14.961 0.473 1.00 11.97 H new ATOM 0 HG2 PRO A 102 0.414 16.912 1.655 1.00 11.94 H new ATOM 0 HG3 PRO A 102 0.990 15.764 2.540 1.00 11.94 H new ATOM 0 HD2 PRO A 102 2.324 18.182 1.865 1.00 12.16 H new ATOM 0 HD3 PRO A 102 2.255 17.531 3.280 1.00 12.16 H new ATOM 683 N ILE A 103 4.919 14.432 -0.175 1.00 13.78 N ATOM 684 CA ILE A 103 5.942 14.316 -1.188 1.00 14.07 C ATOM 685 C ILE A 103 5.420 13.832 -2.522 1.00 14.33 C ATOM 686 O ILE A 103 6.029 14.110 -3.543 1.00 15.34 O ATOM 687 CB ILE A 103 7.031 13.350 -0.679 1.00 13.95 C ATOM 688 CG1 ILE A 103 8.264 13.449 -1.559 1.00 13.00 C ATOM 689 CG2 ILE A 103 6.474 11.921 -0.581 1.00 13.77 C ATOM 690 CD1 ILE A 103 8.953 14.751 -1.421 1.00 13.14 C ATOM 0 H ILE A 103 4.885 13.769 0.371 1.00 13.78 H new ATOM 0 HA ILE A 103 6.298 15.205 -1.341 1.00 14.07 H new ATOM 0 HB ILE A 103 7.303 13.602 0.217 1.00 13.95 H new ATOM 0 HG12 ILE A 103 8.879 12.735 -1.331 1.00 13.00 H new ATOM 0 HG13 ILE A 103 8.008 13.318 -2.485 1.00 13.00 H new ATOM 0 HG21 ILE A 103 7.168 11.324 -0.260 1.00 13.77 H new ATOM 0 HG22 ILE A 103 5.725 11.907 0.036 1.00 13.77 H new ATOM 0 HG23 ILE A 103 6.176 11.629 -1.457 1.00 13.77 H new ATOM 0 HD11 ILE A 103 9.731 14.768 -1.999 1.00 13.14 H new ATOM 0 HD12 ILE A 103 8.348 15.466 -1.673 1.00 13.14 H new ATOM 0 HD13 ILE A 103 9.232 14.874 -0.500 1.00 13.14 H new ATOM 691 N ASN A 104 4.322 13.096 -2.523 1.00 14.25 N ATOM 692 CA ASN A 104 3.824 12.514 -3.759 1.00 14.13 C ATOM 693 C ASN A 104 2.963 13.431 -4.563 1.00 14.43 C ATOM 694 O ASN A 104 1.765 13.217 -4.619 1.00 14.80 O ATOM 695 CB ASN A 104 3.030 11.230 -3.476 1.00 13.63 C ATOM 696 CG ASN A 104 1.722 11.488 -2.787 1.00 12.72 C ATOM 697 OD1 ASN A 104 1.674 12.102 -1.725 1.00 8.69 O ATOM 698 ND2 ASN A 104 0.637 10.995 -3.384 1.00 14.28 N ATOM 0 H ASN A 104 3.852 12.921 -1.825 1.00 14.25 H new ATOM 0 HA ASN A 104 4.618 12.325 -4.283 1.00 14.13 H new ATOM 0 HB2 ASN A 104 2.863 10.768 -4.312 1.00 13.63 H new ATOM 0 HB3 ASN A 104 3.568 10.638 -2.927 1.00 13.63 H new ATOM 0 HD21 ASN A 104 -0.137 11.102 -3.025 1.00 14.28 H new ATOM 0 HD22 ASN A 104 0.711 10.570 -4.128 1.00 14.28 H new ATOM 699 N THR A 105 3.571 14.407 -5.226 1.00 14.67 N ATOM 700 CA THR A 105 2.843 15.331 -6.093 1.00 14.99 C ATOM 701 C THR A 105 3.400 15.265 -7.495 1.00 15.70 C ATOM 702 O THR A 105 3.001 16.015 -8.367 1.00 15.95 O ATOM 703 CB THR A 105 2.963 16.779 -5.605 1.00 15.01 C ATOM 704 OG1 THR A 105 4.316 17.204 -5.624 1.00 12.61 O ATOM 705 CG2 THR A 105 2.530 16.918 -4.162 1.00 16.01 C ATOM 0 H THR A 105 4.417 14.554 -5.187 1.00 14.67 H new ATOM 0 HA THR A 105 1.910 15.066 -6.076 1.00 14.99 H new ATOM 0 HB THR A 105 2.402 17.305 -6.196 1.00 15.01 H new ATOM 0 HG1 THR A 105 4.364 17.999 -5.356 1.00 12.61 H new ATOM 0 HG21 THR A 105 2.618 17.844 -3.885 1.00 16.01 H new ATOM 0 HG22 THR A 105 1.605 16.641 -4.074 1.00 16.01 H new ATOM 0 HG23 THR A 105 3.090 16.359 -3.601 1.00 16.01 H new ATOM 706 N ASN A 106 4.347 14.367 -7.707 1.00 16.75 N ATOM 707 CA ASN A 106 5.006 14.262 -8.987 1.00 17.34 C ATOM 708 C ASN A 106 5.504 15.637 -9.391 1.00 16.92 C ATOM 709 O ASN A 106 5.455 15.997 -10.549 1.00 15.94 O ATOM 710 CB ASN A 106 4.059 13.690 -10.032 1.00 17.95 C ATOM 711 CG ASN A 106 4.791 13.172 -11.276 1.00 20.09 C ATOM 712 OD1 ASN A 106 5.752 12.395 -11.185 1.00 20.48 O ATOM 713 ND2 ASN A 106 4.323 13.595 -12.449 1.00 23.59 N ATOM 0 H ASN A 106 4.622 13.806 -7.116 1.00 16.75 H new ATOM 0 HA ASN A 106 5.760 13.656 -8.920 1.00 17.34 H new ATOM 0 HB2 ASN A 106 3.548 12.966 -9.638 1.00 17.95 H new ATOM 0 HB3 ASN A 106 3.424 14.374 -10.297 1.00 17.95 H new ATOM 0 HD21 ASN A 106 4.690 13.329 -13.180 1.00 23.59 H new ATOM 0 HD22 ASN A 106 3.654 14.135 -12.476 1.00 23.59 H new ATOM 714 N HIS A 107 5.963 16.394 -8.393 1.00 17.44 N ATOM 715 CA HIS A 107 6.624 17.701 -8.588 1.00 17.99 C ATOM 716 C HIS A 107 7.984 17.739 -7.841 1.00 16.72 C ATOM 717 O HIS A 107 8.033 17.650 -6.624 1.00 17.18 O ATOM 718 CB HIS A 107 5.748 18.853 -8.091 1.00 18.42 C ATOM 719 CG HIS A 107 4.557 19.133 -8.957 1.00 21.83 C ATOM 720 ND1 HIS A 107 3.386 19.667 -8.458 1.00 24.53 N ATOM 721 CD2 HIS A 107 4.353 18.947 -10.284 1.00 24.30 C ATOM 722 CE1 HIS A 107 2.509 19.780 -9.440 1.00 26.55 C ATOM 723 NE2 HIS A 107 3.077 19.363 -10.560 1.00 25.91 N ATOM 0 H HIS A 107 5.901 16.163 -7.567 1.00 17.44 H new ATOM 0 HA HIS A 107 6.770 17.810 -9.541 1.00 17.99 H new ATOM 0 HB2 HIS A 107 5.442 18.650 -7.193 1.00 18.42 H new ATOM 0 HB3 HIS A 107 6.289 19.656 -8.032 1.00 18.42 H new ATOM 0 HD2 HIS A 107 4.965 18.602 -10.893 1.00 24.30 H new ATOM 0 HE1 HIS A 107 1.639 20.099 -9.358 1.00 26.55 H new ATOM 0 HE2 HIS A 107 2.705 19.354 -11.336 1.00 25.91 H new ATOM 724 N TRP A 108 9.082 17.861 -8.562 1.00 15.25 N ATOM 725 CA TRP A 108 10.405 17.948 -7.928 1.00 14.33 C ATOM 726 C TRP A 108 10.366 18.628 -6.572 1.00 13.60 C ATOM 727 O TRP A 108 9.833 19.705 -6.442 1.00 12.86 O ATOM 728 CB TRP A 108 11.352 18.737 -8.791 1.00 13.62 C ATOM 729 CG TRP A 108 11.784 18.046 -9.978 1.00 12.75 C ATOM 730 CD1 TRP A 108 11.436 18.331 -11.252 1.00 12.60 C ATOM 731 CD2 TRP A 108 12.702 16.959 -10.042 1.00 12.94 C ATOM 732 NE1 TRP A 108 12.089 17.490 -12.119 1.00 14.05 N ATOM 733 CE2 TRP A 108 12.876 16.638 -11.397 1.00 13.29 C ATOM 734 CE3 TRP A 108 13.414 16.228 -9.090 1.00 11.68 C ATOM 735 CZ2 TRP A 108 13.702 15.616 -11.817 1.00 12.74 C ATOM 736 CZ3 TRP A 108 14.243 15.224 -9.514 1.00 10.16 C ATOM 737 CH2 TRP A 108 14.376 14.924 -10.856 1.00 11.66 C ATOM 0 H TRP A 108 9.094 17.896 -9.421 1.00 15.25 H new ATOM 0 HA TRP A 108 10.703 17.032 -7.816 1.00 14.33 H new ATOM 0 HB2 TRP A 108 10.922 19.567 -9.050 1.00 13.62 H new ATOM 0 HB3 TRP A 108 12.132 18.974 -8.265 1.00 13.62 H new ATOM 0 HD1 TRP A 108 10.841 18.999 -11.505 1.00 12.60 H new ATOM 0 HE1 TRP A 108 12.015 17.498 -12.976 1.00 14.05 H new ATOM 0 HE3 TRP A 108 13.327 16.419 -8.184 1.00 11.68 H new ATOM 0 HZ2 TRP A 108 13.795 15.408 -12.719 1.00 12.74 H new ATOM 0 HZ3 TRP A 108 14.725 14.735 -8.887 1.00 10.16 H new ATOM 0 HH2 TRP A 108 14.941 14.231 -11.110 1.00 11.66 H new ATOM 738 N THR A 109 10.958 17.984 -5.579 1.00 13.44 N ATOM 739 CA THR A 109 10.958 18.466 -4.228 1.00 13.43 C ATOM 740 C THR A 109 12.314 18.308 -3.581 1.00 13.88 C ATOM 741 O THR A 109 13.016 17.309 -3.802 1.00 13.41 O ATOM 742 CB THR A 109 9.973 17.657 -3.424 1.00 13.21 C ATOM 743 OG1 THR A 109 8.736 17.622 -4.124 1.00 14.45 O ATOM 744 CG2 THR A 109 9.643 18.354 -2.102 1.00 14.02 C ATOM 0 H THR A 109 11.377 17.240 -5.682 1.00 13.44 H new ATOM 0 HA THR A 109 10.723 19.407 -4.247 1.00 13.43 H new ATOM 0 HB THR A 109 10.364 16.781 -3.277 1.00 13.21 H new ATOM 0 HG1 THR A 109 8.859 17.311 -4.895 1.00 14.45 H new ATOM 0 HG21 THR A 109 9.009 17.817 -1.602 1.00 14.02 H new ATOM 0 HG22 THR A 109 10.455 18.463 -1.582 1.00 14.02 H new ATOM 0 HG23 THR A 109 9.256 19.225 -2.283 1.00 14.02 H new ATOM 745 N HIS A 110 12.662 19.277 -2.740 1.00 14.22 N ATOM 746 CA HIS A 110 13.942 19.251 -2.087 1.00 14.98 C ATOM 747 C HIS A 110 13.894 18.571 -0.697 1.00 15.07 C ATOM 748 O HIS A 110 12.889 18.689 0.067 1.00 12.81 O ATOM 749 CB HIS A 110 14.498 20.657 -1.971 1.00 15.11 C ATOM 750 CG HIS A 110 15.990 20.710 -1.943 1.00 17.58 C ATOM 751 ND1 HIS A 110 16.767 20.316 -3.012 1.00 21.25 N ATOM 752 CD2 HIS A 110 16.850 21.143 -0.992 1.00 19.30 C ATOM 753 CE1 HIS A 110 18.044 20.500 -2.717 1.00 21.96 C ATOM 754 NE2 HIS A 110 18.119 21.020 -1.504 1.00 21.66 N ATOM 0 H HIS A 110 12.167 19.951 -2.541 1.00 14.22 H new ATOM 0 HA HIS A 110 14.531 18.714 -2.639 1.00 14.98 H new ATOM 0 HB2 HIS A 110 14.177 21.186 -2.718 1.00 15.11 H new ATOM 0 HB3 HIS A 110 14.152 21.068 -1.163 1.00 15.11 H new ATOM 0 HD2 HIS A 110 16.624 21.464 -0.149 1.00 19.30 H new ATOM 0 HE1 HIS A 110 18.765 20.298 -3.269 1.00 21.96 H new ATOM 0 HE2 HIS A 110 18.845 21.245 -1.101 1.00 21.66 H new ATOM 755 N ILE A 111 15.007 17.861 -0.396 1.00 14.74 N ATOM 756 CA ILE A 111 15.184 17.228 0.895 1.00 14.44 C ATOM 757 C ILE A 111 16.512 17.661 1.380 1.00 14.98 C ATOM 758 O ILE A 111 17.421 17.708 0.584 1.00 15.93 O ATOM 759 CB ILE A 111 15.170 15.738 0.786 1.00 13.93 C ATOM 760 CG1 ILE A 111 13.838 15.268 0.234 1.00 12.78 C ATOM 761 CG2 ILE A 111 15.415 15.164 2.134 1.00 14.68 C ATOM 762 CD1 ILE A 111 13.817 13.853 -0.186 1.00 12.11 C ATOM 0 H ILE A 111 15.663 17.745 -0.940 1.00 14.74 H new ATOM 0 HA ILE A 111 14.463 17.480 1.493 1.00 14.44 H new ATOM 0 HB ILE A 111 15.865 15.441 0.178 1.00 13.93 H new ATOM 0 HG12 ILE A 111 13.155 15.404 0.909 1.00 12.78 H new ATOM 0 HG13 ILE A 111 13.601 15.823 -0.525 1.00 12.78 H new ATOM 0 HG21 ILE A 111 15.409 14.196 2.080 1.00 14.68 H new ATOM 0 HG22 ILE A 111 16.277 15.464 2.462 1.00 14.68 H new ATOM 0 HG23 ILE A 111 14.719 15.458 2.742 1.00 14.68 H new ATOM 0 HD11 ILE A 111 12.936 13.629 -0.526 1.00 12.11 H new ATOM 0 HD12 ILE A 111 14.477 13.712 -0.883 1.00 12.11 H new ATOM 0 HD13 ILE A 111 14.024 13.287 0.574 1.00 12.11 H new ATOM 763 N LYS A 112 16.624 17.963 2.674 1.00 15.68 N ATOM 764 CA LYS A 112 17.880 18.386 3.306 1.00 16.65 C ATOM 765 C LYS A 112 17.943 17.777 4.707 1.00 17.53 C ATOM 766 O LYS A 112 17.128 18.103 5.569 1.00 17.57 O ATOM 767 CB LYS A 112 17.930 19.895 3.361 1.00 16.46 C ATOM 768 CG LYS A 112 19.138 20.508 4.016 1.00 18.12 C ATOM 769 CD LYS A 112 19.031 22.064 4.049 1.00 19.14 C ATOM 770 CE LYS A 112 20.278 22.687 4.663 1.00 20.84 C ATOM 771 NZ LYS A 112 20.206 24.182 4.816 1.00 23.05 N ATOM 0 H LYS A 112 15.961 17.928 3.221 1.00 15.68 H new ATOM 0 HA LYS A 112 18.645 18.080 2.794 1.00 16.65 H new ATOM 0 HB2 LYS A 112 17.873 20.233 2.454 1.00 16.46 H new ATOM 0 HB3 LYS A 112 17.140 20.207 3.830 1.00 16.46 H new ATOM 0 HG2 LYS A 112 19.227 20.168 4.920 1.00 18.12 H new ATOM 0 HG3 LYS A 112 19.938 20.246 3.535 1.00 18.12 H new ATOM 0 HD2 LYS A 112 18.907 22.402 3.148 1.00 19.14 H new ATOM 0 HD3 LYS A 112 18.250 22.327 4.560 1.00 19.14 H new ATOM 0 HE2 LYS A 112 20.431 22.289 5.534 1.00 20.84 H new ATOM 0 HE3 LYS A 112 21.044 22.465 4.111 1.00 20.84 H new ATOM 0 HZ1 LYS A 112 20.962 24.480 5.179 1.00 23.05 H new ATOM 0 HZ2 LYS A 112 20.092 24.557 4.017 1.00 23.05 H new ATOM 0 HZ3 LYS A 112 19.521 24.394 5.343 1.00 23.05 H new ATOM 772 N ALA A 113 18.870 16.842 4.928 1.00 18.71 N ATOM 773 CA ALA A 113 18.947 16.173 6.230 1.00 19.20 C ATOM 774 C ALA A 113 20.336 15.999 6.754 1.00 19.33 C ATOM 775 O ALA A 113 21.298 15.855 5.993 1.00 20.04 O ATOM 776 CB ALA A 113 18.270 14.851 6.185 1.00 19.96 C ATOM 0 H ALA A 113 19.453 16.584 4.350 1.00 18.71 H new ATOM 0 HA ALA A 113 18.491 16.768 6.845 1.00 19.20 H new ATOM 0 HB1 ALA A 113 18.332 14.426 7.055 1.00 19.96 H new ATOM 0 HB2 ALA A 113 17.337 14.973 5.951 1.00 19.96 H new ATOM 0 HB3 ALA A 113 18.699 14.290 5.520 1.00 19.96 H new ATOM 777 N TYR A 114 20.455 16.084 8.073 1.00 19.12 N ATOM 778 CA TYR A 114 21.740 15.888 8.692 1.00 18.90 C ATOM 779 C TYR A 114 21.646 15.273 10.060 1.00 18.25 C ATOM 780 O TYR A 114 20.595 15.177 10.623 1.00 18.30 O ATOM 781 CB TYR A 114 22.560 17.181 8.700 1.00 19.18 C ATOM 782 CG TYR A 114 22.049 18.423 9.432 1.00 20.84 C ATOM 783 CD1 TYR A 114 21.234 19.360 8.796 1.00 22.35 C ATOM 784 CD2 TYR A 114 22.495 18.738 10.718 1.00 21.98 C ATOM 785 CE1 TYR A 114 20.830 20.544 9.453 1.00 20.74 C ATOM 786 CE2 TYR A 114 22.098 19.929 11.376 1.00 19.65 C ATOM 787 CZ TYR A 114 21.274 20.814 10.736 1.00 19.45 C ATOM 788 OH TYR A 114 20.884 21.972 11.371 1.00 19.08 O ATOM 0 H TYR A 114 19.809 16.252 8.615 1.00 19.12 H new ATOM 0 HA TYR A 114 22.214 15.243 8.144 1.00 18.90 H new ATOM 0 HB2 TYR A 114 23.429 16.966 9.074 1.00 19.18 H new ATOM 0 HB3 TYR A 114 22.704 17.434 7.775 1.00 19.18 H new ATOM 0 HD1 TYR A 114 20.952 19.202 7.924 1.00 22.35 H new ATOM 0 HD2 TYR A 114 23.068 18.150 11.154 1.00 21.98 H new ATOM 0 HE1 TYR A 114 20.264 21.143 9.022 1.00 20.74 H new ATOM 0 HE2 TYR A 114 22.396 20.108 12.239 1.00 19.65 H new ATOM 0 HH TYR A 114 21.227 22.001 12.137 1.00 19.08 H new ATOM 789 N ARG A 115 22.773 14.835 10.582 1.00 18.11 N ATOM 790 CA ARG A 115 22.818 14.253 11.902 1.00 17.82 C ATOM 791 C ARG A 115 24.094 14.686 12.558 1.00 17.05 C ATOM 792 O ARG A 115 25.146 14.488 11.981 1.00 17.44 O ATOM 793 CB ARG A 115 22.820 12.725 11.801 1.00 18.29 C ATOM 794 CG ARG A 115 22.931 11.985 13.157 1.00 17.76 C ATOM 795 CD ARG A 115 23.293 10.546 13.039 1.00 16.12 C ATOM 796 NE ARG A 115 24.594 10.359 12.388 1.00 15.43 N ATOM 797 CZ ARG A 115 25.779 10.360 13.015 1.00 16.87 C ATOM 798 NH1 ARG A 115 25.859 10.558 14.330 1.00 15.70 N ATOM 799 NH2 ARG A 115 26.901 10.171 12.324 1.00 17.09 N ATOM 0 H ARG A 115 23.533 14.867 10.181 1.00 18.11 H new ATOM 0 HA ARG A 115 22.045 14.541 12.413 1.00 17.82 H new ATOM 0 HB2 ARG A 115 22.005 12.442 11.358 1.00 18.29 H new ATOM 0 HB3 ARG A 115 23.560 12.452 11.236 1.00 18.29 H new ATOM 0 HG2 ARG A 115 23.596 12.432 13.704 1.00 17.76 H new ATOM 0 HG3 ARG A 115 22.084 12.058 13.624 1.00 17.76 H new ATOM 0 HD2 ARG A 115 23.313 10.145 13.922 1.00 16.12 H new ATOM 0 HD3 ARG A 115 22.609 10.082 12.532 1.00 16.12 H new ATOM 0 HE ARG A 115 24.597 10.239 11.536 1.00 15.43 H new ATOM 0 HH11 ARG A 115 25.144 10.688 14.790 1.00 15.70 H new ATOM 0 HH12 ARG A 115 26.626 10.556 14.719 1.00 15.70 H new ATOM 0 HH21 ARG A 115 26.867 10.048 11.474 1.00 17.09 H new ATOM 0 HH22 ARG A 115 27.660 10.172 12.728 1.00 17.09 H new ATOM 800 N VAL A 116 24.014 15.272 13.745 1.00 16.59 N ATOM 801 CA VAL A 116 25.228 15.642 14.471 1.00 17.31 C ATOM 802 C VAL A 116 25.238 14.825 15.759 1.00 17.40 C ATOM 803 O VAL A 116 24.586 15.188 16.715 1.00 17.59 O ATOM 804 CB VAL A 116 25.380 17.178 14.740 1.00 16.89 C ATOM 805 CG1 VAL A 116 26.723 17.484 15.295 1.00 16.54 C ATOM 806 CG2 VAL A 116 25.220 17.976 13.476 1.00 16.63 C ATOM 0 H VAL A 116 23.278 15.464 14.146 1.00 16.59 H new ATOM 0 HA VAL A 116 26.000 15.439 13.919 1.00 17.31 H new ATOM 0 HB VAL A 116 24.686 17.419 15.373 1.00 16.89 H new ATOM 0 HG11 VAL A 116 26.798 18.438 15.455 1.00 16.54 H new ATOM 0 HG12 VAL A 116 26.845 17.006 16.130 1.00 16.54 H new ATOM 0 HG13 VAL A 116 27.405 17.208 14.663 1.00 16.54 H new ATOM 0 HG21 VAL A 116 25.319 18.920 13.675 1.00 16.63 H new ATOM 0 HG22 VAL A 116 25.898 17.708 12.836 1.00 16.63 H new ATOM 0 HG23 VAL A 116 24.340 17.816 13.101 1.00 16.63 H new ATOM 807 N GLN A 117 26.005 13.729 15.758 1.00 17.55 N ATOM 808 CA GLN A 117 26.061 12.809 16.875 1.00 17.31 C ATOM 809 C GLN A 117 24.678 12.196 17.030 1.00 16.78 C ATOM 810 O GLN A 117 24.346 11.240 16.340 1.00 16.67 O ATOM 811 CB GLN A 117 26.478 13.500 18.176 1.00 17.81 C ATOM 812 CG GLN A 117 27.943 13.869 18.290 1.00 18.55 C ATOM 813 CD GLN A 117 28.398 14.011 19.747 1.00 19.41 C ATOM 814 OE1 GLN A 117 27.602 13.492 20.675 1.00 21.15 O flip ATOM 815 NE2 GLN A 117 29.461 14.563 20.018 1.00 19.40 N flip ATOM 0 H GLN A 117 26.509 13.505 15.098 1.00 17.55 H new ATOM 0 HA GLN A 117 26.731 12.131 16.696 1.00 17.31 H new ATOM 0 HB2 GLN A 117 25.950 14.308 18.276 1.00 17.81 H new ATOM 0 HB3 GLN A 117 26.250 12.918 18.918 1.00 17.81 H new ATOM 0 HG2 GLN A 117 28.480 13.191 17.851 1.00 18.55 H new ATOM 0 HG3 GLN A 117 28.101 14.704 17.822 1.00 18.55 H new ATOM 0 HE21 GLN A 117 29.950 14.887 19.389 1.00 19.40 H new ATOM 0 HE22 GLN A 117 29.717 14.625 20.837 1.00 19.40 H new ATOM 816 N ARG A 118 23.859 12.752 17.919 1.00 16.15 N ATOM 817 CA ARG A 118 22.545 12.187 18.180 1.00 15.85 C ATOM 818 C ARG A 118 21.447 13.081 17.654 1.00 15.63 C ATOM 819 O ARG A 118 20.299 12.659 17.584 1.00 15.70 O ATOM 820 CB ARG A 118 22.314 11.991 19.677 1.00 16.09 C ATOM 821 CG ARG A 118 23.235 11.026 20.402 1.00 16.24 C ATOM 822 CD ARG A 118 23.310 11.357 21.890 1.00 17.17 C ATOM 823 NE ARG A 118 22.005 11.291 22.584 1.00 17.34 N ATOM 824 CZ ARG A 118 21.673 12.068 23.610 1.00 16.12 C ATOM 825 NH1 ARG A 118 22.507 12.994 24.052 1.00 17.95 N ATOM 826 NH2 ARG A 118 20.524 11.926 24.206 1.00 14.90 N ATOM 0 H ARG A 118 24.047 13.454 18.379 1.00 16.15 H new ATOM 0 HA ARG A 118 22.519 11.331 17.725 1.00 15.85 H new ATOM 0 HB2 ARG A 118 22.387 12.857 20.108 1.00 16.09 H new ATOM 0 HB3 ARG A 118 21.401 11.687 19.803 1.00 16.09 H new ATOM 0 HG2 ARG A 118 22.915 10.118 20.285 1.00 16.24 H new ATOM 0 HG3 ARG A 118 24.123 11.066 20.013 1.00 16.24 H new ATOM 0 HD2 ARG A 118 23.926 10.742 22.319 1.00 17.17 H new ATOM 0 HD3 ARG A 118 23.678 12.248 21.996 1.00 17.17 H new ATOM 0 HE ARG A 118 21.428 10.717 22.308 1.00 17.34 H new ATOM 0 HH11 ARG A 118 23.273 13.098 23.675 1.00 17.95 H new ATOM 0 HH12 ARG A 118 22.284 13.492 24.716 1.00 17.95 H new ATOM 0 HH21 ARG A 118 19.971 11.325 23.937 1.00 14.90 H new ATOM 0 HH22 ARG A 118 20.318 12.433 24.869 1.00 14.90 H new ATOM 827 N GLU A 119 21.779 14.311 17.283 1.00 15.28 N ATOM 828 CA GLU A 119 20.760 15.234 16.812 1.00 15.44 C ATOM 829 C GLU A 119 20.596 15.173 15.307 1.00 15.37 C ATOM 830 O GLU A 119 21.565 15.032 14.600 1.00 15.82 O ATOM 831 CB GLU A 119 21.095 16.651 17.216 1.00 15.30 C ATOM 832 CG GLU A 119 21.312 16.862 18.703 1.00 16.76 C ATOM 833 CD GLU A 119 21.392 18.352 19.081 1.00 17.96 C ATOM 834 OE1 GLU A 119 20.316 18.995 19.112 1.00 15.96 O ATOM 835 OE2 GLU A 119 22.511 18.883 19.361 1.00 17.28 O ATOM 0 H GLU A 119 22.579 14.627 17.296 1.00 15.28 H new ATOM 0 HA GLU A 119 19.924 14.965 17.224 1.00 15.44 H new ATOM 0 HB2 GLU A 119 21.897 16.926 16.744 1.00 15.30 H new ATOM 0 HB3 GLU A 119 20.378 17.235 16.922 1.00 15.30 H new ATOM 0 HG2 GLU A 119 20.588 16.445 19.195 1.00 16.76 H new ATOM 0 HG3 GLU A 119 22.131 16.418 18.974 1.00 16.76 H new ATOM 836 N GLY A 120 19.368 15.287 14.814 1.00 15.28 N ATOM 837 CA GLY A 120 19.145 15.275 13.383 1.00 15.27 C ATOM 838 C GLY A 120 18.049 16.236 13.015 1.00 15.17 C ATOM 839 O GLY A 120 17.256 16.602 13.860 1.00 15.74 O ATOM 0 H GLY A 120 18.657 15.372 15.291 1.00 15.28 H new ATOM 0 HA2 GLY A 120 19.963 15.516 12.920 1.00 15.27 H new ATOM 0 HA3 GLY A 120 18.909 14.380 13.094 1.00 15.27 H new ATOM 840 N SER A 121 18.014 16.688 11.771 1.00 14.97 N ATOM 841 CA SER A 121 16.931 17.557 11.326 1.00 14.63 C ATOM 842 C SER A 121 16.458 17.053 9.972 1.00 14.45 C ATOM 843 O SER A 121 17.118 16.219 9.348 1.00 14.37 O ATOM 844 CB SER A 121 17.389 19.000 11.211 1.00 14.70 C ATOM 845 OG SER A 121 18.239 19.158 10.091 1.00 15.12 O ATOM 0 H SER A 121 18.602 16.506 11.170 1.00 14.97 H new ATOM 0 HA SER A 121 16.211 17.535 11.975 1.00 14.63 H new ATOM 0 HB2 SER A 121 16.619 19.584 11.126 1.00 14.70 H new ATOM 0 HB3 SER A 121 17.856 19.263 12.019 1.00 14.70 H new ATOM 0 HG SER A 121 18.905 19.622 10.308 1.00 15.12 H new ATOM 846 N LEU A 122 15.308 17.541 9.528 1.00 14.23 N ATOM 847 CA LEU A 122 14.765 17.149 8.242 1.00 14.17 C ATOM 848 C LEU A 122 13.915 18.273 7.692 1.00 14.71 C ATOM 849 O LEU A 122 13.163 18.900 8.428 1.00 14.74 O ATOM 850 CB LEU A 122 13.939 15.878 8.359 1.00 13.55 C ATOM 851 CG LEU A 122 13.348 15.338 7.053 1.00 12.73 C ATOM 852 CD1 LEU A 122 14.365 15.089 5.971 1.00 13.95 C ATOM 853 CD2 LEU A 122 12.625 14.034 7.347 1.00 13.56 C ATOM 0 H LEU A 122 14.825 18.105 9.962 1.00 14.23 H new ATOM 0 HA LEU A 122 15.502 16.970 7.637 1.00 14.17 H new ATOM 0 HB2 LEU A 122 14.495 15.187 8.751 1.00 13.55 H new ATOM 0 HB3 LEU A 122 13.211 16.042 8.979 1.00 13.55 H new ATOM 0 HG LEU A 122 12.749 16.024 6.718 1.00 12.73 H new ATOM 0 HD11 LEU A 122 13.919 14.750 5.179 1.00 13.95 H new ATOM 0 HD12 LEU A 122 14.819 15.919 5.756 1.00 13.95 H new ATOM 0 HD13 LEU A 122 15.014 14.437 6.280 1.00 13.95 H new ATOM 0 HD21 LEU A 122 12.246 13.682 6.527 1.00 13.56 H new ATOM 0 HD22 LEU A 122 13.252 13.392 7.715 1.00 13.56 H new ATOM 0 HD23 LEU A 122 11.915 14.195 7.988 1.00 13.56 H new ATOM 854 N GLN A 123 14.076 18.560 6.408 1.00 15.33 N ATOM 855 CA GLN A 123 13.308 19.600 5.778 1.00 15.97 C ATOM 856 C GLN A 123 12.913 19.235 4.367 1.00 15.69 C ATOM 857 O GLN A 123 13.715 19.113 3.459 1.00 15.96 O ATOM 858 CB GLN A 123 14.104 20.911 5.767 1.00 17.34 C ATOM 859 CG GLN A 123 13.334 22.121 5.145 1.00 18.32 C ATOM 860 CD GLN A 123 13.728 23.421 5.777 1.00 19.15 C ATOM 861 OE1 GLN A 123 14.916 23.472 6.319 1.00 22.28 O flip ATOM 862 NE2 GLN A 123 12.970 24.366 5.766 1.00 20.51 N flip ATOM 0 H GLN A 123 14.630 18.157 5.888 1.00 15.33 H new ATOM 0 HA GLN A 123 12.495 19.713 6.295 1.00 15.97 H new ATOM 0 HB2 GLN A 123 14.355 21.133 6.677 1.00 17.34 H new ATOM 0 HB3 GLN A 123 14.927 20.774 5.271 1.00 17.34 H new ATOM 0 HG2 GLN A 123 13.509 22.159 4.192 1.00 18.32 H new ATOM 0 HG3 GLN A 123 12.380 21.986 5.253 1.00 18.32 H new ATOM 0 HE21 GLN A 123 12.196 24.292 5.399 1.00 20.51 H new ATOM 0 HE22 GLN A 123 13.206 25.111 6.125 1.00 20.51 H new ATOM 863 N VAL A 124 11.642 19.082 4.172 1.00 15.75 N ATOM 864 CA VAL A 124 11.156 18.801 2.858 1.00 15.83 C ATOM 865 C VAL A 124 10.476 20.083 2.439 1.00 15.48 C ATOM 866 O VAL A 124 9.470 20.501 3.061 1.00 15.85 O ATOM 867 CB VAL A 124 10.152 17.640 2.872 1.00 15.76 C ATOM 868 CG1 VAL A 124 9.667 17.332 1.440 1.00 15.85 C ATOM 869 CG2 VAL A 124 10.784 16.434 3.499 1.00 15.80 C ATOM 0 H VAL A 124 11.040 19.136 4.783 1.00 15.75 H new ATOM 0 HA VAL A 124 11.865 18.533 2.253 1.00 15.83 H new ATOM 0 HB VAL A 124 9.378 17.892 3.400 1.00 15.76 H new ATOM 0 HG11 VAL A 124 9.034 16.597 1.464 1.00 15.85 H new ATOM 0 HG12 VAL A 124 9.236 18.118 1.068 1.00 15.85 H new ATOM 0 HG13 VAL A 124 10.425 17.087 0.887 1.00 15.85 H new ATOM 0 HG21 VAL A 124 10.148 15.702 3.507 1.00 15.80 H new ATOM 0 HG22 VAL A 124 11.567 16.176 2.988 1.00 15.80 H new ATOM 0 HG23 VAL A 124 11.047 16.643 4.409 1.00 15.80 H new ATOM 870 N GLY A 125 11.014 20.702 1.399 1.00 14.44 N ATOM 871 CA GLY A 125 10.457 21.925 0.900 1.00 14.40 C ATOM 872 C GLY A 125 10.962 23.094 1.717 1.00 14.56 C ATOM 873 O GLY A 125 12.156 23.232 1.892 1.00 15.08 O ATOM 0 H GLY A 125 11.706 20.421 0.972 1.00 14.44 H new ATOM 0 HA2 GLY A 125 10.699 22.043 -0.032 1.00 14.40 H new ATOM 0 HA3 GLY A 125 9.488 21.888 0.939 1.00 14.40 H new ATOM 874 N ASN A 126 10.045 23.910 2.234 1.00 14.22 N ATOM 875 CA ASN A 126 10.374 25.085 3.020 1.00 13.98 C ATOM 876 C ASN A 126 9.813 24.946 4.454 1.00 14.20 C ATOM 877 O ASN A 126 10.000 25.807 5.320 1.00 14.73 O ATOM 878 CB ASN A 126 9.790 26.329 2.346 1.00 14.08 C ATOM 879 CG ASN A 126 10.457 26.654 1.021 1.00 14.24 C ATOM 880 OD1 ASN A 126 11.653 27.015 0.973 1.00 17.70 O ATOM 881 ND2 ASN A 126 9.689 26.572 -0.063 1.00 11.97 N ATOM 0 H ASN A 126 9.200 23.789 2.133 1.00 14.22 H new ATOM 0 HA ASN A 126 11.339 25.171 3.074 1.00 13.98 H new ATOM 0 HB2 ASN A 126 8.840 26.196 2.200 1.00 14.08 H new ATOM 0 HB3 ASN A 126 9.882 27.088 2.943 1.00 14.08 H new ATOM 0 HD21 ASN A 126 10.012 26.771 -0.835 1.00 11.97 H new ATOM 0 HD22 ASN A 126 8.870 26.320 0.008 1.00 11.97 H new ATOM 882 N GLU A 127 9.085 23.870 4.706 1.00 13.62 N ATOM 883 CA GLU A 127 8.579 23.620 6.033 1.00 12.84 C ATOM 884 C GLU A 127 9.634 23.833 7.111 1.00 12.31 C ATOM 885 O GLU A 127 10.794 23.958 6.836 1.00 10.45 O ATOM 886 CB GLU A 127 8.146 22.177 6.098 1.00 13.07 C ATOM 887 CG GLU A 127 9.274 21.214 6.381 1.00 12.88 C ATOM 888 CD GLU A 127 8.794 19.786 6.585 1.00 15.84 C ATOM 889 OE1 GLU A 127 7.751 19.560 7.285 1.00 16.71 O ATOM 890 OE2 GLU A 127 9.462 18.868 6.039 1.00 17.78 O ATOM 0 H GLU A 127 8.875 23.276 4.121 1.00 13.62 H new ATOM 0 HA GLU A 127 7.851 24.240 6.196 1.00 12.84 H new ATOM 0 HB2 GLU A 127 7.470 22.082 6.787 1.00 13.07 H new ATOM 0 HB3 GLU A 127 7.729 21.935 5.256 1.00 13.07 H new ATOM 0 HG2 GLU A 127 9.905 21.236 5.645 1.00 12.88 H new ATOM 0 HG3 GLU A 127 9.752 21.506 7.173 1.00 12.88 H new ATOM 891 N ALA A 128 9.198 23.839 8.359 1.00 12.72 N ATOM 892 CA ALA A 128 10.106 23.955 9.485 1.00 12.53 C ATOM 893 C ALA A 128 10.788 22.625 9.655 1.00 12.54 C ATOM 894 O ALA A 128 10.127 21.609 9.646 1.00 12.43 O ATOM 895 CB ALA A 128 9.325 24.268 10.716 1.00 12.71 C ATOM 0 H ALA A 128 8.369 23.776 8.577 1.00 12.72 H new ATOM 0 HA ALA A 128 10.756 24.659 9.333 1.00 12.53 H new ATOM 0 HB1 ALA A 128 9.929 24.346 11.471 1.00 12.71 H new ATOM 0 HB2 ALA A 128 8.850 25.105 10.594 1.00 12.71 H new ATOM 0 HB3 ALA A 128 8.688 23.557 10.885 1.00 12.71 H new ATOM 896 N PRO A 129 12.108 22.616 9.781 1.00 13.08 N ATOM 897 CA PRO A 129 12.870 21.382 9.953 1.00 13.10 C ATOM 898 C PRO A 129 12.499 20.583 11.144 1.00 13.45 C ATOM 899 O PRO A 129 12.328 21.144 12.208 1.00 13.73 O ATOM 900 CB PRO A 129 14.253 21.903 10.126 1.00 13.15 C ATOM 901 CG PRO A 129 14.260 23.086 9.289 1.00 12.15 C ATOM 902 CD PRO A 129 13.019 23.761 9.643 1.00 13.20 C ATOM 0 HA PRO A 129 12.724 20.775 9.210 1.00 13.10 H new ATOM 0 HB2 PRO A 129 14.443 22.117 11.053 1.00 13.15 H new ATOM 0 HB3 PRO A 129 14.919 21.257 9.842 1.00 13.15 H new ATOM 0 HG2 PRO A 129 15.033 23.644 9.466 1.00 12.15 H new ATOM 0 HG3 PRO A 129 14.286 22.857 8.347 1.00 12.15 H new ATOM 0 HD2 PRO A 129 13.099 24.268 10.466 1.00 13.20 H new ATOM 0 HD3 PRO A 129 12.729 24.380 8.955 1.00 13.20 H new ATOM 903 N ILE A 130 12.378 19.282 10.955 1.00 13.99 N ATOM 904 CA ILE A 130 11.958 18.400 12.020 1.00 14.86 C ATOM 905 C ILE A 130 13.193 17.980 12.703 1.00 14.85 C ATOM 906 O ILE A 130 14.081 17.469 12.037 1.00 15.94 O ATOM 907 CB ILE A 130 11.310 17.130 11.467 1.00 15.27 C ATOM 908 CG1 ILE A 130 10.101 17.451 10.599 1.00 16.42 C ATOM 909 CG2 ILE A 130 10.926 16.208 12.617 1.00 15.68 C ATOM 910 CD1 ILE A 130 8.968 18.111 11.364 1.00 18.05 C ATOM 0 H ILE A 130 12.537 18.888 10.207 1.00 13.99 H new ATOM 0 HA ILE A 130 11.321 18.856 12.593 1.00 14.86 H new ATOM 0 HB ILE A 130 11.955 16.678 10.901 1.00 15.27 H new ATOM 0 HG12 ILE A 130 10.377 18.035 9.875 1.00 16.42 H new ATOM 0 HG13 ILE A 130 9.775 16.632 10.194 1.00 16.42 H new ATOM 0 HG21 ILE A 130 10.515 15.403 12.264 1.00 15.68 H new ATOM 0 HG22 ILE A 130 11.720 15.971 13.121 1.00 15.68 H new ATOM 0 HG23 ILE A 130 10.298 16.662 13.200 1.00 15.68 H new ATOM 0 HD11 ILE A 130 8.230 18.290 10.760 1.00 18.05 H new ATOM 0 HD12 ILE A 130 8.669 17.520 12.073 1.00 18.05 H new ATOM 0 HD13 ILE A 130 9.280 18.945 11.749 1.00 18.05 H new ATOM 911 N THR A 131 13.246 18.100 14.023 1.00 14.66 N ATOM 912 CA THR A 131 14.444 17.697 14.755 1.00 14.15 C ATOM 913 C THR A 131 14.205 16.624 15.819 1.00 13.95 C ATOM 914 O THR A 131 13.089 16.420 16.294 1.00 14.13 O ATOM 915 CB THR A 131 14.984 18.890 15.437 1.00 14.05 C ATOM 916 OG1 THR A 131 13.894 19.595 16.002 1.00 12.43 O ATOM 917 CG2 THR A 131 15.566 19.856 14.450 1.00 14.83 C ATOM 0 H THR A 131 12.609 18.408 14.511 1.00 14.66 H new ATOM 0 HA THR A 131 15.052 17.316 14.102 1.00 14.15 H new ATOM 0 HB THR A 131 15.648 18.593 16.078 1.00 14.05 H new ATOM 0 HG1 THR A 131 14.178 20.279 16.398 1.00 12.43 H new ATOM 0 HG21 THR A 131 15.914 20.630 14.921 1.00 14.83 H new ATOM 0 HG22 THR A 131 16.285 19.426 13.961 1.00 14.83 H new ATOM 0 HG23 THR A 131 14.877 20.139 13.829 1.00 14.83 H new ATOM 918 N GLY A 132 15.275 15.970 16.229 1.00 13.47 N ATOM 919 CA GLY A 132 15.181 14.977 17.263 1.00 13.57 C ATOM 920 C GLY A 132 16.545 14.466 17.611 1.00 13.94 C ATOM 921 O GLY A 132 17.540 15.004 17.165 1.00 13.96 O ATOM 0 H GLY A 132 16.067 16.091 15.916 1.00 13.47 H new ATOM 0 HA2 GLY A 132 14.760 15.358 18.050 1.00 13.57 H new ATOM 0 HA3 GLY A 132 14.619 14.244 16.967 1.00 13.57 H new ATOM 922 N SER A 133 16.590 13.380 18.362 1.00 14.80 N ATOM 923 CA SER A 133 17.860 12.759 18.715 1.00 15.20 C ATOM 924 C SER A 133 17.661 11.328 19.294 1.00 15.74 C ATOM 925 O SER A 133 16.784 11.098 20.145 1.00 14.67 O ATOM 926 CB SER A 133 18.598 13.675 19.685 1.00 15.13 C ATOM 927 OG SER A 133 17.663 14.317 20.559 1.00 15.15 O ATOM 0 H SER A 133 15.896 12.983 18.680 1.00 14.80 H new ATOM 0 HA SER A 133 18.398 12.647 17.916 1.00 15.20 H new ATOM 0 HB2 SER A 133 19.237 13.162 20.204 1.00 15.13 H new ATOM 0 HB3 SER A 133 19.102 14.341 19.192 1.00 15.13 H new ATOM 0 HG SER A 133 18.076 14.819 21.091 1.00 15.15 H new ATOM 928 N SER A 134 18.467 10.378 18.811 1.00 16.44 N ATOM 929 CA SER A 134 18.378 9.006 19.261 1.00 17.56 C ATOM 930 C SER A 134 18.640 8.917 20.751 1.00 18.32 C ATOM 931 O SER A 134 19.177 9.843 21.348 1.00 18.36 O ATOM 932 CB SER A 134 19.339 8.094 18.513 1.00 17.55 C ATOM 933 OG SER A 134 20.693 8.324 18.865 1.00 19.94 O ATOM 0 H SER A 134 19.073 10.519 18.218 1.00 16.44 H new ATOM 0 HA SER A 134 17.476 8.704 19.073 1.00 17.56 H new ATOM 0 HB2 SER A 134 19.113 7.169 18.698 1.00 17.55 H new ATOM 0 HB3 SER A 134 19.229 8.227 17.558 1.00 17.55 H new ATOM 0 HG SER A 134 21.061 7.593 19.056 1.00 19.94 H new ATOM 934 N PRO A 135 18.205 7.817 21.357 1.00 19.49 N ATOM 935 CA PRO A 135 18.376 7.596 22.787 1.00 20.13 C ATOM 936 C PRO A 135 19.797 7.754 23.223 1.00 20.29 C ATOM 937 O PRO A 135 20.640 7.390 22.458 1.00 20.33 O ATOM 938 CB PRO A 135 17.924 6.150 22.939 1.00 20.18 C ATOM 939 CG PRO A 135 16.872 6.059 21.982 1.00 19.65 C ATOM 940 CD PRO A 135 17.423 6.720 20.760 1.00 19.46 C ATOM 0 HA PRO A 135 17.883 8.232 23.329 1.00 20.13 H new ATOM 0 HB2 PRO A 135 18.641 5.525 22.749 1.00 20.18 H new ATOM 0 HB3 PRO A 135 17.613 5.961 23.838 1.00 20.18 H new ATOM 0 HG2 PRO A 135 16.632 5.136 21.807 1.00 19.65 H new ATOM 0 HG3 PRO A 135 16.070 6.506 22.295 1.00 19.65 H new ATOM 0 HD2 PRO A 135 17.976 6.119 20.236 1.00 19.46 H new ATOM 0 HD3 PRO A 135 16.723 7.046 20.173 1.00 19.46 H new ATOM 941 N LEU A 136 20.024 8.288 24.418 1.00 20.99 N ATOM 942 CA LEU A 136 21.370 8.531 24.946 1.00 21.19 C ATOM 943 C LEU A 136 22.161 7.262 24.850 1.00 21.19 C ATOM 944 O LEU A 136 21.658 6.167 25.123 1.00 20.83 O ATOM 945 CB LEU A 136 21.325 8.945 26.421 1.00 21.99 C ATOM 946 CG LEU A 136 22.231 10.070 26.924 1.00 21.48 C ATOM 947 CD1 LEU A 136 22.343 10.062 28.429 1.00 21.89 C ATOM 948 CD2 LEU A 136 23.521 9.912 26.365 1.00 23.08 C ATOM 0 H LEU A 136 19.395 8.524 24.955 1.00 20.99 H new ATOM 0 HA LEU A 136 21.774 9.245 24.428 1.00 21.19 H new ATOM 0 HB2 LEU A 136 20.411 9.198 26.622 1.00 21.99 H new ATOM 0 HB3 LEU A 136 21.524 8.156 26.949 1.00 21.99 H new ATOM 0 HG LEU A 136 21.841 10.916 26.653 1.00 21.48 H new ATOM 0 HD11 LEU A 136 22.923 10.785 28.714 1.00 21.89 H new ATOM 0 HD12 LEU A 136 21.463 10.180 28.820 1.00 21.89 H new ATOM 0 HD13 LEU A 136 22.715 9.215 28.721 1.00 21.89 H new ATOM 0 HD21 LEU A 136 24.100 10.623 26.681 1.00 23.08 H new ATOM 0 HD22 LEU A 136 23.887 9.055 26.633 1.00 23.08 H new ATOM 0 HD23 LEU A 136 23.461 9.950 25.398 1.00 23.08 H new ATOM 949 N GLY A 137 23.404 7.408 24.429 1.00 21.31 N ATOM 950 CA GLY A 137 24.264 6.265 24.257 1.00 21.46 C ATOM 951 C GLY A 137 25.194 6.559 23.119 1.00 21.56 C ATOM 952 O GLY A 137 25.867 7.578 23.116 1.00 21.71 O ATOM 0 H GLY A 137 23.766 8.164 24.238 1.00 21.31 H new ATOM 0 HA2 GLY A 137 24.765 6.091 25.069 1.00 21.46 H new ATOM 0 HA3 GLY A 137 23.740 5.470 24.071 1.00 21.46 H new ATOM 953 N ALA A 138 25.230 5.683 22.133 1.00 21.94 N ATOM 954 CA ALA A 138 26.104 5.907 20.976 1.00 22.25 C ATOM 955 C ALA A 138 25.953 7.303 20.387 1.00 21.97 C ATOM 956 O ALA A 138 24.985 7.987 20.605 1.00 22.83 O ATOM 957 CB ALA A 138 25.824 4.869 19.901 1.00 22.53 C ATOM 0 H ALA A 138 24.767 4.959 22.105 1.00 21.94 H new ATOM 0 HA ALA A 138 27.017 5.822 21.293 1.00 22.25 H new ATOM 0 HB1 ALA A 138 26.406 5.025 19.141 1.00 22.53 H new ATOM 0 HB2 ALA A 138 25.989 3.982 20.257 1.00 22.53 H new ATOM 0 HB3 ALA A 138 24.899 4.937 19.618 1.00 22.53 H new ATOM 958 N THR A 139 26.930 7.718 19.623 1.00 22.17 N ATOM 959 CA THR A 139 26.883 9.009 18.980 1.00 21.98 C ATOM 960 C THR A 139 27.538 8.918 17.620 1.00 22.16 C ATOM 961 O THR A 139 27.466 9.866 16.849 1.00 22.71 O ATOM 962 CB THR A 139 27.653 10.014 19.781 1.00 21.97 C ATOM 963 OG1 THR A 139 28.955 9.486 20.028 1.00 19.85 O ATOM 964 CG2 THR A 139 27.037 10.221 21.156 1.00 22.69 C ATOM 0 H THR A 139 27.641 7.263 19.460 1.00 22.17 H new ATOM 0 HA THR A 139 25.954 9.278 18.903 1.00 21.98 H new ATOM 0 HB THR A 139 27.659 10.846 19.282 1.00 21.97 H new ATOM 0 HG1 THR A 139 29.401 10.039 20.476 1.00 19.85 H new ATOM 0 HG21 THR A 139 27.557 10.875 21.649 1.00 22.69 H new ATOM 0 HG22 THR A 139 26.126 10.540 21.058 1.00 22.69 H new ATOM 0 HG23 THR A 139 27.035 9.380 21.640 1.00 22.69 H new ATOM 965 N GLN A 140 28.149 7.781 17.305 1.00 21.79 N ATOM 966 CA GLN A 140 28.791 7.640 16.026 1.00 21.72 C ATOM 967 C GLN A 140 28.242 6.500 15.194 1.00 21.88 C ATOM 968 O GLN A 140 27.918 5.419 15.723 1.00 21.47 O ATOM 969 CB GLN A 140 30.246 7.437 16.248 1.00 21.83 C ATOM 970 CG GLN A 140 30.903 8.614 16.932 1.00 22.86 C ATOM 971 CD GLN A 140 32.379 8.424 17.000 1.00 21.60 C ATOM 972 OE1 GLN A 140 33.144 9.317 16.366 1.00 23.07 O flip ATOM 973 NE2 GLN A 140 32.823 7.435 17.565 1.00 19.33 N flip ATOM 0 H GLN A 140 28.198 7.092 17.817 1.00 21.79 H new ATOM 0 HA GLN A 140 28.616 8.452 15.524 1.00 21.72 H new ATOM 0 HB2 GLN A 140 30.379 6.640 16.785 1.00 21.83 H new ATOM 0 HB3 GLN A 140 30.680 7.280 15.395 1.00 21.83 H new ATOM 0 HG2 GLN A 140 30.699 9.430 16.449 1.00 22.86 H new ATOM 0 HG3 GLN A 140 30.543 8.716 17.827 1.00 22.86 H new ATOM 0 HE21 GLN A 140 32.288 6.889 17.960 1.00 19.33 H new ATOM 0 HE22 GLN A 140 33.670 7.285 17.568 1.00 19.33 H new ATOM 974 N LEU A 141 28.136 6.748 13.885 1.00 21.86 N ATOM 975 CA LEU A 141 27.625 5.745 12.956 1.00 22.26 C ATOM 976 C LEU A 141 28.716 4.841 12.412 1.00 22.01 C ATOM 977 O LEU A 141 29.469 5.236 11.554 1.00 21.89 O ATOM 978 CB LEU A 141 26.902 6.416 11.788 1.00 22.34 C ATOM 979 CG LEU A 141 25.998 5.485 10.964 1.00 23.19 C ATOM 980 CD1 LEU A 141 24.896 6.277 10.307 1.00 25.02 C ATOM 981 CD2 LEU A 141 26.750 4.739 9.931 1.00 24.35 C ATOM 0 H LEU A 141 28.356 7.494 13.518 1.00 21.86 H new ATOM 0 HA LEU A 141 27.006 5.194 13.461 1.00 22.26 H new ATOM 0 HB2 LEU A 141 26.363 7.145 12.134 1.00 22.34 H new ATOM 0 HB3 LEU A 141 27.564 6.808 11.197 1.00 22.34 H new ATOM 0 HG LEU A 141 25.621 4.838 11.581 1.00 23.19 H new ATOM 0 HD11 LEU A 141 24.332 5.680 9.790 1.00 25.02 H new ATOM 0 HD12 LEU A 141 24.363 6.716 10.988 1.00 25.02 H new ATOM 0 HD13 LEU A 141 25.283 6.945 9.720 1.00 25.02 H new ATOM 0 HD21 LEU A 141 26.142 4.167 9.438 1.00 24.35 H new ATOM 0 HD22 LEU A 141 27.170 5.365 9.321 1.00 24.35 H new ATOM 0 HD23 LEU A 141 27.432 4.195 10.356 1.00 24.35 H new ATOM 982 N ASP A 142 28.779 3.610 12.885 1.00 22.04 N ATOM 983 CA ASP A 142 29.783 2.691 12.388 1.00 22.26 C ATOM 984 C ASP A 142 29.429 2.197 10.978 1.00 21.80 C ATOM 985 O ASP A 142 28.310 1.742 10.720 1.00 22.30 O ATOM 986 CB ASP A 142 29.966 1.513 13.356 1.00 22.73 C ATOM 987 CG ASP A 142 30.787 1.881 14.601 1.00 23.19 C ATOM 988 OD1 ASP A 142 30.227 2.121 15.675 1.00 23.34 O ATOM 989 OD2 ASP A 142 32.024 1.921 14.598 1.00 28.14 O ATOM 0 H ASP A 142 28.256 3.289 13.488 1.00 22.04 H new ATOM 0 HA ASP A 142 30.626 3.167 12.330 1.00 22.26 H new ATOM 0 HB2 ASP A 142 29.094 1.190 13.633 1.00 22.73 H new ATOM 0 HB3 ASP A 142 30.404 0.783 12.890 1.00 22.73 H new ATOM 990 N THR A 143 30.387 2.279 10.062 1.00 21.09 N ATOM 991 CA THR A 143 30.140 1.850 8.695 1.00 20.14 C ATOM 992 C THR A 143 31.409 1.754 7.880 1.00 19.07 C ATOM 993 O THR A 143 32.468 2.220 8.273 1.00 18.88 O ATOM 994 CB THR A 143 29.154 2.843 8.023 1.00 20.08 C ATOM 995 OG1 THR A 143 29.113 2.628 6.604 1.00 18.91 O ATOM 996 CG2 THR A 143 29.657 4.277 8.193 1.00 20.48 C ATOM 0 H THR A 143 31.180 2.578 10.211 1.00 21.09 H new ATOM 0 HA THR A 143 29.757 0.959 8.728 1.00 20.14 H new ATOM 0 HB THR A 143 28.287 2.705 8.435 1.00 20.08 H new ATOM 0 HG1 THR A 143 28.575 3.170 6.254 1.00 18.91 H new ATOM 0 HG21 THR A 143 29.036 4.890 7.771 1.00 20.48 H new ATOM 0 HG22 THR A 143 29.725 4.486 9.138 1.00 20.48 H new ATOM 0 HG23 THR A 143 30.530 4.365 7.779 1.00 20.48 H new ATOM 997 N ASP A 144 31.277 1.153 6.715 1.00 18.40 N ATOM 998 CA ASP A 144 32.384 1.009 5.793 1.00 17.60 C ATOM 999 C ASP A 144 32.219 1.976 4.648 1.00 16.90 C ATOM 1000 O ASP A 144 32.966 1.914 3.672 1.00 17.23 O ATOM 1001 CB ASP A 144 32.402 -0.394 5.234 1.00 17.82 C ATOM 1002 CG ASP A 144 31.131 -0.743 4.545 1.00 18.22 C ATOM 1003 OD1 ASP A 144 31.028 -1.866 4.036 1.00 20.99 O ATOM 1004 OD2 ASP A 144 30.175 0.034 4.459 1.00 20.81 O ATOM 0 H ASP A 144 30.538 0.814 6.434 1.00 18.40 H new ATOM 0 HA ASP A 144 33.211 1.190 6.266 1.00 17.60 H new ATOM 0 HB2 ASP A 144 33.140 -0.482 4.611 1.00 17.82 H new ATOM 0 HB3 ASP A 144 32.561 -1.025 5.954 1.00 17.82 H new ATOM 1005 N GLY A 145 31.240 2.870 4.753 1.00 15.83 N ATOM 1006 CA GLY A 145 31.016 3.851 3.716 1.00 15.21 C ATOM 1007 C GLY A 145 29.998 3.417 2.679 1.00 15.07 C ATOM 1008 O GLY A 145 29.738 4.122 1.718 1.00 14.77 O ATOM 0 H GLY A 145 30.698 2.920 5.419 1.00 15.83 H new ATOM 0 HA2 GLY A 145 30.718 4.679 4.124 1.00 15.21 H new ATOM 0 HA3 GLY A 145 31.858 4.040 3.273 1.00 15.21 H new ATOM 1009 N ALA A 146 29.399 2.253 2.844 1.00 15.06 N ATOM 1010 CA ALA A 146 28.388 1.866 1.882 1.00 15.27 C ATOM 1011 C ALA A 146 27.264 2.906 1.851 1.00 15.24 C ATOM 1012 O ALA A 146 26.883 3.454 2.873 1.00 14.60 O ATOM 1013 CB ALA A 146 27.862 0.521 2.197 1.00 15.42 C ATOM 0 H ALA A 146 29.553 1.693 3.478 1.00 15.06 H new ATOM 0 HA ALA A 146 28.791 1.829 1.000 1.00 15.27 H new ATOM 0 HB1 ALA A 146 27.187 0.276 1.545 1.00 15.42 H new ATOM 0 HB2 ALA A 146 28.586 -0.124 2.170 1.00 15.42 H new ATOM 0 HB3 ALA A 146 27.468 0.527 3.083 1.00 15.42 H new ATOM 1014 N LEU A 147 26.796 3.203 0.647 1.00 15.56 N ATOM 1015 CA LEU A 147 25.700 4.132 0.424 1.00 15.82 C ATOM 1016 C LEU A 147 24.840 3.469 -0.620 1.00 16.03 C ATOM 1017 O LEU A 147 25.351 2.727 -1.439 1.00 14.88 O ATOM 1018 CB LEU A 147 26.199 5.468 -0.098 1.00 15.59 C ATOM 1019 CG LEU A 147 25.108 6.452 -0.509 1.00 16.49 C ATOM 1020 CD1 LEU A 147 24.192 6.805 0.661 1.00 17.14 C ATOM 1021 CD2 LEU A 147 25.708 7.726 -1.091 1.00 16.98 C ATOM 0 H LEU A 147 27.113 2.864 -0.077 1.00 15.56 H new ATOM 0 HA LEU A 147 25.223 4.318 1.248 1.00 15.82 H new ATOM 0 HB2 LEU A 147 26.747 5.882 0.587 1.00 15.59 H new ATOM 0 HB3 LEU A 147 26.774 5.306 -0.862 1.00 15.59 H new ATOM 0 HG LEU A 147 24.577 6.012 -1.191 1.00 16.49 H new ATOM 0 HD11 LEU A 147 23.513 7.431 0.363 1.00 17.14 H new ATOM 0 HD12 LEU A 147 23.766 5.999 0.993 1.00 17.14 H new ATOM 0 HD13 LEU A 147 24.715 7.210 1.371 1.00 17.14 H new ATOM 0 HD21 LEU A 147 24.995 8.333 -1.344 1.00 16.98 H new ATOM 0 HD22 LEU A 147 26.274 8.150 -0.427 1.00 16.98 H new ATOM 0 HD23 LEU A 147 26.238 7.506 -1.873 1.00 16.98 H new ATOM 1022 N TRP A 148 23.538 3.736 -0.603 1.00 17.21 N ATOM 1023 CA TRP A 148 22.638 3.099 -1.566 1.00 18.24 C ATOM 1024 C TRP A 148 21.513 4.015 -2.022 1.00 17.45 C ATOM 1025 O TRP A 148 20.985 4.737 -1.221 1.00 17.85 O ATOM 1026 CB TRP A 148 22.076 1.815 -0.948 1.00 19.03 C ATOM 1027 CG TRP A 148 23.151 0.822 -0.564 1.00 22.13 C ATOM 1028 CD1 TRP A 148 23.894 0.816 0.579 1.00 24.86 C ATOM 1029 CD2 TRP A 148 23.613 -0.293 -1.345 1.00 24.89 C ATOM 1030 NE1 TRP A 148 24.785 -0.234 0.558 1.00 26.85 N ATOM 1031 CE2 TRP A 148 24.634 -0.925 -0.616 1.00 26.73 C ATOM 1032 CE3 TRP A 148 23.274 -0.812 -2.593 1.00 26.38 C ATOM 1033 CZ2 TRP A 148 25.314 -2.048 -1.090 1.00 29.00 C ATOM 1034 CZ3 TRP A 148 23.950 -1.937 -3.059 1.00 29.14 C ATOM 1035 CH2 TRP A 148 24.954 -2.540 -2.311 1.00 29.22 C ATOM 0 H TRP A 148 23.157 4.275 -0.051 1.00 17.21 H new ATOM 0 HA TRP A 148 23.152 2.891 -2.362 1.00 18.24 H new ATOM 0 HB2 TRP A 148 21.556 2.042 -0.161 1.00 19.03 H new ATOM 0 HB3 TRP A 148 21.468 1.398 -1.579 1.00 19.03 H new ATOM 0 HD1 TRP A 148 23.811 1.431 1.272 1.00 24.86 H new ATOM 0 HE1 TRP A 148 25.346 -0.425 1.181 1.00 26.85 H new ATOM 0 HE3 TRP A 148 22.608 -0.414 -3.106 1.00 26.38 H new ATOM 0 HZ2 TRP A 148 25.989 -2.447 -0.591 1.00 29.00 H new ATOM 0 HZ3 TRP A 148 23.725 -2.292 -3.888 1.00 29.14 H new ATOM 0 HH2 TRP A 148 25.387 -3.291 -2.648 1.00 29.22 H new ATOM 1036 N LEU A 149 21.135 3.958 -3.291 1.00 17.16 N ATOM 1037 CA LEU A 149 20.055 4.797 -3.807 1.00 17.69 C ATOM 1038 C LEU A 149 18.912 4.126 -4.574 1.00 17.85 C ATOM 1039 O LEU A 149 19.118 3.627 -5.657 1.00 17.01 O ATOM 1040 CB LEU A 149 20.648 5.808 -4.746 1.00 17.83 C ATOM 1041 CG LEU A 149 20.743 7.224 -4.231 1.00 18.41 C ATOM 1042 CD1 LEU A 149 21.460 7.254 -2.910 1.00 19.61 C ATOM 1043 CD2 LEU A 149 21.480 8.079 -5.271 1.00 17.97 C ATOM 0 H LEU A 149 21.492 3.438 -3.876 1.00 17.16 H new ATOM 0 HA LEU A 149 19.650 5.151 -3.000 1.00 17.69 H new ATOM 0 HB2 LEU A 149 21.539 5.512 -4.989 1.00 17.83 H new ATOM 0 HB3 LEU A 149 20.120 5.815 -5.559 1.00 17.83 H new ATOM 0 HG LEU A 149 19.853 7.583 -4.092 1.00 18.41 H new ATOM 0 HD11 LEU A 149 21.514 8.169 -2.591 1.00 19.61 H new ATOM 0 HD12 LEU A 149 20.974 6.716 -2.266 1.00 19.61 H new ATOM 0 HD13 LEU A 149 22.355 6.897 -3.019 1.00 19.61 H new ATOM 0 HD21 LEU A 149 21.547 8.992 -4.951 1.00 17.97 H new ATOM 0 HD22 LEU A 149 22.370 7.720 -5.413 1.00 17.97 H new ATOM 0 HD23 LEU A 149 20.989 8.066 -6.108 1.00 17.97 H new ATOM 1044 N GLY A 150 17.692 4.189 -4.038 1.00 19.09 N ATOM 1045 CA GLY A 150 16.501 3.681 -4.725 1.00 19.77 C ATOM 1046 C GLY A 150 15.977 2.330 -4.288 1.00 20.48 C ATOM 1047 O GLY A 150 14.977 1.858 -4.812 1.00 20.10 O ATOM 0 H GLY A 150 17.531 4.528 -3.264 1.00 19.09 H new ATOM 0 HA2 GLY A 150 15.789 4.330 -4.614 1.00 19.77 H new ATOM 0 HA3 GLY A 150 16.697 3.635 -5.674 1.00 19.77 H new ATOM 1048 N GLY A 151 16.665 1.721 -3.332 1.00 21.95 N ATOM 1049 CA GLY A 151 16.349 0.399 -2.809 1.00 23.11 C ATOM 1050 C GLY A 151 17.685 -0.159 -2.346 1.00 24.51 C ATOM 1051 O GLY A 151 18.698 0.560 -2.412 1.00 24.63 O ATOM 0 H GLY A 151 17.352 2.078 -2.957 1.00 21.95 H new ATOM 0 HA2 GLY A 151 15.716 0.452 -2.076 1.00 23.11 H new ATOM 0 HA3 GLY A 151 15.949 -0.164 -3.490 1.00 23.11 H new ATOM 1052 N MET A 152 17.739 -1.397 -1.862 1.00 25.75 N ATOM 1053 CA MET A 152 19.041 -1.911 -1.423 1.00 26.92 C ATOM 1054 C MET A 152 19.181 -3.412 -1.533 1.00 27.28 C ATOM 1055 O MET A 152 18.226 -4.144 -1.422 1.00 27.33 O ATOM 1056 CB MET A 152 19.369 -1.457 0.004 1.00 26.98 C ATOM 1057 CG MET A 152 18.665 -2.257 1.063 1.00 28.60 C ATOM 1058 SD MET A 152 18.621 -1.402 2.661 1.00 31.35 S ATOM 1059 CE MET A 152 17.024 -1.971 3.260 1.00 31.39 C ATOM 0 H MET A 152 17.073 -1.935 -1.780 1.00 25.75 H new ATOM 0 HA MET A 152 19.683 -1.528 -2.041 1.00 26.92 H new ATOM 0 HB2 MET A 152 20.327 -1.520 0.144 1.00 26.98 H new ATOM 0 HB3 MET A 152 19.129 -0.522 0.102 1.00 26.98 H new ATOM 0 HG2 MET A 152 17.758 -2.444 0.774 1.00 28.60 H new ATOM 0 HG3 MET A 152 19.111 -3.112 1.169 1.00 28.60 H new ATOM 0 HE1 MET A 152 16.851 -1.587 4.134 1.00 31.39 H new ATOM 0 HE2 MET A 152 16.329 -1.694 2.642 1.00 31.39 H new ATOM 0 HE3 MET A 152 17.029 -2.939 3.327 1.00 31.39 H new ATOM 1060 N GLU A 153 20.414 -3.824 -1.770 1.00 28.14 N ATOM 1061 CA GLU A 153 20.809 -5.204 -1.919 1.00 29.19 C ATOM 1062 C GLU A 153 20.380 -6.051 -0.732 1.00 29.96 C ATOM 1063 O GLU A 153 19.334 -6.683 -0.758 1.00 30.04 O ATOM 1064 CB GLU A 153 22.337 -5.227 -2.068 1.00 29.30 C ATOM 1065 CG GLU A 153 22.969 -6.580 -2.346 1.00 29.79 C ATOM 1066 CD GLU A 153 24.210 -6.448 -3.203 1.00 30.97 C ATOM 1067 OE1 GLU A 153 24.083 -6.042 -4.380 1.00 31.23 O ATOM 1068 OE2 GLU A 153 25.317 -6.733 -2.697 1.00 32.74 O ATOM 0 H GLU A 153 21.073 -3.277 -1.852 1.00 28.14 H new ATOM 0 HA GLU A 153 20.374 -5.584 -2.698 1.00 29.19 H new ATOM 0 HB2 GLU A 153 22.581 -4.624 -2.787 1.00 29.30 H new ATOM 0 HB3 GLU A 153 22.727 -4.871 -1.254 1.00 29.30 H new ATOM 0 HG2 GLU A 153 23.198 -7.010 -1.507 1.00 29.79 H new ATOM 0 HG3 GLU A 153 22.326 -7.153 -2.792 1.00 29.79 H new ATOM 1069 N ARG A 154 21.214 -6.066 0.299 1.00 30.93 N ATOM 1070 CA ARG A 154 20.967 -6.824 1.516 1.00 31.55 C ATOM 1071 C ARG A 154 19.619 -6.403 2.084 1.00 31.86 C ATOM 1072 O ARG A 154 19.476 -5.328 2.668 1.00 31.52 O ATOM 1073 CB ARG A 154 22.120 -6.599 2.508 1.00 31.67 C ATOM 1074 CG ARG A 154 23.502 -6.914 1.894 1.00 32.66 C ATOM 1075 CD ARG A 154 24.698 -6.378 2.655 1.00 33.10 C ATOM 1076 NE ARG A 154 25.817 -6.080 1.761 1.00 34.44 N ATOM 1077 CZ ARG A 154 27.104 -6.047 2.134 1.00 37.10 C ATOM 1078 NH1 ARG A 154 28.052 -5.779 1.242 1.00 37.62 N ATOM 1079 NH2 ARG A 154 27.456 -6.284 3.396 1.00 37.72 N ATOM 0 H ARG A 154 21.954 -5.627 0.311 1.00 30.93 H new ATOM 0 HA ARG A 154 20.933 -7.776 1.333 1.00 31.55 H new ATOM 0 HB2 ARG A 154 22.107 -5.677 2.810 1.00 31.67 H new ATOM 0 HB3 ARG A 154 21.983 -7.156 3.290 1.00 31.67 H new ATOM 0 HG2 ARG A 154 23.592 -7.877 1.819 1.00 32.66 H new ATOM 0 HG3 ARG A 154 23.526 -6.556 0.993 1.00 32.66 H new ATOM 0 HD2 ARG A 154 24.443 -5.574 3.135 1.00 33.10 H new ATOM 0 HD3 ARG A 154 24.978 -7.028 3.319 1.00 33.10 H new ATOM 0 HE ARG A 154 25.636 -5.914 0.937 1.00 34.44 H new ATOM 0 HH11 ARG A 154 27.841 -5.626 0.423 1.00 37.62 H new ATOM 0 HH12 ARG A 154 28.877 -5.758 1.484 1.00 37.62 H new ATOM 0 HH21 ARG A 154 26.854 -6.461 3.984 1.00 37.72 H new ATOM 0 HH22 ARG A 154 28.285 -6.260 3.623 1.00 37.72 H new ATOM 1080 N LEU A 155 18.620 -7.251 1.886 1.00 32.45 N ATOM 1081 CA LEU A 155 17.269 -6.917 2.322 1.00 33.46 C ATOM 1082 C LEU A 155 16.844 -7.414 3.709 1.00 33.61 C ATOM 1083 O LEU A 155 16.146 -6.721 4.435 1.00 33.47 O ATOM 1084 CB LEU A 155 16.265 -7.370 1.258 1.00 33.78 C ATOM 1085 CG LEU A 155 16.218 -6.444 0.029 1.00 34.34 C ATOM 1086 CD1 LEU A 155 15.372 -7.056 -1.095 1.00 35.25 C ATOM 1087 CD2 LEU A 155 15.718 -5.047 0.405 1.00 33.67 C ATOM 0 H LEU A 155 18.699 -8.018 1.505 1.00 32.45 H new ATOM 0 HA LEU A 155 17.276 -5.952 2.423 1.00 33.46 H new ATOM 0 HB2 LEU A 155 16.492 -8.268 0.970 1.00 33.78 H new ATOM 0 HB3 LEU A 155 15.381 -7.415 1.655 1.00 33.78 H new ATOM 0 HG LEU A 155 17.124 -6.350 -0.304 1.00 34.34 H new ATOM 0 HD11 LEU A 155 15.359 -6.454 -1.855 1.00 35.25 H new ATOM 0 HD12 LEU A 155 15.755 -7.906 -1.363 1.00 35.25 H new ATOM 0 HD13 LEU A 155 14.466 -7.196 -0.779 1.00 35.25 H new ATOM 0 HD21 LEU A 155 15.699 -4.486 -0.386 1.00 33.67 H new ATOM 0 HD22 LEU A 155 14.824 -5.112 0.777 1.00 33.67 H new ATOM 0 HD23 LEU A 155 16.314 -4.656 1.063 1.00 33.67 H new ATOM 1088 N SER A 156 17.245 -8.619 4.066 1.00 34.19 N ATOM 1089 CA SER A 156 16.881 -9.196 5.355 1.00 34.37 C ATOM 1090 C SER A 156 16.592 -8.131 6.403 1.00 34.27 C ATOM 1091 O SER A 156 15.550 -8.135 7.048 1.00 33.80 O ATOM 1092 CB SER A 156 18.034 -10.071 5.851 1.00 34.64 C ATOM 1093 OG SER A 156 19.263 -9.337 5.876 1.00 34.60 O ATOM 0 H SER A 156 17.734 -9.128 3.574 1.00 34.19 H new ATOM 0 HA SER A 156 16.073 -9.716 5.227 1.00 34.37 H new ATOM 0 HB2 SER A 156 17.833 -10.402 6.740 1.00 34.64 H new ATOM 0 HB3 SER A 156 18.128 -10.845 5.274 1.00 34.64 H new ATOM 0 HG SER A 156 19.881 -9.834 6.152 1.00 34.60 H new ATOM 1094 N VAL A 157 17.562 -7.241 6.566 1.00 34.65 N ATOM 1095 CA VAL A 157 17.527 -6.164 7.543 1.00 34.76 C ATOM 1096 C VAL A 157 16.448 -5.169 7.177 1.00 34.53 C ATOM 1097 O VAL A 157 16.663 -3.961 7.193 1.00 34.93 O ATOM 1098 CB VAL A 157 18.879 -5.407 7.572 1.00 34.95 C ATOM 1099 CG1 VAL A 157 19.136 -4.817 8.940 1.00 35.81 C ATOM 1100 CG2 VAL A 157 20.035 -6.311 7.181 1.00 35.13 C ATOM 0 H VAL A 157 18.282 -7.248 6.095 1.00 34.65 H new ATOM 0 HA VAL A 157 17.349 -6.558 8.411 1.00 34.76 H new ATOM 0 HB VAL A 157 18.818 -4.690 6.922 1.00 34.95 H new ATOM 0 HG11 VAL A 157 19.985 -4.349 8.936 1.00 35.81 H new ATOM 0 HG12 VAL A 157 18.426 -4.195 9.163 1.00 35.81 H new ATOM 0 HG13 VAL A 157 19.162 -5.528 9.599 1.00 35.81 H new ATOM 0 HG21 VAL A 157 20.864 -5.808 7.209 1.00 35.13 H new ATOM 0 HG22 VAL A 157 20.088 -7.055 7.801 1.00 35.13 H new ATOM 0 HG23 VAL A 157 19.893 -6.648 6.283 1.00 35.13 H new ATOM 1101 N ALA A 158 15.285 -5.683 6.818 1.00 34.16 N ATOM 1102 CA ALA A 158 14.175 -4.847 6.444 1.00 33.43 C ATOM 1103 C ALA A 158 12.908 -5.456 7.002 1.00 32.93 C ATOM 1104 O ALA A 158 11.815 -4.961 6.737 1.00 33.26 O ATOM 1105 CB ALA A 158 14.099 -4.735 4.943 1.00 33.54 C ATOM 0 H ALA A 158 15.122 -6.527 6.786 1.00 34.16 H new ATOM 0 HA ALA A 158 14.290 -3.954 6.805 1.00 33.43 H new ATOM 0 HB1 ALA A 158 13.349 -4.171 4.698 1.00 33.54 H new ATOM 0 HB2 ALA A 158 14.921 -4.345 4.605 1.00 33.54 H new ATOM 0 HB3 ALA A 158 13.978 -5.617 4.558 1.00 33.54 H new ATOM 1106 N HIS A 159 13.047 -6.524 7.783 1.00 32.13 N ATOM 1107 CA HIS A 159 11.893 -7.170 8.398 1.00 31.83 C ATOM 1108 C HIS A 159 11.400 -6.391 9.612 1.00 30.16 C ATOM 1109 O HIS A 159 10.261 -6.585 10.075 1.00 29.63 O ATOM 1110 CB HIS A 159 12.255 -8.578 8.843 1.00 32.30 C ATOM 1111 CG HIS A 159 12.713 -9.455 7.731 1.00 35.46 C ATOM 1112 ND1 HIS A 159 13.548 -10.533 7.931 1.00 38.38 N ATOM 1113 CD2 HIS A 159 12.459 -9.410 6.400 1.00 38.51 C ATOM 1114 CE1 HIS A 159 13.777 -11.123 6.770 1.00 40.18 C ATOM 1115 NE2 HIS A 159 13.133 -10.459 5.825 1.00 39.84 N ATOM 0 H HIS A 159 13.803 -6.890 7.969 1.00 32.13 H new ATOM 0 HA HIS A 159 11.188 -7.198 7.732 1.00 31.83 H new ATOM 0 HB2 HIS A 159 12.954 -8.527 9.514 1.00 32.30 H new ATOM 0 HB3 HIS A 159 11.483 -8.983 9.268 1.00 32.30 H new ATOM 0 HD2 HIS A 159 11.928 -8.786 5.959 1.00 38.51 H new ATOM 0 HE1 HIS A 159 14.303 -11.879 6.640 1.00 40.18 H new ATOM 0 HE2 HIS A 159 13.136 -10.653 4.987 1.00 39.84 H new ATOM 1116 N LYS A 160 12.284 -5.537 10.126 1.00 28.05 N ATOM 1117 CA LYS A 160 12.013 -4.759 11.315 1.00 26.54 C ATOM 1118 C LYS A 160 11.530 -3.357 11.012 1.00 24.44 C ATOM 1119 O LYS A 160 11.227 -2.595 11.939 1.00 23.80 O ATOM 1120 CB LYS A 160 13.282 -4.674 12.158 1.00 27.11 C ATOM 1121 CG LYS A 160 14.408 -3.764 11.602 1.00 29.07 C ATOM 1122 CD LYS A 160 15.522 -3.524 12.645 1.00 30.48 C ATOM 1123 CE LYS A 160 16.703 -2.784 12.049 1.00 32.02 C ATOM 1124 NZ LYS A 160 17.756 -2.534 13.086 1.00 33.67 N ATOM 0 H LYS A 160 13.062 -5.397 9.786 1.00 28.05 H new ATOM 0 HA LYS A 160 11.300 -5.211 11.793 1.00 26.54 H new ATOM 0 HB2 LYS A 160 13.041 -4.356 13.042 1.00 27.11 H new ATOM 0 HB3 LYS A 160 13.638 -5.570 12.266 1.00 27.11 H new ATOM 0 HG2 LYS A 160 14.790 -4.171 10.809 1.00 29.07 H new ATOM 0 HG3 LYS A 160 14.031 -2.913 11.330 1.00 29.07 H new ATOM 0 HD2 LYS A 160 15.164 -3.015 13.389 1.00 30.48 H new ATOM 0 HD3 LYS A 160 15.820 -4.376 13.001 1.00 30.48 H new ATOM 0 HE2 LYS A 160 17.079 -3.301 11.319 1.00 32.02 H new ATOM 0 HE3 LYS A 160 16.405 -1.940 11.675 1.00 32.02 H new ATOM 0 HZ1 LYS A 160 18.500 -2.246 12.691 1.00 33.67 H new ATOM 0 HZ2 LYS A 160 17.468 -1.918 13.660 1.00 33.67 H new ATOM 0 HZ3 LYS A 160 17.927 -3.290 13.524 1.00 33.67 H new ATOM 1125 N LEU A 161 11.497 -3.004 9.725 1.00 22.12 N ATOM 1126 CA LEU A 161 11.052 -1.677 9.288 1.00 20.02 C ATOM 1127 C LEU A 161 9.731 -1.781 8.554 1.00 18.74 C ATOM 1128 O LEU A 161 9.245 -2.880 8.309 1.00 19.20 O ATOM 1129 CB LEU A 161 12.096 -1.053 8.373 1.00 19.77 C ATOM 1130 CG LEU A 161 13.540 -1.108 8.861 1.00 17.18 C ATOM 1131 CD1 LEU A 161 14.423 -0.427 7.877 1.00 16.34 C ATOM 1132 CD2 LEU A 161 13.697 -0.484 10.208 1.00 16.04 C ATOM 0 H LEU A 161 11.731 -3.525 9.082 1.00 22.12 H new ATOM 0 HA LEU A 161 10.935 -1.117 10.071 1.00 20.02 H new ATOM 0 HB2 LEU A 161 12.049 -1.495 7.511 1.00 19.77 H new ATOM 0 HB3 LEU A 161 11.858 -0.124 8.229 1.00 19.77 H new ATOM 0 HG LEU A 161 13.793 -2.041 8.942 1.00 17.18 H new ATOM 0 HD11 LEU A 161 15.341 -0.462 8.187 1.00 16.34 H new ATOM 0 HD12 LEU A 161 14.355 -0.873 7.018 1.00 16.34 H new ATOM 0 HD13 LEU A 161 14.149 0.499 7.783 1.00 16.34 H new ATOM 0 HD21 LEU A 161 14.625 -0.538 10.484 1.00 16.04 H new ATOM 0 HD22 LEU A 161 13.426 0.446 10.167 1.00 16.04 H new ATOM 0 HD23 LEU A 161 13.142 -0.954 10.849 1.00 16.04 H new ATOM 1133 N PRO A 162 9.087 -0.658 8.278 1.00 17.02 N ATOM 1134 CA PRO A 162 7.865 -0.665 7.468 1.00 15.73 C ATOM 1135 C PRO A 162 8.110 -1.037 6.013 1.00 14.80 C ATOM 1136 O PRO A 162 9.130 -0.731 5.440 1.00 15.06 O ATOM 1137 CB PRO A 162 7.378 0.771 7.591 1.00 15.72 C ATOM 1138 CG PRO A 162 7.945 1.231 8.855 1.00 15.82 C ATOM 1139 CD PRO A 162 9.355 0.676 8.829 1.00 17.06 C ATOM 0 HA PRO A 162 7.228 -1.330 7.773 1.00 15.73 H new ATOM 0 HB2 PRO A 162 7.682 1.314 6.847 1.00 15.72 H new ATOM 0 HB3 PRO A 162 6.409 0.818 7.599 1.00 15.72 H new ATOM 0 HG2 PRO A 162 7.943 2.199 8.917 1.00 15.82 H new ATOM 0 HG3 PRO A 162 7.443 0.897 9.615 1.00 15.82 H new ATOM 0 HD2 PRO A 162 9.950 1.198 8.267 1.00 17.06 H new ATOM 0 HD3 PRO A 162 9.757 0.640 9.711 1.00 17.06 H new ATOM 1140 N LYS A 163 7.141 -1.693 5.417 1.00 14.45 N ATOM 1141 CA LYS A 163 7.238 -2.196 4.057 1.00 14.21 C ATOM 1142 C LYS A 163 7.970 -1.218 3.155 1.00 13.34 C ATOM 1143 O LYS A 163 8.633 -1.618 2.202 1.00 12.31 O ATOM 1144 CB LYS A 163 5.831 -2.482 3.500 1.00 14.46 C ATOM 1145 CG LYS A 163 5.303 -3.857 3.749 1.00 15.88 C ATOM 1146 CD LYS A 163 5.879 -4.934 2.784 1.00 18.36 C ATOM 1147 CE LYS A 163 4.992 -6.249 2.757 1.00 18.90 C ATOM 1148 NZ LYS A 163 5.489 -7.397 1.900 1.00 19.70 N ATOM 0 H LYS A 163 6.388 -1.865 5.796 1.00 14.45 H new ATOM 0 HA LYS A 163 7.749 -3.020 4.077 1.00 14.21 H new ATOM 0 HB2 LYS A 163 5.212 -1.841 3.885 1.00 14.46 H new ATOM 0 HB3 LYS A 163 5.842 -2.326 2.543 1.00 14.46 H new ATOM 0 HG2 LYS A 163 5.505 -4.112 4.663 1.00 15.88 H new ATOM 0 HG3 LYS A 163 4.337 -3.844 3.666 1.00 15.88 H new ATOM 0 HD2 LYS A 163 5.937 -4.566 1.888 1.00 18.36 H new ATOM 0 HD3 LYS A 163 6.782 -5.160 3.056 1.00 18.36 H new ATOM 0 HE2 LYS A 163 4.901 -6.570 3.668 1.00 18.90 H new ATOM 0 HE3 LYS A 163 4.104 -6.007 2.451 1.00 18.90 H new ATOM 0 HZ1 LYS A 163 4.920 -8.079 1.958 1.00 19.70 H new ATOM 0 HZ2 LYS A 163 5.548 -7.131 1.053 1.00 19.70 H new ATOM 0 HZ3 LYS A 163 6.291 -7.656 2.186 1.00 19.70 H new ATOM 1149 N ALA A 164 7.828 0.061 3.479 1.00 12.74 N ATOM 1150 CA ALA A 164 8.420 1.157 2.712 1.00 12.44 C ATOM 1151 C ALA A 164 9.886 1.008 2.421 1.00 11.96 C ATOM 1152 O ALA A 164 10.340 1.328 1.326 1.00 12.02 O ATOM 1153 CB ALA A 164 8.216 2.456 3.453 1.00 12.94 C ATOM 0 H ALA A 164 7.377 0.324 4.163 1.00 12.74 H new ATOM 0 HA ALA A 164 7.965 1.144 1.855 1.00 12.44 H new ATOM 0 HB1 ALA A 164 8.608 3.183 2.945 1.00 12.94 H new ATOM 0 HB2 ALA A 164 7.266 2.618 3.568 1.00 12.94 H new ATOM 0 HB3 ALA A 164 8.642 2.403 4.323 1.00 12.94 H new ATOM 1154 N TYR A 165 10.644 0.570 3.417 1.00 11.13 N ATOM 1155 CA TYR A 165 12.070 0.384 3.231 1.00 10.38 C ATOM 1156 C TYR A 165 12.328 -0.890 2.433 1.00 10.45 C ATOM 1157 O TYR A 165 13.436 -1.169 2.040 1.00 10.32 O ATOM 1158 CB TYR A 165 12.798 0.340 4.579 1.00 10.25 C ATOM 1159 CG TYR A 165 12.669 1.601 5.384 1.00 8.66 C ATOM 1160 CD1 TYR A 165 11.521 1.878 6.109 1.00 11.48 C ATOM 1161 CD2 TYR A 165 13.655 2.515 5.397 1.00 6.34 C ATOM 1162 CE1 TYR A 165 11.385 3.056 6.826 1.00 9.97 C ATOM 1163 CE2 TYR A 165 13.535 3.656 6.098 1.00 8.44 C ATOM 1164 CZ TYR A 165 12.412 3.929 6.809 1.00 9.75 C ATOM 1165 OH TYR A 165 12.351 5.097 7.509 1.00 12.36 O ATOM 0 H TYR A 165 10.352 0.376 4.203 1.00 11.13 H new ATOM 0 HA TYR A 165 12.419 1.140 2.733 1.00 10.38 H new ATOM 0 HB2 TYR A 165 12.452 -0.402 5.099 1.00 10.25 H new ATOM 0 HB3 TYR A 165 13.739 0.162 4.423 1.00 10.25 H new ATOM 0 HD1 TYR A 165 10.826 1.260 6.114 1.00 11.48 H new ATOM 0 HD2 TYR A 165 14.433 2.355 4.913 1.00 6.34 H new ATOM 0 HE1 TYR A 165 10.609 3.239 7.304 1.00 9.97 H new ATOM 0 HE2 TYR A 165 14.234 4.269 6.096 1.00 8.44 H new ATOM 0 HH TYR A 165 11.598 5.165 7.876 1.00 12.36 H new ATOM 1166 N SER A 166 11.288 -1.667 2.199 1.00 10.92 N ATOM 1167 CA SER A 166 11.411 -2.899 1.444 1.00 11.19 C ATOM 1168 C SER A 166 11.046 -2.567 0.027 1.00 10.50 C ATOM 1169 O SER A 166 11.517 -3.203 -0.885 1.00 11.79 O ATOM 1170 CB SER A 166 10.444 -3.955 2.007 1.00 11.71 C ATOM 1171 OG SER A 166 10.538 -4.000 3.442 1.00 11.88 O ATOM 0 H SER A 166 10.491 -1.497 2.473 1.00 10.92 H new ATOM 0 HA SER A 166 12.310 -3.260 1.498 1.00 11.19 H new ATOM 0 HB2 SER A 166 9.535 -3.745 1.742 1.00 11.71 H new ATOM 0 HB3 SER A 166 10.653 -4.826 1.635 1.00 11.71 H new ATOM 0 HG SER A 166 10.006 -4.578 3.740 1.00 11.88 H new ATOM 1172 N THR A 167 10.193 -1.565 -0.133 1.00 9.28 N ATOM 1173 CA THR A 167 9.735 -1.104 -1.429 1.00 8.65 C ATOM 1174 C THR A 167 10.742 -0.247 -2.143 1.00 8.26 C ATOM 1175 O THR A 167 11.065 0.844 -1.667 1.00 9.47 O ATOM 1176 CB THR A 167 8.483 -0.236 -1.222 1.00 8.63 C ATOM 1177 OG1 THR A 167 7.363 -1.050 -0.773 1.00 10.64 O ATOM 1178 CG2 THR A 167 8.029 0.370 -2.548 1.00 8.33 C ATOM 0 H THR A 167 9.858 -1.125 0.526 1.00 9.28 H new ATOM 0 HA THR A 167 9.569 -1.895 -1.965 1.00 8.65 H new ATOM 0 HB THR A 167 8.719 0.444 -0.572 1.00 8.63 H new ATOM 0 HG1 THR A 167 6.688 -0.562 -0.663 1.00 10.64 H new ATOM 0 HG21 THR A 167 7.239 0.914 -2.402 1.00 8.33 H new ATOM 0 HG22 THR A 167 8.739 0.922 -2.912 1.00 8.33 H new ATOM 0 HG23 THR A 167 7.820 -0.341 -3.174 1.00 8.33 H new ATOM 1179 N GLY A 168 11.229 -0.683 -3.296 1.00 7.45 N ATOM 1180 CA GLY A 168 12.120 0.162 -4.079 1.00 6.85 C ATOM 1181 C GLY A 168 11.428 1.486 -4.437 1.00 6.56 C ATOM 1182 O GLY A 168 10.213 1.641 -4.311 1.00 5.75 O ATOM 0 H GLY A 168 11.060 -1.453 -3.640 1.00 7.45 H new ATOM 0 HA2 GLY A 168 12.931 0.340 -3.577 1.00 6.85 H new ATOM 0 HA3 GLY A 168 12.384 -0.301 -4.890 1.00 6.85 H new ATOM 1183 N PHE A 169 12.199 2.453 -4.907 1.00 6.55 N ATOM 1184 CA PHE A 169 11.644 3.764 -5.239 1.00 6.14 C ATOM 1185 C PHE A 169 11.296 3.877 -6.710 1.00 6.78 C ATOM 1186 O PHE A 169 12.075 3.465 -7.568 1.00 7.04 O ATOM 1187 CB PHE A 169 12.640 4.830 -4.858 1.00 5.48 C ATOM 1188 CG PHE A 169 12.272 6.211 -5.291 1.00 5.29 C ATOM 1189 CD1 PHE A 169 13.089 6.932 -6.117 1.00 4.04 C ATOM 1190 CD2 PHE A 169 11.142 6.826 -4.824 1.00 6.30 C ATOM 1191 CE1 PHE A 169 12.758 8.221 -6.493 1.00 2.85 C ATOM 1192 CE2 PHE A 169 10.826 8.114 -5.210 1.00 3.74 C ATOM 1193 CZ PHE A 169 11.658 8.799 -6.035 1.00 2.00 C ATOM 0 H PHE A 169 13.045 2.376 -5.042 1.00 6.55 H new ATOM 0 HA PHE A 169 10.820 3.881 -4.740 1.00 6.14 H new ATOM 0 HB2 PHE A 169 12.748 4.825 -3.894 1.00 5.48 H new ATOM 0 HB3 PHE A 169 13.501 4.603 -5.242 1.00 5.48 H new ATOM 0 HD1 PHE A 169 13.877 6.551 -6.430 1.00 4.04 H new ATOM 0 HD2 PHE A 169 10.580 6.371 -4.239 1.00 6.30 H new ATOM 0 HE1 PHE A 169 13.314 8.687 -7.074 1.00 2.85 H new ATOM 0 HE2 PHE A 169 10.043 8.512 -4.905 1.00 3.74 H new ATOM 0 HZ PHE A 169 11.456 9.673 -6.278 1.00 2.00 H new ATOM 1194 N ILE A 170 10.124 4.449 -6.988 1.00 7.44 N ATOM 1195 CA ILE A 170 9.658 4.699 -8.348 1.00 7.83 C ATOM 1196 C ILE A 170 9.555 6.192 -8.480 1.00 8.71 C ATOM 1197 O ILE A 170 8.743 6.814 -7.825 1.00 9.38 O ATOM 1198 CB ILE A 170 8.252 4.076 -8.625 1.00 7.73 C ATOM 1199 CG1 ILE A 170 8.327 2.571 -8.683 1.00 7.01 C ATOM 1200 CG2 ILE A 170 7.695 4.553 -9.956 1.00 7.12 C ATOM 1201 CD1 ILE A 170 7.021 1.912 -8.837 1.00 6.88 C ATOM 0 H ILE A 170 9.571 4.706 -6.381 1.00 7.44 H new ATOM 0 HA ILE A 170 10.274 4.297 -8.981 1.00 7.83 H new ATOM 0 HB ILE A 170 7.676 4.358 -7.897 1.00 7.73 H new ATOM 0 HG12 ILE A 170 8.898 2.313 -9.423 1.00 7.01 H new ATOM 0 HG13 ILE A 170 8.749 2.246 -7.872 1.00 7.01 H new ATOM 0 HG21 ILE A 170 6.824 4.153 -10.104 1.00 7.12 H new ATOM 0 HG22 ILE A 170 7.609 5.519 -9.943 1.00 7.12 H new ATOM 0 HG23 ILE A 170 8.296 4.292 -10.671 1.00 7.12 H new ATOM 0 HD11 ILE A 170 7.145 0.950 -8.867 1.00 6.88 H new ATOM 0 HD12 ILE A 170 6.452 2.141 -8.085 1.00 6.88 H new ATOM 0 HD13 ILE A 170 6.603 2.209 -9.660 1.00 6.88 H new ATOM 1202 N GLY A 171 10.381 6.777 -9.317 1.00 9.89 N ATOM 1203 CA GLY A 171 10.350 8.208 -9.513 1.00 11.01 C ATOM 1204 C GLY A 171 11.714 8.601 -9.993 1.00 11.96 C ATOM 1205 O GLY A 171 12.442 7.742 -10.451 1.00 11.72 O ATOM 0 H GLY A 171 10.971 6.362 -9.785 1.00 9.89 H new ATOM 0 HA2 GLY A 171 9.672 8.453 -10.162 1.00 11.01 H new ATOM 0 HA3 GLY A 171 10.130 8.665 -8.686 1.00 11.01 H new ATOM 1206 N CYS A 172 12.051 9.878 -9.902 1.00 13.66 N ATOM 1207 CA CYS A 172 13.357 10.344 -10.331 1.00 15.59 C ATOM 1208 C CYS A 172 14.142 10.973 -9.179 1.00 15.81 C ATOM 1209 O CYS A 172 13.556 11.246 -8.126 1.00 16.69 O ATOM 1210 CB CYS A 172 13.190 11.336 -11.466 1.00 16.11 C ATOM 1211 SG CYS A 172 12.294 10.692 -12.916 1.00 19.63 S ATOM 0 H CYS A 172 11.535 10.493 -9.593 1.00 13.66 H new ATOM 0 HA CYS A 172 13.867 9.579 -10.640 1.00 15.59 H new ATOM 0 HB2 CYS A 172 12.720 12.116 -11.131 1.00 16.11 H new ATOM 0 HB3 CYS A 172 14.068 11.634 -11.750 1.00 16.11 H new ATOM 1212 N ILE A 173 15.445 11.202 -9.390 1.00 15.54 N ATOM 1213 CA ILE A 173 16.322 11.792 -8.386 1.00 15.77 C ATOM 1214 C ILE A 173 17.476 12.554 -9.059 1.00 16.23 C ATOM 1215 O ILE A 173 17.985 12.165 -10.129 1.00 16.18 O ATOM 1216 CB ILE A 173 16.889 10.707 -7.475 1.00 15.93 C ATOM 1217 CG1 ILE A 173 15.788 10.108 -6.602 1.00 16.99 C ATOM 1218 CG2 ILE A 173 18.013 11.253 -6.618 1.00 16.10 C ATOM 1219 CD1 ILE A 173 16.239 8.940 -5.761 1.00 19.32 C ATOM 0 H ILE A 173 15.842 11.015 -10.129 1.00 15.54 H new ATOM 0 HA ILE A 173 15.800 12.414 -7.855 1.00 15.77 H new ATOM 0 HB ILE A 173 17.252 10.003 -8.035 1.00 15.93 H new ATOM 0 HG12 ILE A 173 15.439 10.799 -6.018 1.00 16.99 H new ATOM 0 HG13 ILE A 173 15.057 9.822 -7.171 1.00 16.99 H new ATOM 0 HG21 ILE A 173 18.358 10.548 -6.048 1.00 16.10 H new ATOM 0 HG22 ILE A 173 18.724 11.583 -7.189 1.00 16.10 H new ATOM 0 HG23 ILE A 173 17.678 11.978 -6.068 1.00 16.10 H new ATOM 0 HD11 ILE A 173 15.493 8.612 -5.235 1.00 19.32 H new ATOM 0 HD12 ILE A 173 16.563 8.231 -6.338 1.00 19.32 H new ATOM 0 HD13 ILE A 173 16.952 9.224 -5.167 1.00 19.32 H new ATOM 1220 N ARG A 174 17.907 13.638 -8.425 1.00 16.31 N ATOM 1221 CA ARG A 174 19.023 14.408 -8.945 1.00 16.35 C ATOM 1222 C ARG A 174 19.617 15.343 -7.898 1.00 15.97 C ATOM 1223 O ARG A 174 18.985 15.650 -6.896 1.00 16.50 O ATOM 1224 CB ARG A 174 18.574 15.230 -10.141 1.00 16.52 C ATOM 1225 CG ARG A 174 17.542 16.233 -9.815 1.00 17.57 C ATOM 1226 CD ARG A 174 17.336 17.237 -10.895 1.00 19.44 C ATOM 1227 NE ARG A 174 16.207 18.089 -10.559 1.00 23.85 N ATOM 1228 CZ ARG A 174 15.775 19.093 -11.317 1.00 27.66 C ATOM 1229 NH1 ARG A 174 14.708 19.819 -10.935 1.00 26.80 N ATOM 1230 NH2 ARG A 174 16.410 19.369 -12.465 1.00 27.77 N ATOM 0 H ARG A 174 17.567 13.942 -7.696 1.00 16.31 H new ATOM 0 HA ARG A 174 19.708 13.774 -9.207 1.00 16.35 H new ATOM 0 HB2 ARG A 174 19.344 15.681 -10.521 1.00 16.52 H new ATOM 0 HB3 ARG A 174 18.230 14.633 -10.823 1.00 16.52 H new ATOM 0 HG2 ARG A 174 16.703 15.779 -9.639 1.00 17.57 H new ATOM 0 HG3 ARG A 174 17.793 16.692 -8.998 1.00 17.57 H new ATOM 0 HD2 ARG A 174 18.136 17.774 -11.007 1.00 19.44 H new ATOM 0 HD3 ARG A 174 17.175 16.789 -11.740 1.00 19.44 H new ATOM 0 HE ARG A 174 15.791 17.934 -9.822 1.00 23.85 H new ATOM 0 HH11 ARG A 174 14.303 19.634 -10.199 1.00 26.80 H new ATOM 0 HH12 ARG A 174 14.431 20.468 -11.427 1.00 26.80 H new ATOM 0 HH21 ARG A 174 17.089 18.899 -12.705 1.00 27.77 H new ATOM 0 HH22 ARG A 174 16.138 20.016 -12.962 1.00 27.77 H new ATOM 1231 N ASP A 175 20.822 15.820 -8.161 1.00 15.21 N ATOM 1232 CA ASP A 175 21.520 16.741 -7.259 1.00 14.82 C ATOM 1233 C ASP A 175 21.688 16.203 -5.835 1.00 15.17 C ATOM 1234 O ASP A 175 21.385 16.867 -4.852 1.00 14.21 O ATOM 1235 CB ASP A 175 20.865 18.109 -7.262 1.00 13.90 C ATOM 1236 CG ASP A 175 20.824 18.724 -8.646 1.00 12.94 C ATOM 1237 OD1 ASP A 175 20.006 19.655 -8.851 1.00 11.85 O ATOM 1238 OD2 ASP A 175 21.544 18.338 -9.604 1.00 8.39 O ATOM 0 H ASP A 175 21.266 15.622 -8.870 1.00 15.21 H new ATOM 0 HA ASP A 175 22.420 16.828 -7.611 1.00 14.82 H new ATOM 0 HB2 ASP A 175 19.962 18.033 -6.917 1.00 13.90 H new ATOM 0 HB3 ASP A 175 21.349 18.698 -6.663 1.00 13.90 H new ATOM 1239 N VAL A 176 22.240 14.998 -5.758 1.00 16.27 N ATOM 1240 CA VAL A 176 22.509 14.337 -4.489 1.00 16.98 C ATOM 1241 C VAL A 176 23.864 14.831 -3.936 1.00 17.44 C ATOM 1242 O VAL A 176 24.904 14.763 -4.604 1.00 16.25 O ATOM 1243 CB VAL A 176 22.554 12.793 -4.623 1.00 17.17 C ATOM 1244 CG1 VAL A 176 22.424 12.135 -3.261 1.00 16.88 C ATOM 1245 CG2 VAL A 176 21.455 12.276 -5.593 1.00 17.39 C ATOM 0 H VAL A 176 22.471 14.538 -6.447 1.00 16.27 H new ATOM 0 HA VAL A 176 21.783 14.560 -3.885 1.00 16.98 H new ATOM 0 HB VAL A 176 23.415 12.552 -5.000 1.00 17.17 H new ATOM 0 HG11 VAL A 176 22.454 11.171 -3.363 1.00 16.88 H new ATOM 0 HG12 VAL A 176 23.155 12.422 -2.691 1.00 16.88 H new ATOM 0 HG13 VAL A 176 21.580 12.391 -2.857 1.00 16.88 H new ATOM 0 HG21 VAL A 176 21.508 11.310 -5.656 1.00 17.39 H new ATOM 0 HG22 VAL A 176 20.581 12.530 -5.257 1.00 17.39 H new ATOM 0 HG23 VAL A 176 21.589 12.665 -6.471 1.00 17.39 H new ATOM 1246 N ILE A 177 23.815 15.322 -2.703 1.00 18.15 N ATOM 1247 CA ILE A 177 24.976 15.826 -2.012 1.00 18.64 C ATOM 1248 C ILE A 177 25.170 15.030 -0.728 1.00 19.64 C ATOM 1249 O ILE A 177 24.350 15.082 0.160 1.00 21.22 O ATOM 1250 CB ILE A 177 24.753 17.283 -1.649 1.00 18.41 C ATOM 1251 CG1 ILE A 177 24.426 18.135 -2.885 1.00 17.95 C ATOM 1252 CG2 ILE A 177 25.939 17.791 -0.887 1.00 17.71 C ATOM 1253 CD1 ILE A 177 25.484 18.167 -3.933 1.00 16.96 C ATOM 0 H ILE A 177 23.090 15.369 -2.243 1.00 18.15 H new ATOM 0 HA ILE A 177 25.756 15.743 -2.582 1.00 18.64 H new ATOM 0 HB ILE A 177 23.974 17.354 -1.075 1.00 18.41 H new ATOM 0 HG12 ILE A 177 23.607 17.800 -3.283 1.00 17.95 H new ATOM 0 HG13 ILE A 177 24.250 19.044 -2.596 1.00 17.95 H new ATOM 0 HG21 ILE A 177 25.799 18.722 -0.654 1.00 17.71 H new ATOM 0 HG22 ILE A 177 26.052 17.269 -0.078 1.00 17.71 H new ATOM 0 HG23 ILE A 177 26.735 17.712 -1.436 1.00 17.71 H new ATOM 0 HD11 ILE A 177 25.192 18.725 -4.671 1.00 16.96 H new ATOM 0 HD12 ILE A 177 26.301 18.530 -3.557 1.00 16.96 H new ATOM 0 HD13 ILE A 177 25.648 17.267 -4.255 1.00 16.96 H new ATOM 1254 N VAL A 178 26.247 14.283 -0.621 1.00 20.76 N ATOM 1255 CA VAL A 178 26.534 13.539 0.600 1.00 21.26 C ATOM 1256 C VAL A 178 27.865 14.025 1.187 1.00 21.35 C ATOM 1257 O VAL A 178 28.926 13.909 0.557 1.00 19.57 O ATOM 1258 CB VAL A 178 26.602 12.036 0.330 1.00 21.62 C ATOM 1259 CG1 VAL A 178 27.233 11.328 1.491 1.00 22.46 C ATOM 1260 CG2 VAL A 178 25.211 11.483 0.097 1.00 22.07 C ATOM 0 H VAL A 178 26.832 14.188 -1.244 1.00 20.76 H new ATOM 0 HA VAL A 178 25.816 13.696 1.233 1.00 21.26 H new ATOM 0 HB VAL A 178 27.141 11.891 -0.463 1.00 21.62 H new ATOM 0 HG11 VAL A 178 27.271 10.376 1.308 1.00 22.46 H new ATOM 0 HG12 VAL A 178 28.132 11.666 1.627 1.00 22.46 H new ATOM 0 HG13 VAL A 178 26.705 11.483 2.290 1.00 22.46 H new ATOM 0 HG21 VAL A 178 25.266 10.530 -0.073 1.00 22.07 H new ATOM 0 HG22 VAL A 178 24.664 11.640 0.883 1.00 22.07 H new ATOM 0 HG23 VAL A 178 24.811 11.925 -0.668 1.00 22.07 H new ATOM 1261 N ASP A 179 27.769 14.624 2.374 1.00 22.14 N ATOM 1262 CA ASP A 179 28.924 15.163 3.084 1.00 22.82 C ATOM 1263 C ASP A 179 29.823 16.054 2.198 1.00 22.93 C ATOM 1264 O ASP A 179 30.986 15.711 1.927 1.00 22.70 O ATOM 1265 CB ASP A 179 29.757 14.016 3.652 1.00 23.39 C ATOM 1266 CG ASP A 179 28.972 13.106 4.555 1.00 23.53 C ATOM 1267 OD1 ASP A 179 29.447 11.964 4.773 1.00 22.62 O ATOM 1268 OD2 ASP A 179 27.892 13.440 5.086 1.00 26.05 O ATOM 0 H ASP A 179 27.024 14.729 2.792 1.00 22.14 H new ATOM 0 HA ASP A 179 28.577 15.725 3.795 1.00 22.82 H new ATOM 0 HB2 ASP A 179 30.124 13.497 2.919 1.00 23.39 H new ATOM 0 HB3 ASP A 179 30.508 14.382 4.145 1.00 23.39 H new ATOM 1269 N ARG A 180 29.284 17.184 1.759 1.00 23.00 N ATOM 1270 CA ARG A 180 30.038 18.163 0.973 1.00 23.82 C ATOM 1271 C ARG A 180 30.591 17.672 -0.368 1.00 23.33 C ATOM 1272 O ARG A 180 31.317 18.389 -1.046 1.00 23.21 O ATOM 1273 CB ARG A 180 31.198 18.714 1.810 1.00 24.37 C ATOM 1274 CG ARG A 180 30.805 19.068 3.219 1.00 26.88 C ATOM 1275 CD ARG A 180 31.923 19.589 4.029 1.00 29.90 C ATOM 1276 NE ARG A 180 32.544 20.741 3.397 1.00 33.16 N ATOM 1277 CZ ARG A 180 33.538 21.438 3.940 1.00 36.41 C ATOM 1278 NH1 ARG A 180 34.085 22.459 3.277 1.00 36.65 N ATOM 1279 NH2 ARG A 180 33.987 21.117 5.153 1.00 37.09 N ATOM 0 H ARG A 180 28.467 17.409 1.907 1.00 23.00 H new ATOM 0 HA ARG A 180 29.385 18.845 0.749 1.00 23.82 H new ATOM 0 HB2 ARG A 180 31.910 18.056 1.836 1.00 24.37 H new ATOM 0 HB3 ARG A 180 31.556 19.503 1.374 1.00 24.37 H new ATOM 0 HG2 ARG A 180 30.098 19.731 3.193 1.00 26.88 H new ATOM 0 HG3 ARG A 180 30.440 18.281 3.653 1.00 26.88 H new ATOM 0 HD2 ARG A 180 31.599 19.836 4.909 1.00 29.90 H new ATOM 0 HD3 ARG A 180 32.585 18.892 4.156 1.00 29.90 H new ATOM 0 HE ARG A 180 32.251 20.986 2.626 1.00 33.16 H new ATOM 0 HH11 ARG A 180 33.795 22.669 2.495 1.00 36.65 H new ATOM 0 HH12 ARG A 180 34.728 22.907 3.632 1.00 36.65 H new ATOM 0 HH21 ARG A 180 33.634 20.461 5.582 1.00 37.09 H new ATOM 0 HH22 ARG A 180 34.630 21.566 5.506 1.00 37.09 H new ATOM 1280 N GLN A 181 30.273 16.452 -0.766 1.00 23.10 N ATOM 1281 CA GLN A 181 30.754 15.982 -2.061 1.00 22.56 C ATOM 1282 C GLN A 181 29.504 15.716 -2.843 1.00 21.10 C ATOM 1283 O GLN A 181 28.541 15.264 -2.267 1.00 19.96 O ATOM 1284 CB GLN A 181 31.554 14.684 -1.923 1.00 23.14 C ATOM 1285 CG GLN A 181 32.874 14.603 -2.695 1.00 24.57 C ATOM 1286 CD GLN A 181 32.863 15.428 -3.974 1.00 27.29 C ATOM 1287 OE1 GLN A 181 31.913 15.321 -4.771 1.00 28.02 O ATOM 1288 NE2 GLN A 181 33.911 16.259 -4.178 1.00 26.22 N ATOM 0 H GLN A 181 29.795 15.893 -0.321 1.00 23.10 H new ATOM 0 HA GLN A 181 31.344 16.628 -2.480 1.00 22.56 H new ATOM 0 HB2 GLN A 181 31.745 14.545 -0.982 1.00 23.14 H new ATOM 0 HB3 GLN A 181 30.990 13.949 -2.210 1.00 23.14 H new ATOM 0 HG2 GLN A 181 33.596 14.909 -2.124 1.00 24.57 H new ATOM 0 HG3 GLN A 181 33.059 13.676 -2.915 1.00 24.57 H new ATOM 0 HE21 GLN A 181 34.546 16.300 -3.599 1.00 26.22 H new ATOM 0 HE22 GLN A 181 33.942 16.746 -4.886 1.00 26.22 H new ATOM 1289 N GLU A 182 29.526 16.020 -4.137 1.00 19.94 N ATOM 1290 CA GLU A 182 28.390 15.785 -5.007 1.00 19.24 C ATOM 1291 C GLU A 182 28.482 14.397 -5.600 1.00 18.76 C ATOM 1292 O GLU A 182 29.541 13.968 -5.989 1.00 19.29 O ATOM 1293 CB GLU A 182 28.392 16.793 -6.136 1.00 19.32 C ATOM 1294 CG GLU A 182 27.224 16.683 -7.080 1.00 18.07 C ATOM 1295 CD GLU A 182 27.365 17.596 -8.270 1.00 18.13 C ATOM 1296 OE1 GLU A 182 28.297 17.425 -9.052 1.00 20.39 O ATOM 1297 OE2 GLU A 182 26.549 18.497 -8.439 1.00 19.71 O ATOM 0 H GLU A 182 30.205 16.370 -4.533 1.00 19.94 H new ATOM 0 HA GLU A 182 27.575 15.872 -4.488 1.00 19.24 H new ATOM 0 HB2 GLU A 182 28.402 17.686 -5.756 1.00 19.32 H new ATOM 0 HB3 GLU A 182 29.213 16.691 -6.643 1.00 19.32 H new ATOM 0 HG2 GLU A 182 27.143 15.766 -7.386 1.00 18.07 H new ATOM 0 HG3 GLU A 182 26.406 16.897 -6.605 1.00 18.07 H new ATOM 1298 N LEU A 183 27.364 13.708 -5.689 1.00 18.09 N ATOM 1299 CA LEU A 183 27.321 12.348 -6.194 1.00 17.39 C ATOM 1300 C LEU A 183 26.957 12.263 -7.671 1.00 17.06 C ATOM 1301 O LEU A 183 25.856 12.604 -8.082 1.00 17.04 O ATOM 1302 CB LEU A 183 26.263 11.578 -5.402 1.00 17.39 C ATOM 1303 CG LEU A 183 26.425 10.086 -5.451 1.00 16.48 C ATOM 1304 CD1 LEU A 183 27.661 9.800 -4.719 1.00 16.59 C ATOM 1305 CD2 LEU A 183 25.274 9.378 -4.817 1.00 17.52 C ATOM 0 H LEU A 183 26.597 14.018 -5.456 1.00 18.09 H new ATOM 0 HA LEU A 183 28.211 11.975 -6.092 1.00 17.39 H new ATOM 0 HB2 LEU A 183 26.292 11.867 -4.476 1.00 17.39 H new ATOM 0 HB3 LEU A 183 25.385 11.810 -5.744 1.00 17.39 H new ATOM 0 HG LEU A 183 26.459 9.775 -6.369 1.00 16.48 H new ATOM 0 HD11 LEU A 183 27.821 8.843 -4.716 1.00 16.59 H new ATOM 0 HD12 LEU A 183 28.404 10.250 -5.150 1.00 16.59 H new ATOM 0 HD13 LEU A 183 27.577 10.117 -3.806 1.00 16.59 H new ATOM 0 HD21 LEU A 183 25.415 8.420 -4.868 1.00 17.52 H new ATOM 0 HD22 LEU A 183 25.202 9.644 -3.887 1.00 17.52 H new ATOM 0 HD23 LEU A 183 24.455 9.609 -5.283 1.00 17.52 H new ATOM 1306 N HIS A 184 27.863 11.747 -8.472 1.00 17.11 N ATOM 1307 CA HIS A 184 27.577 11.559 -9.873 1.00 16.97 C ATOM 1308 C HIS A 184 26.877 10.224 -9.983 1.00 16.74 C ATOM 1309 O HIS A 184 27.515 9.191 -9.999 1.00 17.06 O ATOM 1310 CB HIS A 184 28.866 11.563 -10.655 1.00 16.82 C ATOM 1311 CG HIS A 184 29.719 12.761 -10.385 1.00 18.38 C ATOM 1312 ND1 HIS A 184 31.083 12.683 -10.202 1.00 21.54 N ATOM 1313 CD2 HIS A 184 29.398 14.069 -10.252 1.00 19.61 C ATOM 1314 CE1 HIS A 184 31.561 13.895 -9.977 1.00 22.92 C ATOM 1315 NE2 HIS A 184 30.558 14.754 -10.003 1.00 18.91 N ATOM 0 H HIS A 184 28.649 11.499 -8.225 1.00 17.11 H new ATOM 0 HA HIS A 184 27.020 12.267 -10.232 1.00 16.97 H new ATOM 0 HB2 HIS A 184 29.369 10.761 -10.442 1.00 16.82 H new ATOM 0 HB3 HIS A 184 28.662 11.526 -11.603 1.00 16.82 H new ATOM 0 HD2 HIS A 184 28.546 14.436 -10.318 1.00 19.61 H new ATOM 0 HE1 HIS A 184 32.454 14.107 -9.826 1.00 22.92 H new ATOM 0 HE2 HIS A 184 30.622 15.603 -9.883 1.00 18.91 H new ATOM 1316 N LEU A 185 25.557 10.242 -10.022 1.00 16.24 N ATOM 1317 CA LEU A 185 24.789 9.005 -10.085 1.00 16.46 C ATOM 1318 C LEU A 185 25.362 7.908 -11.014 1.00 16.26 C ATOM 1319 O LEU A 185 25.654 6.808 -10.577 1.00 16.08 O ATOM 1320 CB LEU A 185 23.333 9.313 -10.450 1.00 16.50 C ATOM 1321 CG LEU A 185 22.674 10.297 -9.491 1.00 16.77 C ATOM 1322 CD1 LEU A 185 21.319 10.715 -9.989 1.00 16.86 C ATOM 1323 CD2 LEU A 185 22.573 9.688 -8.113 1.00 17.59 C ATOM 0 H LEU A 185 25.082 10.959 -10.013 1.00 16.24 H new ATOM 0 HA LEU A 185 24.848 8.624 -9.195 1.00 16.46 H new ATOM 0 HB2 LEU A 185 23.300 9.674 -11.350 1.00 16.50 H new ATOM 0 HB3 LEU A 185 22.825 8.487 -10.457 1.00 16.50 H new ATOM 0 HG LEU A 185 23.227 11.092 -9.441 1.00 16.77 H new ATOM 0 HD11 LEU A 185 20.922 11.340 -9.362 1.00 16.86 H new ATOM 0 HD12 LEU A 185 21.410 11.141 -10.856 1.00 16.86 H new ATOM 0 HD13 LEU A 185 20.749 9.934 -10.071 1.00 16.86 H new ATOM 0 HD21 LEU A 185 22.153 10.321 -7.509 1.00 17.59 H new ATOM 0 HD22 LEU A 185 22.040 8.879 -8.155 1.00 17.59 H new ATOM 0 HD23 LEU A 185 23.461 9.473 -7.788 1.00 17.59 H new ATOM 1324 N VAL A 186 25.503 8.203 -12.290 1.00 16.25 N ATOM 1325 CA VAL A 186 25.970 7.217 -13.238 1.00 16.53 C ATOM 1326 C VAL A 186 27.400 6.800 -12.903 1.00 17.21 C ATOM 1327 O VAL A 186 27.670 5.711 -12.377 1.00 16.87 O ATOM 1328 CB VAL A 186 25.914 7.790 -14.692 1.00 16.30 C ATOM 1329 CG1 VAL A 186 26.599 6.882 -15.675 1.00 16.28 C ATOM 1330 CG2 VAL A 186 24.496 8.033 -15.132 1.00 16.62 C ATOM 0 H VAL A 186 25.332 8.974 -12.630 1.00 16.25 H new ATOM 0 HA VAL A 186 25.391 6.440 -13.183 1.00 16.53 H new ATOM 0 HB VAL A 186 26.386 8.637 -14.675 1.00 16.30 H new ATOM 0 HG11 VAL A 186 26.545 7.267 -16.564 1.00 16.28 H new ATOM 0 HG12 VAL A 186 27.530 6.777 -15.424 1.00 16.28 H new ATOM 0 HG13 VAL A 186 26.164 6.015 -15.672 1.00 16.28 H new ATOM 0 HG21 VAL A 186 24.493 8.387 -16.035 1.00 16.62 H new ATOM 0 HG22 VAL A 186 24.003 7.198 -15.111 1.00 16.62 H new ATOM 0 HG23 VAL A 186 24.076 8.671 -14.534 1.00 16.62 H new ATOM 1331 N GLU A 187 28.309 7.711 -13.227 1.00 18.02 N ATOM 1332 CA GLU A 187 29.747 7.542 -13.093 1.00 17.93 C ATOM 1333 C GLU A 187 30.288 7.044 -11.740 1.00 17.54 C ATOM 1334 O GLU A 187 31.323 6.431 -11.692 1.00 17.61 O ATOM 1335 CB GLU A 187 30.357 8.870 -13.458 1.00 18.21 C ATOM 1336 CG GLU A 187 30.015 9.308 -14.873 1.00 19.39 C ATOM 1337 CD GLU A 187 30.930 8.690 -15.907 1.00 21.63 C ATOM 1338 OE1 GLU A 187 30.734 9.009 -17.108 1.00 22.18 O ATOM 1339 OE2 GLU A 187 31.855 7.912 -15.525 1.00 23.06 O ATOM 0 H GLU A 187 28.093 8.480 -13.546 1.00 18.02 H new ATOM 0 HA GLU A 187 29.999 6.813 -13.681 1.00 17.93 H new ATOM 0 HB2 GLU A 187 30.050 9.545 -12.832 1.00 18.21 H new ATOM 0 HB3 GLU A 187 31.321 8.815 -13.365 1.00 18.21 H new ATOM 0 HG2 GLU A 187 29.097 9.065 -15.071 1.00 19.39 H new ATOM 0 HG3 GLU A 187 30.071 10.275 -14.932 1.00 19.39 H new ATOM 1340 N ASP A 188 29.577 7.274 -10.653 1.00 17.52 N ATOM 1341 CA ASP A 188 29.997 6.803 -9.336 1.00 17.07 C ATOM 1342 C ASP A 188 29.353 5.478 -8.932 1.00 16.71 C ATOM 1343 O ASP A 188 29.833 4.797 -8.033 1.00 15.87 O ATOM 1344 CB ASP A 188 29.646 7.854 -8.299 1.00 17.46 C ATOM 1345 CG ASP A 188 30.568 9.022 -8.353 1.00 16.64 C ATOM 1346 OD1 ASP A 188 30.211 10.119 -7.864 1.00 17.21 O ATOM 1347 OD2 ASP A 188 31.680 8.913 -8.874 1.00 13.98 O ATOM 0 H ASP A 188 28.835 7.708 -10.652 1.00 17.52 H new ATOM 0 HA ASP A 188 30.954 6.653 -9.383 1.00 17.07 H new ATOM 0 HB2 ASP A 188 28.735 8.155 -8.441 1.00 17.46 H new ATOM 0 HB3 ASP A 188 29.679 7.458 -7.414 1.00 17.46 H new ATOM 1348 N ALA A 189 28.238 5.142 -9.566 1.00 16.80 N ATOM 1349 CA ALA A 189 27.576 3.876 -9.312 1.00 17.34 C ATOM 1350 C ALA A 189 28.564 2.736 -9.418 1.00 17.65 C ATOM 1351 O ALA A 189 29.327 2.662 -10.380 1.00 17.66 O ATOM 1352 CB ALA A 189 26.457 3.671 -10.304 1.00 17.55 C ATOM 0 H ALA A 189 27.848 5.638 -10.150 1.00 16.80 H new ATOM 0 HA ALA A 189 27.210 3.893 -8.414 1.00 17.34 H new ATOM 0 HB1 ALA A 189 26.020 2.823 -10.128 1.00 17.55 H new ATOM 0 HB2 ALA A 189 25.813 4.391 -10.218 1.00 17.55 H new ATOM 0 HB3 ALA A 189 26.819 3.667 -11.204 1.00 17.55 H new ATOM 1353 N LEU A 190 28.544 1.834 -8.443 1.00 18.15 N ATOM 1354 CA LEU A 190 29.484 0.717 -8.435 1.00 18.58 C ATOM 1355 C LEU A 190 28.936 -0.633 -8.851 1.00 18.68 C ATOM 1356 O LEU A 190 29.689 -1.586 -8.940 1.00 18.71 O ATOM 1357 CB LEU A 190 30.130 0.595 -7.057 1.00 18.68 C ATOM 1358 CG LEU A 190 30.931 1.827 -6.635 1.00 20.40 C ATOM 1359 CD1 LEU A 190 31.645 1.586 -5.339 1.00 21.42 C ATOM 1360 CD2 LEU A 190 31.956 2.203 -7.714 1.00 21.89 C ATOM 0 H LEU A 190 27.997 1.849 -7.779 1.00 18.15 H new ATOM 0 HA LEU A 190 30.128 0.945 -9.124 1.00 18.58 H new ATOM 0 HB2 LEU A 190 29.437 0.430 -6.399 1.00 18.68 H new ATOM 0 HB3 LEU A 190 30.716 -0.178 -7.052 1.00 18.68 H new ATOM 0 HG LEU A 190 30.303 2.557 -6.519 1.00 20.40 H new ATOM 0 HD11 LEU A 190 32.145 2.380 -5.092 1.00 21.42 H new ATOM 0 HD12 LEU A 190 30.998 1.384 -4.645 1.00 21.42 H new ATOM 0 HD13 LEU A 190 32.255 0.838 -5.439 1.00 21.42 H new ATOM 0 HD21 LEU A 190 32.454 2.985 -7.429 1.00 21.89 H new ATOM 0 HD22 LEU A 190 32.568 1.463 -7.851 1.00 21.89 H new ATOM 0 HD23 LEU A 190 31.495 2.399 -8.545 1.00 21.89 H new ATOM 1361 N ASN A 191 27.645 -0.737 -9.114 1.00 19.30 N ATOM 1362 CA ASN A 191 27.074 -2.028 -9.470 1.00 19.84 C ATOM 1363 C ASN A 191 26.491 -2.073 -10.882 1.00 20.44 C ATOM 1364 O ASN A 191 25.562 -2.828 -11.153 1.00 20.91 O ATOM 1365 CB ASN A 191 26.000 -2.403 -8.456 1.00 19.54 C ATOM 1366 CG ASN A 191 24.735 -1.635 -8.664 1.00 18.88 C ATOM 1367 OD1 ASN A 191 24.725 -0.410 -8.636 1.00 15.07 O ATOM 1368 ND2 ASN A 191 23.655 -2.353 -8.901 1.00 20.28 N ATOM 0 H ASN A 191 27.086 -0.083 -9.093 1.00 19.30 H new ATOM 0 HA ASN A 191 27.802 -2.669 -9.455 1.00 19.84 H new ATOM 0 HB2 ASN A 191 25.814 -3.353 -8.520 1.00 19.54 H new ATOM 0 HB3 ASN A 191 26.332 -2.239 -7.560 1.00 19.54 H new ATOM 0 HD21 ASN A 191 22.902 -1.963 -9.044 1.00 20.28 H new ATOM 0 HD22 ASN A 191 23.703 -3.212 -8.912 1.00 20.28 H new ATOM 1369 N ASN A 192 27.026 -1.247 -11.771 1.00 20.92 N ATOM 1370 CA ASN A 192 26.559 -1.182 -13.158 1.00 21.25 C ATOM 1371 C ASN A 192 25.065 -1.427 -13.386 1.00 20.96 C ATOM 1372 O ASN A 192 24.685 -2.448 -13.965 1.00 20.73 O ATOM 1373 CB ASN A 192 27.342 -2.177 -13.996 1.00 21.50 C ATOM 1374 CG ASN A 192 27.134 -1.970 -15.479 1.00 22.84 C ATOM 1375 OD1 ASN A 192 26.083 -1.529 -15.906 1.00 25.39 O ATOM 1376 ND2 ASN A 192 28.139 -2.297 -16.271 1.00 25.97 N ATOM 0 H ASN A 192 27.670 -0.706 -11.592 1.00 20.92 H new ATOM 0 HA ASN A 192 26.710 -0.261 -13.422 1.00 21.25 H new ATOM 0 HB2 ASN A 192 28.287 -2.097 -13.790 1.00 21.50 H new ATOM 0 HB3 ASN A 192 27.075 -3.078 -13.757 1.00 21.50 H new ATOM 0 HD21 ASN A 192 28.064 -2.201 -17.122 1.00 25.97 H new ATOM 0 HD22 ASN A 192 28.868 -2.606 -15.935 1.00 25.97 H new ATOM 1377 N PRO A 193 24.212 -0.511 -12.949 1.00 20.84 N ATOM 1378 CA PRO A 193 22.777 -0.680 -13.144 1.00 21.23 C ATOM 1379 C PRO A 193 22.297 -0.082 -14.461 1.00 21.55 C ATOM 1380 O PRO A 193 23.059 0.691 -15.078 1.00 21.60 O ATOM 1381 CB PRO A 193 22.211 0.088 -11.978 1.00 21.14 C ATOM 1382 CG PRO A 193 23.095 1.260 -11.953 1.00 21.22 C ATOM 1383 CD PRO A 193 24.492 0.726 -12.209 1.00 20.72 C ATOM 0 HA PRO A 193 22.508 -1.611 -13.184 1.00 21.23 H new ATOM 0 HB2 PRO A 193 21.283 0.332 -12.116 1.00 21.14 H new ATOM 0 HB3 PRO A 193 22.251 -0.419 -11.152 1.00 21.14 H new ATOM 0 HG2 PRO A 193 22.839 1.904 -12.631 1.00 21.22 H new ATOM 0 HG3 PRO A 193 23.047 1.714 -11.097 1.00 21.22 H new ATOM 0 HD2 PRO A 193 25.029 1.346 -12.727 1.00 20.72 H new ATOM 0 HD3 PRO A 193 24.973 0.555 -11.384 1.00 20.72 H new ATOM 1384 N THR A 194 21.069 -0.440 -14.877 1.00 21.33 N ATOM 1385 CA THR A 194 20.515 0.060 -16.128 1.00 21.20 C ATOM 1386 C THR A 194 20.141 1.503 -15.986 1.00 21.32 C ATOM 1387 O THR A 194 19.291 1.856 -15.176 1.00 21.28 O ATOM 1388 CB THR A 194 19.322 -0.758 -16.636 1.00 21.22 C ATOM 1389 OG1 THR A 194 19.786 -1.954 -17.280 1.00 20.55 O ATOM 1390 CG2 THR A 194 18.634 -0.033 -17.778 1.00 20.57 C ATOM 0 H THR A 194 20.549 -0.971 -14.444 1.00 21.33 H new ATOM 0 HA THR A 194 21.211 -0.033 -16.797 1.00 21.20 H new ATOM 0 HB THR A 194 18.750 -0.915 -15.868 1.00 21.22 H new ATOM 0 HG1 THR A 194 19.128 -2.398 -17.555 1.00 20.55 H new ATOM 0 HG21 THR A 194 17.882 -0.560 -18.090 1.00 20.57 H new ATOM 0 HG22 THR A 194 18.317 0.830 -17.469 1.00 20.57 H new ATOM 0 HG23 THR A 194 19.263 0.095 -18.506 1.00 20.57 H new ATOM 1391 N ILE A 195 20.808 2.326 -16.792 1.00 21.84 N ATOM 1392 CA ILE A 195 20.623 3.763 -16.789 1.00 22.07 C ATOM 1393 C ILE A 195 19.440 4.184 -17.629 1.00 21.92 C ATOM 1394 O ILE A 195 19.397 3.934 -18.817 1.00 21.33 O ATOM 1395 CB ILE A 195 21.887 4.421 -17.324 1.00 22.33 C ATOM 1396 CG1 ILE A 195 23.113 3.736 -16.737 1.00 22.55 C ATOM 1397 CG2 ILE A 195 21.905 5.917 -16.989 1.00 23.18 C ATOM 1398 CD1 ILE A 195 23.131 3.724 -15.255 1.00 22.46 C ATOM 0 H ILE A 195 21.390 2.054 -17.364 1.00 21.84 H new ATOM 0 HA ILE A 195 20.448 4.044 -15.877 1.00 22.07 H new ATOM 0 HB ILE A 195 21.900 4.327 -18.289 1.00 22.33 H new ATOM 0 HG12 ILE A 195 23.150 2.823 -17.061 1.00 22.55 H new ATOM 0 HG13 ILE A 195 23.910 4.184 -17.059 1.00 22.55 H new ATOM 0 HG21 ILE A 195 22.717 6.317 -17.338 1.00 23.18 H new ATOM 0 HG22 ILE A 195 21.134 6.348 -17.390 1.00 23.18 H new ATOM 0 HG23 ILE A 195 21.875 6.034 -16.026 1.00 23.18 H new ATOM 0 HD11 ILE A 195 23.933 3.276 -14.945 1.00 22.46 H new ATOM 0 HD12 ILE A 195 23.122 4.636 -14.924 1.00 22.46 H new ATOM 0 HD13 ILE A 195 22.350 3.253 -14.926 1.00 22.46 H new ATOM 1399 N LEU A 196 18.479 4.821 -16.990 1.00 22.39 N ATOM 1400 CA LEU A 196 17.301 5.332 -17.671 1.00 23.31 C ATOM 1401 C LEU A 196 17.177 6.772 -17.244 1.00 23.58 C ATOM 1402 O LEU A 196 16.919 7.045 -16.078 1.00 23.29 O ATOM 1403 CB LEU A 196 16.007 4.599 -17.245 1.00 23.66 C ATOM 1404 CG LEU A 196 15.728 3.132 -17.587 1.00 24.25 C ATOM 1405 CD1 LEU A 196 16.743 2.219 -16.968 1.00 24.97 C ATOM 1406 CD2 LEU A 196 14.370 2.763 -17.065 1.00 25.22 C ATOM 0 H LEU A 196 18.489 4.972 -16.143 1.00 22.39 H new ATOM 0 HA LEU A 196 17.402 5.211 -18.628 1.00 23.31 H new ATOM 0 HB2 LEU A 196 15.955 4.671 -16.279 1.00 23.66 H new ATOM 0 HB3 LEU A 196 15.268 5.112 -17.608 1.00 23.66 H new ATOM 0 HG LEU A 196 15.773 3.031 -18.551 1.00 24.25 H new ATOM 0 HD11 LEU A 196 16.538 1.300 -17.203 1.00 24.97 H new ATOM 0 HD12 LEU A 196 17.627 2.447 -17.296 1.00 24.97 H new ATOM 0 HD13 LEU A 196 16.722 2.318 -16.003 1.00 24.97 H new ATOM 0 HD21 LEU A 196 14.183 1.835 -17.276 1.00 25.22 H new ATOM 0 HD22 LEU A 196 14.349 2.886 -16.103 1.00 25.22 H new ATOM 0 HD23 LEU A 196 13.700 3.330 -17.478 1.00 25.22 H new ATOM 1407 N HIS A 197 17.361 7.708 -18.161 1.00 24.45 N ATOM 1408 CA HIS A 197 17.248 9.106 -17.767 1.00 25.06 C ATOM 1409 C HIS A 197 15.844 9.364 -17.334 1.00 25.04 C ATOM 1410 O HIS A 197 15.061 8.437 -17.320 1.00 25.78 O ATOM 1411 CB HIS A 197 17.705 10.030 -18.870 1.00 25.23 C ATOM 1412 CG HIS A 197 19.182 10.141 -18.939 1.00 25.05 C ATOM 1413 ND1 HIS A 197 20.083 9.580 -19.777 1.00 26.36 N flip ATOM 1414 CD2 HIS A 197 19.904 10.866 -18.021 1.00 26.84 C flip ATOM 1415 CE1 HIS A 197 21.330 10.004 -19.377 1.00 27.88 C flip ATOM 1416 NE2 HIS A 197 21.194 10.774 -18.311 1.00 27.30 N flip ATOM 0 H HIS A 197 17.546 7.566 -18.989 1.00 24.45 H new ATOM 0 HA HIS A 197 17.838 9.290 -17.019 1.00 25.06 H new ATOM 0 HB2 HIS A 197 17.367 9.707 -19.720 1.00 25.23 H new ATOM 0 HB3 HIS A 197 17.323 10.911 -18.730 1.00 25.23 H new ATOM 0 HD2 HIS A 197 19.544 11.345 -17.310 1.00 26.84 H new ATOM 0 HE1 HIS A 197 22.135 9.785 -19.788 1.00 27.88 H new ATOM 0 HE2 HIS A 197 21.834 11.151 -17.879 1.00 27.30 H new ATOM 1417 N CYS A 198 15.515 10.595 -16.969 1.00 25.32 N ATOM 1418 CA CYS A 198 14.180 10.880 -16.431 1.00 25.62 C ATOM 1419 C CYS A 198 13.150 11.552 -17.365 1.00 26.15 C ATOM 1420 O CYS A 198 13.456 11.980 -18.469 1.00 25.65 O ATOM 1421 CB CYS A 198 14.340 11.687 -15.149 1.00 25.25 C ATOM 1422 SG CYS A 198 12.791 12.056 -14.353 1.00 24.24 S ATOM 0 H CYS A 198 16.038 11.276 -17.021 1.00 25.32 H new ATOM 0 HA CYS A 198 13.786 10.006 -16.284 1.00 25.62 H new ATOM 0 HB2 CYS A 198 14.904 11.195 -14.532 1.00 25.25 H new ATOM 0 HB3 CYS A 198 14.798 12.517 -15.352 1.00 25.25 H new ATOM 1423 N SER A 199 11.908 11.613 -16.888 1.00 27.51 N ATOM 1424 CA SER A 199 10.775 12.229 -17.616 1.00 28.19 C ATOM 1425 C SER A 199 10.011 11.251 -18.511 1.00 28.44 C ATOM 1426 O SER A 199 10.469 10.162 -18.870 1.00 28.67 O ATOM 1427 CB SER A 199 11.236 13.435 -18.458 1.00 28.58 C ATOM 1428 OG SER A 199 10.133 14.144 -18.997 1.00 28.16 O ATOM 0 H SER A 199 11.687 11.295 -16.120 1.00 27.51 H new ATOM 0 HA SER A 199 10.163 12.524 -16.923 1.00 28.19 H new ATOM 0 HB2 SER A 199 11.768 14.031 -17.908 1.00 28.58 H new ATOM 0 HB3 SER A 199 11.808 13.128 -19.179 1.00 28.58 H new ATOM 0 HG SER A 199 10.412 14.795 -19.449 1.00 28.16 H new TER 1429 SER A 199 ATOM 1430 N ASP B 11 21.242 5.601 28.417 1.00 54.69 N ATOM 1431 CA ASP B 11 20.239 4.838 29.240 1.00 53.70 C ATOM 1432 C ASP B 11 19.410 5.982 29.809 1.00 51.56 C ATOM 1433 O ASP B 11 19.595 7.154 29.430 1.00 51.94 O ATOM 1434 CB ASP B 11 20.925 4.009 30.343 1.00 54.49 C ATOM 1435 CG ASP B 11 19.986 3.008 31.051 1.00 57.82 C ATOM 1436 OD1 ASP B 11 20.283 2.674 32.249 1.00 63.11 O ATOM 1437 OD2 ASP B 11 18.967 2.488 30.515 1.00 61.67 O ATOM 0 HA ASP B 11 19.722 4.182 28.746 1.00 53.70 H new ATOM 0 HB2 ASP B 11 21.668 3.522 29.954 1.00 54.49 H new ATOM 0 HB3 ASP B 11 21.297 4.613 31.005 1.00 54.49 H new ATOM 1438 N ALA B 12 18.464 5.662 30.670 1.00 48.62 N ATOM 1439 CA ALA B 12 17.665 6.688 31.319 1.00 46.28 C ATOM 1440 C ALA B 12 18.323 8.044 31.310 1.00 43.78 C ATOM 1441 O ALA B 12 19.202 8.313 32.116 1.00 42.99 O ATOM 1442 CB ALA B 12 17.361 6.287 32.751 1.00 46.49 C ATOM 0 H ALA B 12 18.266 4.856 30.895 1.00 48.62 H new ATOM 0 HA ALA B 12 16.845 6.762 30.807 1.00 46.28 H new ATOM 0 HB1 ALA B 12 16.828 6.978 33.175 1.00 46.49 H new ATOM 0 HB2 ALA B 12 16.869 5.451 32.756 1.00 46.49 H new ATOM 0 HB3 ALA B 12 18.192 6.175 33.239 1.00 46.49 H new ATOM 1443 N GLU B 13 17.883 8.897 30.397 1.00 41.57 N ATOM 1444 CA GLU B 13 18.361 10.278 30.350 1.00 39.96 C ATOM 1445 C GLU B 13 17.654 11.003 31.478 1.00 38.54 C ATOM 1446 O GLU B 13 16.464 11.311 31.379 1.00 38.51 O ATOM 1447 CB GLU B 13 18.014 10.946 29.023 1.00 39.68 C ATOM 1448 CG GLU B 13 18.707 12.268 28.792 1.00 38.07 C ATOM 1449 CD GLU B 13 18.302 12.899 27.471 1.00 37.23 C ATOM 1450 OE1 GLU B 13 19.094 13.731 26.939 1.00 38.52 O ATOM 1451 OE2 GLU B 13 17.212 12.554 26.951 1.00 31.88 O ATOM 0 H GLU B 13 17.305 8.699 29.792 1.00 41.57 H new ATOM 0 HA GLU B 13 19.327 10.305 30.438 1.00 39.96 H new ATOM 0 HB2 GLU B 13 18.243 10.342 28.299 1.00 39.68 H new ATOM 0 HB3 GLU B 13 17.055 11.085 28.984 1.00 39.68 H new ATOM 0 HG2 GLU B 13 18.494 12.875 29.518 1.00 38.07 H new ATOM 0 HG3 GLU B 13 19.668 12.135 28.805 1.00 38.07 H new ATOM 1452 N ALA B 14 18.359 11.210 32.583 1.00 36.61 N ATOM 1453 CA ALA B 14 17.762 11.870 33.719 1.00 35.00 C ATOM 1454 C ALA B 14 18.194 13.320 33.729 1.00 33.76 C ATOM 1455 O ALA B 14 19.366 13.630 33.509 1.00 33.18 O ATOM 1456 CB ALA B 14 18.141 11.183 34.995 1.00 34.75 C ATOM 0 H ALA B 14 19.179 10.975 32.689 1.00 36.61 H new ATOM 0 HA ALA B 14 16.796 11.827 33.647 1.00 35.00 H new ATOM 0 HB1 ALA B 14 17.730 11.642 35.744 1.00 34.75 H new ATOM 0 HB2 ALA B 14 17.833 10.263 34.971 1.00 34.75 H new ATOM 0 HB3 ALA B 14 19.106 11.198 35.097 1.00 34.75 H new ATOM 1457 N ILE B 15 17.224 14.203 33.948 1.00 32.17 N ATOM 1458 CA ILE B 15 17.494 15.606 33.986 1.00 31.37 C ATOM 1459 C ILE B 15 17.423 16.013 35.420 1.00 30.62 C ATOM 1460 O ILE B 15 16.568 15.565 36.130 1.00 31.25 O ATOM 1461 CB ILE B 15 16.481 16.371 33.159 1.00 31.55 C ATOM 1462 CG1 ILE B 15 16.365 15.775 31.746 1.00 30.94 C ATOM 1463 CG2 ILE B 15 16.873 17.843 33.096 1.00 31.87 C ATOM 1464 CD1 ILE B 15 17.610 15.832 30.942 1.00 30.42 C ATOM 0 H ILE B 15 16.400 13.993 34.076 1.00 32.17 H new ATOM 0 HA ILE B 15 18.367 15.803 33.611 1.00 31.37 H new ATOM 0 HB ILE B 15 15.612 16.296 33.583 1.00 31.55 H new ATOM 0 HG12 ILE B 15 16.086 14.849 31.821 1.00 30.94 H new ATOM 0 HG13 ILE B 15 15.664 16.245 31.267 1.00 30.94 H new ATOM 0 HG21 ILE B 15 16.222 18.329 32.566 1.00 31.87 H new ATOM 0 HG22 ILE B 15 16.897 18.210 33.993 1.00 31.87 H new ATOM 0 HG23 ILE B 15 17.749 17.928 32.689 1.00 31.87 H new ATOM 0 HD11 ILE B 15 17.451 15.438 30.070 1.00 30.42 H new ATOM 0 HD12 ILE B 15 17.883 16.756 30.833 1.00 30.42 H new ATOM 0 HD13 ILE B 15 18.311 15.339 31.396 1.00 30.42 H new ATOM 1465 N ALA B 16 18.359 16.839 35.852 1.00 30.11 N ATOM 1466 CA ALA B 16 18.415 17.303 37.228 1.00 29.29 C ATOM 1467 C ALA B 16 17.942 18.737 37.318 1.00 28.55 C ATOM 1468 O ALA B 16 18.432 19.609 36.592 1.00 28.26 O ATOM 1469 CB ALA B 16 19.826 17.208 37.741 1.00 29.48 C ATOM 0 H ALA B 16 18.986 17.150 35.352 1.00 30.11 H new ATOM 0 HA ALA B 16 17.835 16.744 37.768 1.00 29.29 H new ATOM 0 HB1 ALA B 16 19.858 17.519 38.659 1.00 29.48 H new ATOM 0 HB2 ALA B 16 20.123 16.286 37.702 1.00 29.48 H new ATOM 0 HB3 ALA B 16 20.407 17.758 37.193 1.00 29.48 H new ATOM 1470 N PHE B 17 16.983 18.960 38.215 1.00 27.63 N ATOM 1471 CA PHE B 17 16.431 20.278 38.467 1.00 27.28 C ATOM 1472 C PHE B 17 17.124 20.872 39.693 1.00 27.51 C ATOM 1473 O PHE B 17 17.185 20.208 40.735 1.00 27.43 O ATOM 1474 CB PHE B 17 14.910 20.189 38.682 1.00 26.97 C ATOM 1475 CG PHE B 17 14.149 19.746 37.461 1.00 25.12 C ATOM 1476 CD1 PHE B 17 13.426 20.647 36.715 1.00 23.24 C ATOM 1477 CD2 PHE B 17 14.179 18.429 37.051 1.00 24.72 C ATOM 1478 CE1 PHE B 17 12.741 20.253 35.587 1.00 22.31 C ATOM 1479 CE2 PHE B 17 13.500 18.033 35.923 1.00 24.36 C ATOM 1480 CZ PHE B 17 12.774 18.955 35.195 1.00 23.51 C ATOM 0 H PHE B 17 16.634 18.339 38.697 1.00 27.63 H new ATOM 0 HA PHE B 17 16.585 20.854 37.702 1.00 27.28 H new ATOM 0 HB2 PHE B 17 14.730 19.570 39.407 1.00 26.97 H new ATOM 0 HB3 PHE B 17 14.580 21.057 38.961 1.00 26.97 H new ATOM 0 HD1 PHE B 17 13.399 21.539 36.977 1.00 23.24 H new ATOM 0 HD2 PHE B 17 14.662 17.804 37.542 1.00 24.72 H new ATOM 0 HE1 PHE B 17 12.257 20.876 35.095 1.00 22.31 H new ATOM 0 HE2 PHE B 17 13.530 17.144 35.650 1.00 24.36 H new ATOM 0 HZ PHE B 17 12.308 18.686 34.436 1.00 23.51 H new ATOM 1481 N ASP B 18 17.636 22.105 39.558 1.00 27.34 N ATOM 1482 CA ASP B 18 18.356 22.783 40.638 1.00 27.63 C ATOM 1483 C ASP B 18 17.517 23.710 41.526 1.00 27.97 C ATOM 1484 O ASP B 18 17.993 24.175 42.558 1.00 27.74 O ATOM 1485 CB ASP B 18 19.524 23.594 40.065 1.00 27.86 C ATOM 1486 CG ASP B 18 19.071 24.778 39.216 1.00 27.69 C ATOM 1487 OD1 ASP B 18 19.945 25.509 38.676 1.00 28.97 O ATOM 1488 OD2 ASP B 18 17.871 25.035 39.003 1.00 25.69 O ATOM 0 H ASP B 18 17.573 22.568 38.836 1.00 27.34 H new ATOM 0 HA ASP B 18 18.655 22.060 41.212 1.00 27.63 H new ATOM 0 HB2 ASP B 18 20.074 23.918 40.795 1.00 27.86 H new ATOM 0 HB3 ASP B 18 20.082 23.011 39.526 1.00 27.86 H new ATOM 1489 N GLY B 19 16.280 23.997 41.129 1.00 28.41 N ATOM 1490 CA GLY B 19 15.417 24.884 41.903 1.00 28.36 C ATOM 1491 C GLY B 19 14.938 26.075 41.087 1.00 28.34 C ATOM 1492 O GLY B 19 13.879 26.656 41.341 1.00 28.27 O ATOM 0 H GLY B 19 15.921 23.687 40.412 1.00 28.41 H new ATOM 0 HA2 GLY B 19 14.650 24.386 42.226 1.00 28.36 H new ATOM 0 HA3 GLY B 19 15.898 25.201 42.683 1.00 28.36 H new ATOM 1493 N ARG B 20 15.740 26.449 40.099 1.00 28.39 N ATOM 1494 CA ARG B 20 15.403 27.538 39.205 1.00 28.73 C ATOM 1495 C ARG B 20 15.218 26.988 37.804 1.00 28.97 C ATOM 1496 O ARG B 20 15.290 27.726 36.830 1.00 29.55 O ATOM 1497 CB ARG B 20 16.517 28.572 39.176 1.00 28.67 C ATOM 1498 CG ARG B 20 17.235 28.785 40.500 1.00 29.11 C ATOM 1499 CD ARG B 20 18.305 29.841 40.413 1.00 29.27 C ATOM 1500 NE ARG B 20 19.289 29.499 39.391 1.00 29.71 N ATOM 1501 CZ ARG B 20 20.255 28.607 39.549 1.00 29.62 C ATOM 1502 NH1 ARG B 20 20.405 27.971 40.702 1.00 29.56 N ATOM 1503 NH2 ARG B 20 21.082 28.357 38.551 1.00 30.59 N ATOM 0 H ARG B 20 16.496 26.075 39.930 1.00 28.39 H new ATOM 0 HA ARG B 20 14.587 27.958 39.520 1.00 28.73 H new ATOM 0 HB2 ARG B 20 17.169 28.305 38.510 1.00 28.67 H new ATOM 0 HB3 ARG B 20 16.145 29.420 38.886 1.00 28.67 H new ATOM 0 HG2 ARG B 20 16.589 29.039 41.178 1.00 29.11 H new ATOM 0 HG3 ARG B 20 17.633 27.948 40.787 1.00 29.11 H new ATOM 0 HD2 ARG B 20 17.902 30.699 40.206 1.00 29.27 H new ATOM 0 HD3 ARG B 20 18.744 29.934 41.273 1.00 29.27 H new ATOM 0 HE ARG B 20 19.238 29.904 38.634 1.00 29.71 H new ATOM 0 HH11 ARG B 20 19.872 28.136 41.357 1.00 29.56 H new ATOM 0 HH12 ARG B 20 21.035 27.393 40.796 1.00 29.56 H new ATOM 0 HH21 ARG B 20 20.992 28.772 37.803 1.00 30.59 H new ATOM 0 HH22 ARG B 20 21.711 27.779 38.648 1.00 30.59 H new ATOM 1504 N THR B 21 14.981 25.684 37.712 1.00 29.16 N ATOM 1505 CA THR B 21 14.833 24.996 36.433 1.00 28.42 C ATOM 1506 C THR B 21 13.377 24.699 36.176 1.00 27.75 C ATOM 1507 O THR B 21 12.774 23.992 36.938 1.00 26.97 O ATOM 1508 CB THR B 21 15.613 23.660 36.457 1.00 28.51 C ATOM 1509 OG1 THR B 21 16.988 23.884 36.809 1.00 26.31 O ATOM 1510 CG2 THR B 21 15.606 23.007 35.059 1.00 28.31 C ATOM 0 H THR B 21 14.901 25.169 38.396 1.00 29.16 H new ATOM 0 HA THR B 21 15.183 25.568 35.732 1.00 28.42 H new ATOM 0 HB THR B 21 15.181 23.086 37.109 1.00 28.51 H new ATOM 0 HG1 THR B 21 17.031 24.193 37.589 1.00 26.31 H new ATOM 0 HG21 THR B 21 16.098 22.172 35.089 1.00 28.31 H new ATOM 0 HG22 THR B 21 14.691 22.833 34.787 1.00 28.31 H new ATOM 0 HG23 THR B 21 16.024 23.605 34.420 1.00 28.31 H new ATOM 1511 N TYR B 22 12.852 25.240 35.084 1.00 27.79 N ATOM 1512 CA TYR B 22 11.464 25.085 34.675 1.00 28.17 C ATOM 1513 C TYR B 22 11.489 24.759 33.222 1.00 27.89 C ATOM 1514 O TYR B 22 12.211 25.403 32.464 1.00 27.58 O ATOM 1515 CB TYR B 22 10.691 26.399 34.843 1.00 28.50 C ATOM 1516 CG TYR B 22 11.046 27.133 36.110 1.00 31.07 C ATOM 1517 CD1 TYR B 22 10.547 26.718 37.325 1.00 32.57 C ATOM 1518 CD2 TYR B 22 11.929 28.212 36.096 1.00 33.79 C ATOM 1519 CE1 TYR B 22 10.889 27.358 38.486 1.00 34.53 C ATOM 1520 CE2 TYR B 22 12.268 28.870 37.255 1.00 34.43 C ATOM 1521 CZ TYR B 22 11.742 28.439 38.447 1.00 35.05 C ATOM 1522 OH TYR B 22 12.067 29.078 39.615 1.00 37.12 O ATOM 0 H TYR B 22 13.311 25.725 34.542 1.00 27.79 H new ATOM 0 HA TYR B 22 11.035 24.401 35.213 1.00 28.17 H new ATOM 0 HB2 TYR B 22 10.870 26.973 34.082 1.00 28.50 H new ATOM 0 HB3 TYR B 22 9.739 26.211 34.840 1.00 28.50 H new ATOM 0 HD1 TYR B 22 9.968 25.991 37.357 1.00 32.57 H new ATOM 0 HD2 TYR B 22 12.295 28.492 35.288 1.00 33.79 H new ATOM 0 HE1 TYR B 22 10.546 27.064 39.299 1.00 34.53 H new ATOM 0 HE2 TYR B 22 12.846 29.598 37.231 1.00 34.43 H new ATOM 0 HH TYR B 22 12.591 29.714 39.450 1.00 37.12 H new ATOM 1523 N MET B 23 10.692 23.781 32.812 1.00 27.90 N ATOM 1524 CA MET B 23 10.723 23.377 31.418 1.00 28.20 C ATOM 1525 C MET B 23 9.352 23.347 30.776 1.00 28.06 C ATOM 1526 O MET B 23 8.445 22.694 31.266 1.00 28.10 O ATOM 1527 CB MET B 23 11.496 22.062 31.275 1.00 28.47 C ATOM 1528 CG MET B 23 12.994 22.252 31.639 1.00 28.42 C ATOM 1529 SD MET B 23 13.964 20.759 31.710 1.00 29.57 S ATOM 1530 CE MET B 23 14.788 20.816 30.185 1.00 29.37 C ATOM 0 H MET B 23 10.140 23.349 33.311 1.00 27.90 H new ATOM 0 HA MET B 23 11.201 24.056 30.917 1.00 28.20 H new ATOM 0 HB2 MET B 23 11.103 21.388 31.851 1.00 28.47 H new ATOM 0 HB3 MET B 23 11.420 21.736 30.365 1.00 28.47 H new ATOM 0 HG2 MET B 23 13.395 22.849 30.988 1.00 28.42 H new ATOM 0 HG3 MET B 23 13.047 22.695 32.500 1.00 28.42 H new ATOM 0 HE1 MET B 23 15.171 19.946 29.991 1.00 29.37 H new ATOM 0 HE2 MET B 23 14.159 21.055 29.486 1.00 29.37 H new ATOM 0 HE3 MET B 23 15.495 21.479 30.224 1.00 29.37 H new ATOM 1531 N GLU B 24 9.233 24.056 29.658 1.00 28.11 N ATOM 1532 CA GLU B 24 7.966 24.217 28.969 1.00 28.69 C ATOM 1533 C GLU B 24 7.768 23.331 27.751 1.00 29.26 C ATOM 1534 O GLU B 24 8.601 23.321 26.853 1.00 28.63 O ATOM 1535 CB GLU B 24 7.825 25.676 28.557 1.00 28.73 C ATOM 1536 CG GLU B 24 6.735 25.976 27.553 1.00 28.11 C ATOM 1537 CD GLU B 24 6.559 27.462 27.366 1.00 28.28 C ATOM 1538 OE1 GLU B 24 7.516 28.131 26.878 1.00 27.86 O ATOM 1539 OE2 GLU B 24 5.460 27.958 27.715 1.00 31.07 O ATOM 0 H GLU B 24 9.891 24.458 29.278 1.00 28.11 H new ATOM 0 HA GLU B 24 7.282 23.939 29.598 1.00 28.69 H new ATOM 0 HB2 GLU B 24 7.662 26.205 29.354 1.00 28.73 H new ATOM 0 HB3 GLU B 24 8.671 25.973 28.188 1.00 28.73 H new ATOM 0 HG2 GLU B 24 6.953 25.564 26.702 1.00 28.11 H new ATOM 0 HG3 GLU B 24 5.900 25.584 27.852 1.00 28.11 H new ATOM 1540 N TYR B 25 6.626 22.634 27.729 1.00 30.48 N ATOM 1541 CA TYR B 25 6.228 21.737 26.636 1.00 31.17 C ATOM 1542 C TYR B 25 4.867 22.142 26.037 1.00 32.92 C ATOM 1543 O TYR B 25 4.085 22.838 26.669 1.00 31.95 O ATOM 1544 CB TYR B 25 6.224 20.303 27.149 1.00 30.78 C ATOM 1545 CG TYR B 25 7.582 19.899 27.693 1.00 28.17 C ATOM 1546 CD1 TYR B 25 8.564 19.452 26.857 1.00 26.79 C ATOM 1547 CD2 TYR B 25 7.875 19.984 29.034 1.00 26.68 C ATOM 1548 CE1 TYR B 25 9.809 19.093 27.329 1.00 26.29 C ATOM 1549 CE2 TYR B 25 9.112 19.622 29.522 1.00 25.97 C ATOM 1550 CZ TYR B 25 10.079 19.171 28.663 1.00 25.45 C ATOM 1551 OH TYR B 25 11.328 18.819 29.120 1.00 21.04 O ATOM 0 H TYR B 25 6.048 22.671 28.365 1.00 30.48 H new ATOM 0 HA TYR B 25 6.870 21.808 25.913 1.00 31.17 H new ATOM 0 HB2 TYR B 25 5.555 20.210 27.845 1.00 30.78 H new ATOM 0 HB3 TYR B 25 5.971 19.702 26.430 1.00 30.78 H new ATOM 0 HD1 TYR B 25 8.389 19.388 25.946 1.00 26.79 H new ATOM 0 HD2 TYR B 25 7.225 20.292 29.624 1.00 26.68 H new ATOM 0 HE1 TYR B 25 10.464 18.798 26.738 1.00 26.29 H new ATOM 0 HE2 TYR B 25 9.290 19.684 30.433 1.00 25.97 H new ATOM 0 HH TYR B 25 11.911 19.089 28.579 1.00 21.04 H new ATOM 1552 N HIS B 26 4.619 21.729 24.798 1.00 35.89 N ATOM 1553 CA HIS B 26 3.406 22.113 24.062 1.00 38.35 C ATOM 1554 C HIS B 26 2.294 21.081 23.887 1.00 40.76 C ATOM 1555 O HIS B 26 1.174 21.465 23.540 1.00 41.42 O ATOM 1556 CB HIS B 26 3.776 22.589 22.668 1.00 38.48 C ATOM 1557 CG HIS B 26 4.630 21.628 21.896 1.00 39.36 C ATOM 1558 ND1 HIS B 26 5.977 21.462 22.145 1.00 39.20 N ATOM 1559 CD2 HIS B 26 4.337 20.814 20.854 1.00 39.83 C ATOM 1560 CE1 HIS B 26 6.471 20.573 21.302 1.00 39.75 C ATOM 1561 NE2 HIS B 26 5.499 20.166 20.506 1.00 40.04 N ATOM 0 H HIS B 26 5.148 21.216 24.355 1.00 35.89 H new ATOM 0 HA HIS B 26 3.034 22.795 24.643 1.00 38.35 H new ATOM 0 HB2 HIS B 26 2.962 22.756 22.168 1.00 38.48 H new ATOM 0 HB3 HIS B 26 4.244 23.436 22.740 1.00 38.48 H new ATOM 0 HD2 HIS B 26 3.506 20.712 20.450 1.00 39.83 H new ATOM 0 HE1 HIS B 26 7.354 20.283 21.274 1.00 39.75 H new ATOM 0 HE2 HIS B 26 5.580 19.589 19.873 1.00 40.04 H new ATOM 1562 N ASN B 27 2.586 19.797 24.089 1.00 43.46 N ATOM 1563 CA ASN B 27 1.592 18.697 23.960 1.00 45.58 C ATOM 1564 C ASN B 27 0.257 19.010 23.237 1.00 47.38 C ATOM 1565 O ASN B 27 -0.668 19.485 23.861 1.00 47.08 O ATOM 1566 CB ASN B 27 1.271 18.117 25.345 1.00 45.68 C ATOM 1567 CG ASN B 27 2.494 17.514 26.028 1.00 46.45 C ATOM 1568 OD1 ASN B 27 3.678 17.892 25.564 1.00 47.86 O flip ATOM 1569 ND2 ASN B 27 2.373 16.714 26.963 1.00 46.81 N flip ATOM 0 H ASN B 27 3.372 19.525 24.308 1.00 43.46 H new ATOM 0 HA ASN B 27 2.042 18.067 23.376 1.00 45.58 H new ATOM 0 HB2 ASN B 27 0.903 18.817 25.907 1.00 45.68 H new ATOM 0 HB3 ASN B 27 0.586 17.436 25.256 1.00 45.68 H new ATOM 0 HD21 ASN B 27 1.590 16.490 27.239 1.00 46.81 H new ATOM 0 HD22 ASN B 27 3.072 16.381 27.337 1.00 46.81 H new ATOM 1570 N ALA B 28 0.177 18.689 21.942 1.00 50.12 N ATOM 1571 CA ALA B 28 -1.006 18.898 21.080 1.00 52.44 C ATOM 1572 C ALA B 28 -0.925 20.141 20.177 1.00 54.60 C ATOM 1573 O ALA B 28 -1.208 21.253 20.609 1.00 54.76 O ATOM 1574 CB ALA B 28 -2.298 18.916 21.884 1.00 52.74 C ATOM 0 H ALA B 28 0.834 18.329 21.520 1.00 50.12 H new ATOM 0 HA ALA B 28 -1.010 18.131 20.487 1.00 52.44 H new ATOM 0 HB1 ALA B 28 -3.049 19.055 21.286 1.00 52.74 H new ATOM 0 HB2 ALA B 28 -2.404 18.069 22.345 1.00 52.74 H new ATOM 0 HB3 ALA B 28 -2.265 19.635 22.534 1.00 52.74 H new ATOM 1575 N VAL B 29 -0.554 19.903 18.917 1.00 57.24 N ATOM 1576 CA VAL B 29 -0.395 20.908 17.851 1.00 59.16 C ATOM 1577 C VAL B 29 0.567 20.290 16.848 1.00 61.01 C ATOM 1578 O VAL B 29 1.622 19.805 17.237 1.00 60.96 O ATOM 1579 CB VAL B 29 0.200 22.272 18.318 1.00 59.31 C ATOM 1580 CG1 VAL B 29 1.132 22.856 17.246 1.00 59.11 C ATOM 1581 CG2 VAL B 29 -0.898 23.280 18.663 1.00 58.78 C ATOM 0 H VAL B 29 -0.378 19.107 18.642 1.00 57.24 H new ATOM 0 HA VAL B 29 -1.274 21.115 17.498 1.00 59.16 H new ATOM 0 HB VAL B 29 0.713 22.100 19.123 1.00 59.31 H new ATOM 0 HG11 VAL B 29 1.491 23.702 17.555 1.00 59.11 H new ATOM 0 HG12 VAL B 29 1.861 22.238 17.079 1.00 59.11 H new ATOM 0 HG13 VAL B 29 0.634 22.997 16.426 1.00 59.11 H new ATOM 0 HG21 VAL B 29 -0.494 24.114 18.949 1.00 58.78 H new ATOM 0 HG22 VAL B 29 -1.449 23.439 17.881 1.00 58.78 H new ATOM 0 HG23 VAL B 29 -1.449 22.926 19.379 1.00 58.78 H new ATOM 1582 N THR B 30 0.189 20.284 15.573 1.00 63.61 N ATOM 1583 CA THR B 30 1.032 19.739 14.509 1.00 65.83 C ATOM 1584 C THR B 30 2.524 20.007 14.767 1.00 67.76 C ATOM 1585 O THR B 30 2.904 21.084 15.234 1.00 67.96 O ATOM 1586 CB THR B 30 0.642 20.356 13.137 1.00 66.05 C ATOM 1587 OG1 THR B 30 -0.781 20.272 12.917 1.00 65.62 O ATOM 1588 CG2 THR B 30 1.294 19.569 11.978 1.00 66.16 C ATOM 0 H THR B 30 -0.564 20.596 15.299 1.00 63.61 H new ATOM 0 HA THR B 30 0.887 18.780 14.496 1.00 65.83 H new ATOM 0 HB THR B 30 0.942 21.278 13.156 1.00 66.05 H new ATOM 0 HG1 THR B 30 -0.970 20.612 12.172 1.00 65.62 H new ATOM 0 HG21 THR B 30 1.039 19.969 11.132 1.00 66.16 H new ATOM 0 HG22 THR B 30 2.259 19.597 12.071 1.00 66.16 H new ATOM 0 HG23 THR B 30 0.993 18.647 12.003 1.00 66.16 H new ATOM 1589 N LYS B 31 3.373 19.034 14.447 1.00 69.96 N ATOM 1590 CA LYS B 31 4.794 19.186 14.714 1.00 71.68 C ATOM 1591 C LYS B 31 5.703 18.328 13.819 1.00 72.47 C ATOM 1592 O LYS B 31 6.817 18.741 13.483 1.00 72.36 O ATOM 1593 CB LYS B 31 5.071 18.883 16.194 1.00 72.10 C ATOM 1594 CG LYS B 31 6.543 19.041 16.588 1.00 75.28 C ATOM 1595 CD LYS B 31 7.038 20.479 16.331 1.00 78.58 C ATOM 1596 CE LYS B 31 8.535 20.622 16.516 1.00 80.10 C ATOM 1597 NZ LYS B 31 8.975 22.032 16.224 1.00 82.06 N ATOM 0 H LYS B 31 3.148 18.289 14.080 1.00 69.96 H new ATOM 0 HA LYS B 31 5.014 20.107 14.502 1.00 71.68 H new ATOM 0 HB2 LYS B 31 4.532 19.473 16.743 1.00 72.10 H new ATOM 0 HB3 LYS B 31 4.787 17.976 16.389 1.00 72.10 H new ATOM 0 HG2 LYS B 31 6.655 18.821 17.526 1.00 75.28 H new ATOM 0 HG3 LYS B 31 7.085 18.415 16.083 1.00 75.28 H new ATOM 0 HD2 LYS B 31 6.801 20.743 15.428 1.00 78.58 H new ATOM 0 HD3 LYS B 31 6.582 21.087 16.933 1.00 78.58 H new ATOM 0 HE2 LYS B 31 8.777 20.384 17.425 1.00 80.10 H new ATOM 0 HE3 LYS B 31 8.999 20.005 15.928 1.00 80.10 H new ATOM 0 HZ1 LYS B 31 9.855 22.098 16.337 1.00 82.06 H new ATOM 0 HZ2 LYS B 31 8.768 22.240 15.384 1.00 82.06 H new ATOM 0 HZ3 LYS B 31 8.562 22.593 16.778 1.00 82.06 H new ATOM 1598 N SER B 32 5.238 17.137 13.446 1.00 73.73 N ATOM 1599 CA SER B 32 6.024 16.234 12.600 1.00 74.43 C ATOM 1600 C SER B 32 5.367 14.875 12.431 1.00 75.17 C ATOM 1601 O SER B 32 5.331 14.338 11.327 1.00 75.03 O ATOM 1602 CB SER B 32 7.392 15.998 13.222 1.00 74.46 C ATOM 1603 OG SER B 32 7.253 15.378 14.489 1.00 74.29 O ATOM 0 H SER B 32 4.467 16.830 13.672 1.00 73.73 H new ATOM 0 HA SER B 32 6.093 16.664 11.733 1.00 74.43 H new ATOM 0 HB2 SER B 32 7.928 15.439 12.638 1.00 74.46 H new ATOM 0 HB3 SER B 32 7.861 16.842 13.317 1.00 74.46 H new ATOM 0 HG SER B 32 8.013 15.250 14.824 1.00 74.29 H new ATOM 1604 N HIS B 33 4.868 14.324 13.537 1.00 76.24 N ATOM 1605 CA HIS B 33 4.283 12.987 13.549 1.00 77.25 C ATOM 1606 C HIS B 33 2.932 12.906 14.263 1.00 77.18 C ATOM 1607 O HIS B 33 2.074 13.782 14.123 1.00 77.34 O ATOM 1608 CB HIS B 33 5.258 12.041 14.255 1.00 77.91 C ATOM 1609 CG HIS B 33 5.411 10.719 13.574 1.00 80.76 C ATOM 1610 ND1 HIS B 33 6.340 9.741 13.718 1.00 82.93 N flip ATOM 1611 CD2 HIS B 33 4.532 10.281 12.604 1.00 82.83 C flip ATOM 1612 CE1 HIS B 33 6.001 8.734 12.844 1.00 83.65 C flip ATOM 1613 NE2 HIS B 33 4.907 9.084 12.188 1.00 84.19 N flip ATOM 0 H HIS B 33 4.860 14.717 14.302 1.00 76.24 H new ATOM 0 HA HIS B 33 4.127 12.740 12.624 1.00 77.25 H new ATOM 0 HB2 HIS B 33 6.127 12.469 14.313 1.00 77.91 H new ATOM 0 HB3 HIS B 33 4.953 11.894 15.164 1.00 77.91 H new ATOM 0 HD2 HIS B 33 3.794 10.753 12.293 1.00 82.83 H new ATOM 0 HE1 HIS B 33 6.466 7.936 12.732 1.00 83.65 H new ATOM 0 HE2 HIS B 33 4.507 8.612 11.591 1.00 84.19 H new ATOM 1614 N LEU B 34 2.766 11.826 15.025 1.00 77.08 N ATOM 1615 CA LEU B 34 1.564 11.555 15.787 1.00 77.09 C ATOM 1616 C LEU B 34 1.911 11.112 17.216 1.00 77.02 C ATOM 1617 O LEU B 34 2.855 10.352 17.445 1.00 76.95 O ATOM 1618 CB LEU B 34 0.770 10.458 15.097 1.00 77.09 C ATOM 1619 CG LEU B 34 0.609 10.650 13.593 1.00 77.32 C ATOM 1620 CD1 LEU B 34 0.222 9.321 12.951 1.00 77.81 C ATOM 1621 CD2 LEU B 34 -0.407 11.741 13.319 1.00 77.49 C ATOM 0 H LEU B 34 3.369 11.219 15.111 1.00 77.08 H new ATOM 0 HA LEU B 34 1.037 12.368 15.836 1.00 77.09 H new ATOM 0 HB2 LEU B 34 1.206 9.607 15.259 1.00 77.09 H new ATOM 0 HB3 LEU B 34 -0.110 10.407 15.502 1.00 77.09 H new ATOM 0 HG LEU B 34 1.448 10.934 13.198 1.00 77.32 H new ATOM 0 HD11 LEU B 34 0.119 9.441 11.994 1.00 77.81 H new ATOM 0 HD12 LEU B 34 0.916 8.665 13.121 1.00 77.81 H new ATOM 0 HD13 LEU B 34 -0.616 9.010 13.329 1.00 77.81 H new ATOM 0 HD21 LEU B 34 -0.505 11.859 12.361 1.00 77.49 H new ATOM 0 HD22 LEU B 34 -1.262 11.491 13.703 1.00 77.49 H new ATOM 0 HD23 LEU B 34 -0.105 12.572 13.717 1.00 77.49 H new ATOM 1622 N PRO B 39 -8.276 24.419 16.287 1.00 73.80 N ATOM 1623 CA PRO B 39 -8.269 24.039 17.699 1.00 73.77 C ATOM 1624 C PRO B 39 -7.348 24.948 18.503 1.00 73.50 C ATOM 1625 O PRO B 39 -6.137 24.689 18.638 1.00 73.89 O ATOM 1626 CB PRO B 39 -7.827 22.584 17.889 1.00 73.89 C ATOM 1627 CG PRO B 39 -6.491 22.405 17.456 1.00 73.85 C ATOM 0 HA PRO B 39 -9.179 24.134 18.021 1.00 73.77 H new ATOM 0 HB2 PRO B 39 -7.904 22.337 18.824 1.00 73.89 H new ATOM 0 HB3 PRO B 39 -8.415 21.995 17.391 1.00 73.89 H new ATOM 1628 N ALA B 40 -7.941 26.008 19.036 1.00 72.68 N ATOM 1629 CA ALA B 40 -7.224 26.968 19.847 1.00 72.02 C ATOM 1630 C ALA B 40 -7.162 26.438 21.301 1.00 70.99 C ATOM 1631 O ALA B 40 -6.158 25.843 21.749 1.00 70.59 O ATOM 1632 CB ALA B 40 -7.947 28.324 19.789 1.00 72.16 C ATOM 0 H ALA B 40 -8.776 26.188 18.934 1.00 72.68 H new ATOM 0 HA ALA B 40 -6.321 27.089 19.515 1.00 72.02 H new ATOM 0 HB1 ALA B 40 -7.468 28.970 20.332 1.00 72.16 H new ATOM 0 HB2 ALA B 40 -7.979 28.635 18.871 1.00 72.16 H new ATOM 0 HB3 ALA B 40 -8.850 28.224 20.128 1.00 72.16 H new ATOM 1633 N GLU B 41 -8.243 26.705 22.027 1.00 69.53 N ATOM 1634 CA GLU B 41 -8.410 26.233 23.381 1.00 68.40 C ATOM 1635 C GLU B 41 -9.221 24.949 23.199 1.00 66.77 C ATOM 1636 O GLU B 41 -10.244 24.965 22.530 1.00 66.37 O ATOM 1637 CB GLU B 41 -9.177 27.259 24.219 1.00 68.65 C ATOM 1638 CG GLU B 41 -9.071 27.043 25.732 1.00 69.94 C ATOM 1639 CD GLU B 41 -10.199 27.701 26.529 1.00 71.18 C ATOM 1640 OE1 GLU B 41 -11.329 27.160 26.571 1.00 72.65 O ATOM 1641 OE2 GLU B 41 -9.960 28.758 27.136 1.00 73.22 O ATOM 0 H GLU B 41 -8.904 27.172 21.737 1.00 69.53 H new ATOM 0 HA GLU B 41 -7.572 26.089 23.847 1.00 68.40 H new ATOM 0 HB2 GLU B 41 -8.848 28.146 24.006 1.00 68.65 H new ATOM 0 HB3 GLU B 41 -10.113 27.235 23.964 1.00 68.65 H new ATOM 0 HG2 GLU B 41 -9.070 26.090 25.915 1.00 69.94 H new ATOM 0 HG3 GLU B 41 -8.221 27.393 26.042 1.00 69.94 H new ATOM 1642 N LYS B 42 -8.741 23.834 23.726 1.00 64.89 N ATOM 1643 CA LYS B 42 -9.473 22.596 23.588 1.00 63.82 C ATOM 1644 C LYS B 42 -9.928 22.095 24.946 1.00 62.11 C ATOM 1645 O LYS B 42 -9.396 22.494 25.989 1.00 62.48 O ATOM 1646 CB LYS B 42 -8.633 21.534 22.898 1.00 64.37 C ATOM 1647 CG LYS B 42 -9.457 20.298 22.487 1.00 66.70 C ATOM 1648 CD LYS B 42 -8.639 19.266 21.730 1.00 68.68 C ATOM 1649 CE LYS B 42 -9.484 18.051 21.366 1.00 69.90 C ATOM 1650 NZ LYS B 42 -8.665 16.975 20.718 1.00 71.03 N ATOM 0 H LYS B 42 -8.002 23.776 24.162 1.00 64.89 H new ATOM 0 HA LYS B 42 -10.252 22.773 23.038 1.00 63.82 H new ATOM 0 HB2 LYS B 42 -8.217 21.917 22.110 1.00 64.37 H new ATOM 0 HB3 LYS B 42 -7.917 21.258 23.491 1.00 64.37 H new ATOM 0 HG2 LYS B 42 -9.832 19.887 23.281 1.00 66.70 H new ATOM 0 HG3 LYS B 42 -10.202 20.581 21.935 1.00 66.70 H new ATOM 0 HD2 LYS B 42 -8.277 19.665 20.923 1.00 68.68 H new ATOM 0 HD3 LYS B 42 -7.884 18.987 22.272 1.00 68.68 H new ATOM 0 HE2 LYS B 42 -9.905 17.699 22.166 1.00 69.90 H new ATOM 0 HE3 LYS B 42 -10.196 18.321 20.765 1.00 69.90 H new ATOM 0 HZ1 LYS B 42 -9.188 16.283 20.519 1.00 71.03 H new ATOM 0 HZ2 LYS B 42 -8.296 17.291 19.972 1.00 71.03 H new ATOM 0 HZ3 LYS B 42 -8.025 16.712 21.277 1.00 71.03 H new ATOM 1651 N ALA B 43 -10.944 21.239 24.927 1.00 59.70 N ATOM 1652 CA ALA B 43 -11.505 20.669 26.148 1.00 57.50 C ATOM 1653 C ALA B 43 -11.074 19.215 26.269 1.00 55.20 C ATOM 1654 O ALA B 43 -11.571 18.362 25.543 1.00 55.31 O ATOM 1655 CB ALA B 43 -12.989 20.759 26.106 1.00 57.39 C ATOM 0 H ALA B 43 -11.328 20.972 24.206 1.00 59.70 H new ATOM 0 HA ALA B 43 -11.182 21.163 26.917 1.00 57.50 H new ATOM 0 HB1 ALA B 43 -13.360 20.380 26.918 1.00 57.39 H new ATOM 0 HB2 ALA B 43 -13.255 21.689 26.033 1.00 57.39 H new ATOM 0 HB3 ALA B 43 -13.322 20.267 25.339 1.00 57.39 H new ATOM 1656 N LEU B 44 -10.136 18.946 27.170 1.00 51.98 N ATOM 1657 CA LEU B 44 -9.649 17.596 27.377 1.00 49.24 C ATOM 1658 C LEU B 44 -10.610 16.813 28.248 1.00 46.23 C ATOM 1659 O LEU B 44 -11.009 17.249 29.328 1.00 46.18 O ATOM 1660 CB LEU B 44 -8.262 17.582 28.014 1.00 49.97 C ATOM 1661 CG LEU B 44 -7.187 18.311 27.211 1.00 51.41 C ATOM 1662 CD1 LEU B 44 -5.815 17.944 27.763 1.00 52.77 C ATOM 1663 CD2 LEU B 44 -7.288 17.974 25.738 1.00 51.95 C ATOM 0 H LEU B 44 -9.768 19.538 27.673 1.00 51.98 H new ATOM 0 HA LEU B 44 -9.586 17.179 26.503 1.00 49.24 H new ATOM 0 HB2 LEU B 44 -8.319 17.984 28.895 1.00 49.97 H new ATOM 0 HB3 LEU B 44 -7.986 16.661 28.140 1.00 49.97 H new ATOM 0 HG LEU B 44 -7.319 19.268 27.297 1.00 51.41 H new ATOM 0 HD11 LEU B 44 -5.128 18.405 27.256 1.00 52.77 H new ATOM 0 HD12 LEU B 44 -5.760 18.207 28.695 1.00 52.77 H new ATOM 0 HD13 LEU B 44 -5.682 16.986 27.690 1.00 52.77 H new ATOM 0 HD21 LEU B 44 -6.597 18.448 25.249 1.00 51.95 H new ATOM 0 HD22 LEU B 44 -7.173 17.019 25.616 1.00 51.95 H new ATOM 0 HD23 LEU B 44 -8.159 18.240 25.404 1.00 51.95 H new ATOM 1664 N GLN B 45 -10.961 15.635 27.764 1.00 41.91 N ATOM 1665 CA GLN B 45 -11.865 14.768 28.457 1.00 38.47 C ATOM 1666 C GLN B 45 -11.121 13.947 29.486 1.00 35.31 C ATOM 1667 O GLN B 45 -11.726 13.277 30.294 1.00 34.94 O ATOM 1668 CB GLN B 45 -12.531 13.856 27.443 1.00 38.70 C ATOM 1669 CG GLN B 45 -13.733 14.466 26.774 1.00 38.29 C ATOM 1670 CD GLN B 45 -14.940 14.276 27.615 1.00 38.22 C ATOM 1671 OE1 GLN B 45 -15.248 13.143 27.971 1.00 36.89 O ATOM 1672 NE2 GLN B 45 -15.621 15.375 27.978 1.00 39.64 N ATOM 0 H GLN B 45 -10.674 15.321 27.017 1.00 41.91 H new ATOM 0 HA GLN B 45 -12.536 15.295 28.919 1.00 38.47 H new ATOM 0 HB2 GLN B 45 -11.882 13.613 26.764 1.00 38.70 H new ATOM 0 HB3 GLN B 45 -12.799 13.036 27.886 1.00 38.70 H new ATOM 0 HG2 GLN B 45 -13.582 15.412 26.623 1.00 38.29 H new ATOM 0 HG3 GLN B 45 -13.869 14.058 25.905 1.00 38.29 H new ATOM 0 HE21 GLN B 45 -15.366 16.149 27.703 1.00 39.64 H new ATOM 0 HE22 GLN B 45 -16.312 15.305 28.486 1.00 39.64 H new ATOM 1673 N SER B 46 -9.798 13.992 29.462 1.00 31.85 N ATOM 1674 CA SER B 46 -9.013 13.215 30.417 1.00 28.91 C ATOM 1675 C SER B 46 -7.533 13.618 30.401 1.00 25.80 C ATOM 1676 O SER B 46 -7.129 14.478 29.642 1.00 24.75 O ATOM 1677 CB SER B 46 -9.160 11.725 30.108 1.00 28.72 C ATOM 1678 OG SER B 46 -8.727 11.476 28.787 1.00 28.19 O ATOM 0 H SER B 46 -9.336 14.460 28.908 1.00 31.85 H new ATOM 0 HA SER B 46 -9.353 13.400 31.307 1.00 28.91 H new ATOM 0 HB2 SER B 46 -8.637 11.201 30.735 1.00 28.72 H new ATOM 0 HB3 SER B 46 -10.085 11.452 30.213 1.00 28.72 H new ATOM 0 HG SER B 46 -8.806 10.657 28.616 1.00 28.19 H new ATOM 1679 N ASN B 47 -6.759 12.981 31.271 1.00 22.77 N ATOM 1680 CA ASN B 47 -5.358 13.220 31.421 1.00 20.55 C ATOM 1681 C ASN B 47 -4.711 11.992 32.000 1.00 19.79 C ATOM 1682 O ASN B 47 -5.268 11.336 32.791 1.00 18.71 O ATOM 1683 CB ASN B 47 -5.110 14.393 32.380 1.00 20.17 C ATOM 1684 CG ASN B 47 -5.370 15.738 31.756 1.00 17.44 C ATOM 1685 OD1 ASN B 47 -6.446 16.340 32.165 1.00 13.90 O flip ATOM 1686 ND2 ASN B 47 -4.610 16.235 30.922 1.00 14.64 N flip ATOM 0 H ASN B 47 -7.059 12.377 31.805 1.00 22.77 H new ATOM 0 HA ASN B 47 -4.984 13.431 30.551 1.00 20.55 H new ATOM 0 HB2 ASN B 47 -5.677 14.290 33.160 1.00 20.17 H new ATOM 0 HB3 ASN B 47 -4.192 14.360 32.691 1.00 20.17 H new ATOM 0 HD21 ASN B 47 -3.906 15.808 30.674 1.00 14.64 H new ATOM 0 HD22 ASN B 47 -4.784 17.008 30.589 1.00 14.64 H new ATOM 1687 N HIS B 48 -3.496 11.694 31.592 1.00 20.74 N ATOM 1688 CA HIS B 48 -2.740 10.564 32.117 1.00 20.95 C ATOM 1689 C HIS B 48 -1.291 10.988 32.190 1.00 20.22 C ATOM 1690 O HIS B 48 -0.718 11.325 31.172 1.00 19.99 O ATOM 1691 CB HIS B 48 -2.868 9.351 31.194 1.00 21.18 C ATOM 1692 CG HIS B 48 -4.176 8.637 31.329 1.00 23.77 C ATOM 1693 ND1 HIS B 48 -5.390 9.293 31.288 1.00 26.04 N ATOM 1694 CD2 HIS B 48 -4.462 7.326 31.522 1.00 25.52 C ATOM 1695 CE1 HIS B 48 -6.366 8.413 31.441 1.00 27.29 C ATOM 1696 NE2 HIS B 48 -5.829 7.212 31.579 1.00 26.59 N ATOM 0 H HIS B 48 -3.075 12.145 30.993 1.00 20.74 H new ATOM 0 HA HIS B 48 -3.080 10.313 32.990 1.00 20.95 H new ATOM 0 HB2 HIS B 48 -2.758 9.640 30.274 1.00 21.18 H new ATOM 0 HB3 HIS B 48 -2.147 8.730 31.385 1.00 21.18 H new ATOM 0 HD2 HIS B 48 -3.847 6.633 31.601 1.00 25.52 H new ATOM 0 HE1 HIS B 48 -7.276 8.606 31.450 1.00 27.29 H new ATOM 0 HE2 HIS B 48 -6.265 6.479 31.687 1.00 26.59 H new ATOM 1697 N PHE B 49 -0.724 10.993 33.394 1.00 19.68 N ATOM 1698 CA PHE B 49 0.664 11.346 33.605 1.00 19.32 C ATOM 1699 C PHE B 49 1.413 10.170 34.207 1.00 19.56 C ATOM 1700 O PHE B 49 0.868 9.440 35.021 1.00 19.35 O ATOM 1701 CB PHE B 49 0.802 12.503 34.587 1.00 19.16 C ATOM 1702 CG PHE B 49 0.013 13.708 34.244 1.00 18.58 C ATOM 1703 CD1 PHE B 49 0.398 14.536 33.233 1.00 19.38 C ATOM 1704 CD2 PHE B 49 -1.090 14.056 34.994 1.00 19.75 C ATOM 1705 CE1 PHE B 49 -0.330 15.674 32.947 1.00 19.88 C ATOM 1706 CE2 PHE B 49 -1.814 15.181 34.714 1.00 18.85 C ATOM 1707 CZ PHE B 49 -1.441 15.987 33.694 1.00 19.62 C ATOM 0 H PHE B 49 -1.145 10.788 34.116 1.00 19.68 H new ATOM 0 HA PHE B 49 1.026 11.596 32.741 1.00 19.32 H new ATOM 0 HB2 PHE B 49 0.534 12.197 35.468 1.00 19.16 H new ATOM 0 HB3 PHE B 49 1.738 12.751 34.645 1.00 19.16 H new ATOM 0 HD1 PHE B 49 1.155 14.334 32.733 1.00 19.38 H new ATOM 0 HD2 PHE B 49 -1.347 13.514 35.705 1.00 19.75 H new ATOM 0 HE1 PHE B 49 -0.069 16.229 32.248 1.00 19.88 H new ATOM 0 HE2 PHE B 49 -2.562 15.392 35.224 1.00 18.85 H new ATOM 0 HZ PHE B 49 -1.935 16.751 33.498 1.00 19.62 H new ATOM 1708 N GLU B 50 2.683 10.022 33.835 1.00 20.39 N ATOM 1709 CA GLU B 50 3.560 8.978 34.368 1.00 20.85 C ATOM 1710 C GLU B 50 4.970 9.484 34.379 1.00 20.99 C ATOM 1711 O GLU B 50 5.441 10.000 33.381 1.00 20.96 O ATOM 1712 CB GLU B 50 3.509 7.730 33.524 1.00 20.85 C ATOM 1713 CG GLU B 50 2.376 6.828 33.923 1.00 22.51 C ATOM 1714 CD GLU B 50 2.690 5.393 33.667 1.00 24.73 C ATOM 1715 OE1 GLU B 50 3.322 4.752 34.538 1.00 25.24 O ATOM 1716 OE2 GLU B 50 2.295 4.925 32.580 1.00 28.74 O ATOM 0 H GLU B 50 3.066 10.532 33.258 1.00 20.39 H new ATOM 0 HA GLU B 50 3.259 8.760 35.264 1.00 20.85 H new ATOM 0 HB2 GLU B 50 3.413 7.975 32.590 1.00 20.85 H new ATOM 0 HB3 GLU B 50 4.348 7.250 33.606 1.00 20.85 H new ATOM 0 HG2 GLU B 50 2.180 6.953 34.865 1.00 22.51 H new ATOM 0 HG3 GLU B 50 1.577 7.076 33.432 1.00 22.51 H new ATOM 1717 N LEU B 51 5.635 9.350 35.516 1.00 21.34 N ATOM 1718 CA LEU B 51 6.999 9.815 35.644 1.00 21.50 C ATOM 1719 C LEU B 51 7.702 9.194 36.827 1.00 21.85 C ATOM 1720 O LEU B 51 7.092 8.503 37.646 1.00 21.48 O ATOM 1721 CB LEU B 51 7.024 11.332 35.813 1.00 21.67 C ATOM 1722 CG LEU B 51 6.282 11.927 37.002 1.00 20.69 C ATOM 1723 CD1 LEU B 51 6.960 13.160 37.484 1.00 19.77 C ATOM 1724 CD2 LEU B 51 4.882 12.255 36.571 1.00 21.72 C ATOM 0 H LEU B 51 5.310 8.991 36.227 1.00 21.34 H new ATOM 0 HA LEU B 51 7.463 9.552 34.833 1.00 21.50 H new ATOM 0 HB2 LEU B 51 7.951 11.610 35.871 1.00 21.67 H new ATOM 0 HB3 LEU B 51 6.659 11.728 35.006 1.00 21.67 H new ATOM 0 HG LEU B 51 6.272 11.285 37.729 1.00 20.69 H new ATOM 0 HD11 LEU B 51 6.473 13.523 38.240 1.00 19.77 H new ATOM 0 HD12 LEU B 51 7.866 12.946 37.756 1.00 19.77 H new ATOM 0 HD13 LEU B 51 6.984 13.816 36.770 1.00 19.77 H new ATOM 0 HD21 LEU B 51 4.394 12.636 37.318 1.00 21.72 H new ATOM 0 HD22 LEU B 51 4.909 12.895 35.843 1.00 21.72 H new ATOM 0 HD23 LEU B 51 4.437 11.446 36.273 1.00 21.72 H new ATOM 1725 N SER B 52 9.003 9.454 36.900 1.00 22.17 N ATOM 1726 CA SER B 52 9.809 8.984 37.993 1.00 22.63 C ATOM 1727 C SER B 52 10.661 10.153 38.373 1.00 22.87 C ATOM 1728 O SER B 52 11.203 10.852 37.519 1.00 23.10 O ATOM 1729 CB SER B 52 10.615 7.774 37.574 1.00 22.64 C ATOM 1730 OG SER B 52 9.705 6.755 37.183 1.00 24.12 O ATOM 0 H SER B 52 9.435 9.909 36.312 1.00 22.17 H new ATOM 0 HA SER B 52 9.284 8.685 38.752 1.00 22.63 H new ATOM 0 HB2 SER B 52 11.208 7.999 36.840 1.00 22.64 H new ATOM 0 HB3 SER B 52 11.173 7.468 38.306 1.00 22.64 H new ATOM 0 HG SER B 52 10.133 6.073 36.945 1.00 24.12 H new ATOM 1731 N ILE B 53 10.694 10.424 39.662 1.00 23.24 N ATOM 1732 CA ILE B 53 11.443 11.532 40.190 1.00 23.32 C ATOM 1733 C ILE B 53 12.358 10.998 41.260 1.00 23.44 C ATOM 1734 O ILE B 53 12.164 9.859 41.739 1.00 22.56 O ATOM 1735 CB ILE B 53 10.474 12.485 40.794 1.00 23.68 C ATOM 1736 CG1 ILE B 53 10.005 11.991 42.168 1.00 24.87 C ATOM 1737 CG2 ILE B 53 9.261 12.560 39.921 1.00 24.60 C ATOM 1738 CD1 ILE B 53 8.881 12.827 42.781 1.00 26.02 C ATOM 0 H ILE B 53 10.278 9.964 40.258 1.00 23.24 H new ATOM 0 HA ILE B 53 11.962 11.977 39.502 1.00 23.32 H new ATOM 0 HB ILE B 53 10.912 13.346 40.882 1.00 23.68 H new ATOM 0 HG12 ILE B 53 9.704 11.073 42.085 1.00 24.87 H new ATOM 0 HG13 ILE B 53 10.761 11.988 42.775 1.00 24.87 H new ATOM 0 HG21 ILE B 53 8.622 13.180 40.307 1.00 24.60 H new ATOM 0 HG22 ILE B 53 9.517 12.868 39.037 1.00 24.60 H new ATOM 0 HG23 ILE B 53 8.857 11.681 39.852 1.00 24.60 H new ATOM 0 HD11 ILE B 53 8.637 12.458 43.644 1.00 26.02 H new ATOM 0 HD12 ILE B 53 9.183 13.742 42.894 1.00 26.02 H new ATOM 0 HD13 ILE B 53 8.109 12.812 42.194 1.00 26.02 H new ATOM 1739 N LYS B 54 13.362 11.815 41.617 1.00 23.81 N ATOM 1740 CA LYS B 54 14.328 11.501 42.685 1.00 23.74 C ATOM 1741 C LYS B 54 14.601 12.802 43.400 1.00 23.36 C ATOM 1742 O LYS B 54 14.906 13.781 42.759 1.00 23.67 O ATOM 1743 CB LYS B 54 15.608 10.915 42.116 1.00 23.65 C ATOM 1744 CG LYS B 54 16.627 10.442 43.163 1.00 24.82 C ATOM 1745 CD LYS B 54 17.939 10.001 42.477 1.00 26.50 C ATOM 1746 CE LYS B 54 19.047 9.707 43.477 1.00 28.43 C ATOM 1747 NZ LYS B 54 20.371 9.295 42.889 1.00 27.73 N ATOM 0 H LYS B 54 13.502 12.576 41.241 1.00 23.81 H new ATOM 0 HA LYS B 54 13.971 10.833 43.291 1.00 23.74 H new ATOM 0 HB2 LYS B 54 15.379 10.165 41.546 1.00 23.65 H new ATOM 0 HB3 LYS B 54 16.030 11.582 41.552 1.00 23.65 H new ATOM 0 HG2 LYS B 54 16.809 11.158 43.792 1.00 24.82 H new ATOM 0 HG3 LYS B 54 16.257 9.704 43.672 1.00 24.82 H new ATOM 0 HD2 LYS B 54 17.771 9.209 41.942 1.00 26.50 H new ATOM 0 HD3 LYS B 54 18.232 10.697 41.869 1.00 26.50 H new ATOM 0 HE2 LYS B 54 19.186 10.498 44.021 1.00 28.43 H new ATOM 0 HE3 LYS B 54 18.744 9.003 44.072 1.00 28.43 H new ATOM 0 HZ1 LYS B 54 20.954 9.145 43.545 1.00 27.73 H new ATOM 0 HZ2 LYS B 54 20.265 8.552 42.411 1.00 27.73 H new ATOM 0 HZ3 LYS B 54 20.678 9.944 42.363 1.00 27.73 H new ATOM 1748 N THR B 55 14.431 12.838 44.718 1.00 23.42 N ATOM 1749 CA THR B 55 14.601 14.080 45.473 1.00 22.94 C ATOM 1750 C THR B 55 14.613 13.894 46.986 1.00 22.49 C ATOM 1751 O THR B 55 14.139 12.893 47.534 1.00 22.53 O ATOM 1752 CB THR B 55 13.433 15.048 45.112 1.00 23.37 C ATOM 1753 OG1 THR B 55 13.497 16.256 45.887 1.00 24.42 O ATOM 1754 CG2 THR B 55 12.084 14.471 45.503 1.00 22.54 C ATOM 0 H THR B 55 14.217 12.156 45.196 1.00 23.42 H new ATOM 0 HA THR B 55 15.469 14.434 45.225 1.00 22.94 H new ATOM 0 HB THR B 55 13.521 15.196 44.157 1.00 23.37 H new ATOM 0 HG1 THR B 55 13.894 16.851 45.446 1.00 24.42 H new ATOM 0 HG21 THR B 55 11.383 15.097 45.265 1.00 22.54 H new ATOM 0 HG22 THR B 55 11.942 13.634 45.035 1.00 22.54 H new ATOM 0 HG23 THR B 55 12.064 14.313 46.460 1.00 22.54 H new ATOM 1755 N GLU B 56 15.139 14.902 47.660 1.00 21.94 N ATOM 1756 CA GLU B 56 15.137 14.951 49.118 1.00 21.66 C ATOM 1757 C GLU B 56 14.190 16.063 49.574 1.00 20.35 C ATOM 1758 O GLU B 56 14.081 16.324 50.754 1.00 20.08 O ATOM 1759 CB GLU B 56 16.550 15.222 49.646 1.00 21.87 C ATOM 1760 CG GLU B 56 17.517 14.080 49.429 1.00 24.01 C ATOM 1761 CD GLU B 56 18.959 14.522 49.465 1.00 27.25 C ATOM 1762 OE1 GLU B 56 19.185 15.751 49.380 1.00 30.26 O ATOM 1763 OE2 GLU B 56 19.859 13.650 49.559 1.00 27.37 O ATOM 0 H GLU B 56 15.510 15.582 47.287 1.00 21.94 H new ATOM 0 HA GLU B 56 14.838 14.097 49.468 1.00 21.66 H new ATOM 0 HB2 GLU B 56 16.900 16.017 49.214 1.00 21.87 H new ATOM 0 HB3 GLU B 56 16.499 15.415 50.595 1.00 21.87 H new ATOM 0 HG2 GLU B 56 17.373 13.405 50.111 1.00 24.01 H new ATOM 0 HG3 GLU B 56 17.332 13.663 48.573 1.00 24.01 H new ATOM 1764 N ALA B 57 13.537 16.709 48.613 1.00 19.45 N ATOM 1765 CA ALA B 57 12.605 17.801 48.843 1.00 19.32 C ATOM 1766 C ALA B 57 11.377 17.469 49.689 1.00 19.18 C ATOM 1767 O ALA B 57 10.829 16.385 49.604 1.00 18.91 O ATOM 1768 CB ALA B 57 12.142 18.330 47.511 1.00 19.37 C ATOM 0 H ALA B 57 13.630 16.515 47.780 1.00 19.45 H new ATOM 0 HA ALA B 57 13.102 18.454 49.360 1.00 19.32 H new ATOM 0 HB1 ALA B 57 11.519 19.060 47.651 1.00 19.37 H new ATOM 0 HB2 ALA B 57 12.906 18.650 47.006 1.00 19.37 H new ATOM 0 HB3 ALA B 57 11.702 17.621 47.016 1.00 19.37 H new ATOM 1769 N THR B 58 10.929 18.432 50.481 1.00 19.25 N ATOM 1770 CA THR B 58 9.717 18.252 51.265 1.00 19.68 C ATOM 1771 C THR B 58 8.607 19.142 50.684 1.00 19.61 C ATOM 1772 O THR B 58 7.438 19.075 51.122 1.00 19.12 O ATOM 1773 CB THR B 58 9.926 18.570 52.766 1.00 19.91 C ATOM 1774 OG1 THR B 58 10.087 19.978 52.966 1.00 18.47 O ATOM 1775 CG2 THR B 58 11.198 17.953 53.275 1.00 21.57 C ATOM 0 H THR B 58 11.311 19.196 50.579 1.00 19.25 H new ATOM 0 HA THR B 58 9.464 17.317 51.211 1.00 19.68 H new ATOM 0 HB THR B 58 9.148 18.223 53.229 1.00 19.91 H new ATOM 0 HG1 THR B 58 10.198 20.134 53.784 1.00 18.47 H new ATOM 0 HG21 THR B 58 11.307 18.165 54.215 1.00 21.57 H new ATOM 0 HG22 THR B 58 11.158 16.990 53.164 1.00 21.57 H new ATOM 0 HG23 THR B 58 11.951 18.305 52.775 1.00 21.57 H new ATOM 1776 N GLN B 59 8.986 19.926 49.674 1.00 19.21 N ATOM 1777 CA GLN B 59 8.100 20.863 49.019 1.00 19.33 C ATOM 1778 C GLN B 59 8.625 21.101 47.606 1.00 19.13 C ATOM 1779 O GLN B 59 9.821 21.136 47.413 1.00 19.21 O ATOM 1780 CB GLN B 59 8.116 22.203 49.768 1.00 19.51 C ATOM 1781 CG GLN B 59 7.853 22.136 51.265 1.00 19.44 C ATOM 1782 CD GLN B 59 6.432 21.906 51.561 1.00 20.18 C ATOM 1783 OE1 GLN B 59 5.599 22.168 50.584 1.00 20.32 O flip ATOM 1784 NE2 GLN B 59 6.071 21.477 52.654 1.00 23.45 N flip ATOM 0 H GLN B 59 9.783 19.922 49.350 1.00 19.21 H new ATOM 0 HA GLN B 59 7.198 20.507 49.005 1.00 19.33 H new ATOM 0 HB2 GLN B 59 8.980 22.621 49.628 1.00 19.51 H new ATOM 0 HB3 GLN B 59 7.452 22.785 49.367 1.00 19.51 H new ATOM 0 HG2 GLN B 59 8.384 21.424 51.655 1.00 19.44 H new ATOM 0 HG3 GLN B 59 8.140 22.964 51.681 1.00 19.44 H new ATOM 0 HE21 GLN B 59 6.653 21.319 53.267 1.00 23.45 H new ATOM 0 HE22 GLN B 59 5.237 21.335 52.806 1.00 23.45 H new ATOM 1785 N GLY B 60 7.739 21.302 46.630 1.00 18.76 N ATOM 1786 CA GLY B 60 8.160 21.550 45.255 1.00 18.00 C ATOM 1787 C GLY B 60 7.103 21.212 44.210 1.00 17.40 C ATOM 1788 O GLY B 60 6.222 20.392 44.451 1.00 17.70 O ATOM 0 H GLY B 60 6.887 21.298 46.746 1.00 18.76 H new ATOM 0 HA2 GLY B 60 8.403 22.485 45.165 1.00 18.00 H new ATOM 0 HA3 GLY B 60 8.959 21.031 45.073 1.00 18.00 H new ATOM 1789 N LEU B 61 7.193 21.869 43.054 1.00 16.62 N ATOM 1790 CA LEU B 61 6.267 21.683 41.935 1.00 15.77 C ATOM 1791 C LEU B 61 6.827 20.665 40.973 1.00 15.11 C ATOM 1792 O LEU B 61 7.990 20.753 40.577 1.00 14.53 O ATOM 1793 CB LEU B 61 6.079 23.002 41.196 1.00 15.69 C ATOM 1794 CG LEU B 61 5.220 22.983 39.927 1.00 17.33 C ATOM 1795 CD1 LEU B 61 3.749 22.617 40.184 1.00 17.19 C ATOM 1796 CD2 LEU B 61 5.248 24.357 39.290 1.00 19.26 C ATOM 0 H LEU B 61 7.808 22.449 42.894 1.00 16.62 H new ATOM 0 HA LEU B 61 5.415 21.375 42.282 1.00 15.77 H new ATOM 0 HB2 LEU B 61 5.687 23.639 41.814 1.00 15.69 H new ATOM 0 HB3 LEU B 61 6.957 23.341 40.959 1.00 15.69 H new ATOM 0 HG LEU B 61 5.598 22.300 39.351 1.00 17.33 H new ATOM 0 HD11 LEU B 61 3.263 22.623 39.345 1.00 17.19 H new ATOM 0 HD12 LEU B 61 3.700 21.733 40.580 1.00 17.19 H new ATOM 0 HD13 LEU B 61 3.355 23.264 40.790 1.00 17.19 H new ATOM 0 HD21 LEU B 61 4.706 24.352 38.486 1.00 19.26 H new ATOM 0 HD22 LEU B 61 4.894 25.010 39.914 1.00 19.26 H new ATOM 0 HD23 LEU B 61 6.162 24.590 39.062 1.00 19.26 H new ATOM 1797 N ILE B 62 6.007 19.699 40.583 1.00 14.74 N ATOM 1798 CA ILE B 62 6.483 18.645 39.705 1.00 14.58 C ATOM 1799 C ILE B 62 6.037 18.871 38.291 1.00 13.95 C ATOM 1800 O ILE B 62 6.805 18.794 37.364 1.00 14.34 O ATOM 1801 CB ILE B 62 5.949 17.313 40.138 1.00 14.94 C ATOM 1802 CG1 ILE B 62 6.425 16.953 41.544 1.00 14.85 C ATOM 1803 CG2 ILE B 62 6.408 16.248 39.156 1.00 16.84 C ATOM 1804 CD1 ILE B 62 5.645 15.778 42.143 1.00 14.95 C ATOM 0 H ILE B 62 5.181 19.636 40.813 1.00 14.74 H new ATOM 0 HA ILE B 62 7.452 18.657 39.754 1.00 14.58 H new ATOM 0 HB ILE B 62 4.980 17.361 40.153 1.00 14.94 H new ATOM 0 HG12 ILE B 62 7.369 16.730 41.516 1.00 14.85 H new ATOM 0 HG13 ILE B 62 6.333 17.727 42.122 1.00 14.85 H new ATOM 0 HG21 ILE B 62 6.065 15.384 39.432 1.00 16.84 H new ATOM 0 HG22 ILE B 62 6.075 16.460 38.270 1.00 16.84 H new ATOM 0 HG23 ILE B 62 7.377 16.220 39.139 1.00 16.84 H new ATOM 0 HD11 ILE B 62 5.981 15.586 43.033 1.00 14.95 H new ATOM 0 HD12 ILE B 62 4.704 16.007 42.196 1.00 14.95 H new ATOM 0 HD13 ILE B 62 5.756 14.996 41.581 1.00 14.95 H new ATOM 1805 N LEU B 63 4.759 19.092 38.121 1.00 13.81 N ATOM 1806 CA LEU B 63 4.189 19.276 36.800 1.00 13.93 C ATOM 1807 C LEU B 63 2.936 20.113 36.920 1.00 13.58 C ATOM 1808 O LEU B 63 2.115 19.914 37.842 1.00 13.23 O ATOM 1809 CB LEU B 63 3.828 17.902 36.236 1.00 14.90 C ATOM 1810 CG LEU B 63 3.030 17.647 34.960 1.00 15.57 C ATOM 1811 CD1 LEU B 63 3.086 16.155 34.607 1.00 16.11 C ATOM 1812 CD2 LEU B 63 1.614 18.096 35.081 1.00 15.73 C ATOM 0 H LEU B 63 4.190 19.141 38.764 1.00 13.81 H new ATOM 0 HA LEU B 63 4.822 19.721 36.215 1.00 13.93 H new ATOM 0 HB2 LEU B 63 4.670 17.436 36.118 1.00 14.90 H new ATOM 0 HB3 LEU B 63 3.347 17.444 36.944 1.00 14.90 H new ATOM 0 HG LEU B 63 3.434 18.169 34.249 1.00 15.57 H new ATOM 0 HD11 LEU B 63 2.578 15.995 33.796 1.00 16.11 H new ATOM 0 HD12 LEU B 63 4.009 15.890 34.468 1.00 16.11 H new ATOM 0 HD13 LEU B 63 2.706 15.636 35.333 1.00 16.11 H new ATOM 0 HD21 LEU B 63 1.145 17.916 34.251 1.00 15.73 H new ATOM 0 HD22 LEU B 63 1.183 17.617 35.806 1.00 15.73 H new ATOM 0 HD23 LEU B 63 1.591 19.048 35.265 1.00 15.73 H new ATOM 1813 N TRP B 64 2.799 21.067 36.007 1.00 12.88 N ATOM 1814 CA TRP B 64 1.616 21.901 35.961 1.00 12.53 C ATOM 1815 C TRP B 64 1.125 21.912 34.523 1.00 12.94 C ATOM 1816 O TRP B 64 1.885 22.224 33.622 1.00 14.19 O ATOM 1817 CB TRP B 64 1.920 23.308 36.460 1.00 11.72 C ATOM 1818 CG TRP B 64 0.734 24.137 36.602 1.00 10.85 C ATOM 1819 CD1 TRP B 64 0.058 24.758 35.603 1.00 12.09 C ATOM 1820 CD2 TRP B 64 0.029 24.465 37.816 1.00 11.42 C ATOM 1821 NE1 TRP B 64 -1.010 25.464 36.108 1.00 11.36 N ATOM 1822 CE2 TRP B 64 -1.056 25.296 37.464 1.00 10.69 C ATOM 1823 CE3 TRP B 64 0.210 24.147 39.166 1.00 10.80 C ATOM 1824 CZ2 TRP B 64 -1.953 25.796 38.403 1.00 10.05 C ATOM 1825 CZ3 TRP B 64 -0.656 24.632 40.079 1.00 9.73 C ATOM 1826 CH2 TRP B 64 -1.740 25.457 39.700 1.00 11.33 C ATOM 0 H TRP B 64 3.385 21.245 35.404 1.00 12.88 H new ATOM 0 HA TRP B 64 0.926 21.548 36.545 1.00 12.53 H new ATOM 0 HB2 TRP B 64 2.371 23.250 37.317 1.00 11.72 H new ATOM 0 HB3 TRP B 64 2.535 23.737 35.844 1.00 11.72 H new ATOM 0 HD1 TRP B 64 0.285 24.713 34.702 1.00 12.09 H new ATOM 0 HE1 TRP B 64 -1.560 25.935 35.645 1.00 11.36 H new ATOM 0 HE3 TRP B 64 0.919 23.607 39.431 1.00 10.80 H new ATOM 0 HZ2 TRP B 64 -2.666 26.338 38.153 1.00 10.05 H new ATOM 0 HZ3 TRP B 64 -0.538 24.419 40.977 1.00 9.73 H new ATOM 0 HH2 TRP B 64 -2.320 25.774 40.354 1.00 11.33 H new ATOM 1827 N SER B 65 -0.135 21.543 34.317 1.00 13.29 N ATOM 1828 CA SER B 65 -0.750 21.494 32.995 1.00 13.19 C ATOM 1829 C SER B 65 -2.002 22.344 32.967 1.00 12.96 C ATOM 1830 O SER B 65 -2.994 21.998 33.531 1.00 12.17 O ATOM 1831 CB SER B 65 -1.142 20.056 32.626 1.00 13.47 C ATOM 1832 OG SER B 65 -2.074 20.020 31.549 1.00 12.31 O ATOM 0 H SER B 65 -0.666 21.310 34.952 1.00 13.29 H new ATOM 0 HA SER B 65 -0.100 21.830 32.358 1.00 13.19 H new ATOM 0 HB2 SER B 65 -0.347 19.557 32.382 1.00 13.47 H new ATOM 0 HB3 SER B 65 -1.526 19.617 33.401 1.00 13.47 H new ATOM 0 HG SER B 65 -2.266 19.222 31.371 1.00 12.31 H new ATOM 1833 N GLY B 66 -1.929 23.463 32.273 1.00 13.80 N ATOM 1834 CA GLY B 66 -3.029 24.396 32.142 1.00 13.41 C ATOM 1835 C GLY B 66 -2.515 25.639 31.420 1.00 13.82 C ATOM 1836 O GLY B 66 -1.294 25.908 31.359 1.00 11.88 O ATOM 0 H GLY B 66 -1.219 23.708 31.853 1.00 13.80 H new ATOM 0 HA2 GLY B 66 -3.758 23.993 31.645 1.00 13.41 H new ATOM 0 HA3 GLY B 66 -3.378 24.632 33.016 1.00 13.41 H new ATOM 1837 N LYS B 67 -3.447 26.431 30.905 1.00 14.40 N ATOM 1838 CA LYS B 67 -3.052 27.629 30.200 1.00 15.50 C ATOM 1839 C LYS B 67 -2.188 28.533 31.107 1.00 15.16 C ATOM 1840 O LYS B 67 -1.290 29.188 30.626 1.00 15.27 O ATOM 1841 CB LYS B 67 -4.269 28.367 29.665 1.00 15.86 C ATOM 1842 CG LYS B 67 -3.921 29.305 28.539 1.00 19.23 C ATOM 1843 CD LYS B 67 -5.103 30.143 28.148 1.00 24.97 C ATOM 1844 CE LYS B 67 -4.868 30.906 26.836 1.00 27.81 C ATOM 1845 NZ LYS B 67 -5.719 30.345 25.697 1.00 30.95 N ATOM 0 H LYS B 67 -4.294 26.293 30.953 1.00 14.40 H new ATOM 0 HA LYS B 67 -2.509 27.374 29.437 1.00 15.50 H new ATOM 0 HB2 LYS B 67 -4.925 27.723 29.355 1.00 15.86 H new ATOM 0 HB3 LYS B 67 -4.682 28.869 30.385 1.00 15.86 H new ATOM 0 HG2 LYS B 67 -3.188 29.880 28.808 1.00 19.23 H new ATOM 0 HG3 LYS B 67 -3.615 28.795 27.773 1.00 19.23 H new ATOM 0 HD2 LYS B 67 -5.883 29.574 28.054 1.00 24.97 H new ATOM 0 HD3 LYS B 67 -5.297 30.776 28.857 1.00 24.97 H new ATOM 0 HE2 LYS B 67 -5.077 31.844 26.965 1.00 27.81 H new ATOM 0 HE3 LYS B 67 -3.930 30.855 26.595 1.00 27.81 H new ATOM 0 HZ1 LYS B 67 -5.561 30.807 24.953 1.00 30.95 H new ATOM 0 HZ2 LYS B 67 -5.512 29.490 25.565 1.00 30.95 H new ATOM 0 HZ3 LYS B 67 -6.581 30.412 25.909 1.00 30.95 H new ATOM 1846 N GLY B 68 -2.475 28.576 32.403 1.00 15.04 N ATOM 1847 CA GLY B 68 -1.706 29.382 33.332 1.00 15.23 C ATOM 1848 C GLY B 68 -2.249 30.759 33.707 1.00 15.24 C ATOM 1849 O GLY B 68 -1.509 31.711 33.911 1.00 15.80 O ATOM 0 H GLY B 68 -3.121 28.138 32.765 1.00 15.04 H new ATOM 0 HA2 GLY B 68 -1.599 28.872 34.150 1.00 15.23 H new ATOM 0 HA3 GLY B 68 -0.820 29.504 32.956 1.00 15.23 H new ATOM 1850 N LEU B 69 -3.542 30.895 33.837 1.00 15.31 N ATOM 1851 CA LEU B 69 -4.075 32.205 34.186 1.00 15.68 C ATOM 1852 C LEU B 69 -5.127 32.046 35.245 1.00 14.91 C ATOM 1853 O LEU B 69 -5.801 31.026 35.287 1.00 14.85 O ATOM 1854 CB LEU B 69 -4.666 32.901 32.961 1.00 16.16 C ATOM 1855 CG LEU B 69 -3.725 32.945 31.749 1.00 17.02 C ATOM 1856 CD1 LEU B 69 -4.522 33.352 30.488 1.00 17.12 C ATOM 1857 CD2 LEU B 69 -2.547 33.902 32.032 1.00 16.19 C ATOM 0 H LEU B 69 -4.123 30.269 33.734 1.00 15.31 H new ATOM 0 HA LEU B 69 -3.351 32.756 34.523 1.00 15.68 H new ATOM 0 HB2 LEU B 69 -5.484 32.447 32.706 1.00 16.16 H new ATOM 0 HB3 LEU B 69 -4.909 33.808 33.203 1.00 16.16 H new ATOM 0 HG LEU B 69 -3.349 32.066 31.587 1.00 17.02 H new ATOM 0 HD11 LEU B 69 -3.926 33.379 29.723 1.00 17.12 H new ATOM 0 HD12 LEU B 69 -5.225 32.704 30.326 1.00 17.12 H new ATOM 0 HD13 LEU B 69 -4.915 34.228 30.622 1.00 17.12 H new ATOM 0 HD21 LEU B 69 -1.957 33.925 31.263 1.00 16.19 H new ATOM 0 HD22 LEU B 69 -2.888 34.794 32.204 1.00 16.19 H new ATOM 0 HD23 LEU B 69 -2.055 33.589 32.807 1.00 16.19 H new ATOM 1858 N GLU B 70 -5.259 33.059 36.089 1.00 14.28 N ATOM 1859 CA GLU B 70 -6.204 33.037 37.199 1.00 14.40 C ATOM 1860 C GLU B 70 -7.519 32.268 36.954 1.00 13.55 C ATOM 1861 O GLU B 70 -8.063 31.674 37.868 1.00 12.73 O ATOM 1862 CB GLU B 70 -6.533 34.471 37.618 1.00 14.79 C ATOM 1863 CG GLU B 70 -5.463 35.189 38.425 1.00 15.85 C ATOM 1864 CD GLU B 70 -6.060 36.297 39.271 1.00 18.90 C ATOM 1865 OE1 GLU B 70 -6.882 35.967 40.156 1.00 23.83 O ATOM 1866 OE2 GLU B 70 -5.746 37.488 39.051 1.00 20.50 O ATOM 0 H GLU B 70 -4.800 33.784 36.035 1.00 14.28 H new ATOM 0 HA GLU B 70 -5.749 32.544 37.900 1.00 14.40 H new ATOM 0 HB2 GLU B 70 -6.713 34.990 36.819 1.00 14.79 H new ATOM 0 HB3 GLU B 70 -7.352 34.458 38.138 1.00 14.79 H new ATOM 0 HG2 GLU B 70 -5.006 34.553 38.997 1.00 15.85 H new ATOM 0 HG3 GLU B 70 -4.797 35.560 37.825 1.00 15.85 H new ATOM 1867 N ARG B 71 -8.004 32.271 35.724 1.00 13.51 N ATOM 1868 CA ARG B 71 -9.255 31.616 35.382 1.00 13.96 C ATOM 1869 C ARG B 71 -9.139 30.232 34.750 1.00 13.97 C ATOM 1870 O ARG B 71 -10.101 29.467 34.710 1.00 13.53 O ATOM 1871 CB ARG B 71 -10.021 32.504 34.414 1.00 14.25 C ATOM 1872 CG ARG B 71 -9.439 32.609 33.059 1.00 15.12 C ATOM 1873 CD ARG B 71 -10.495 32.610 31.988 1.00 17.60 C ATOM 1874 NE ARG B 71 -9.921 32.430 30.666 1.00 20.93 N ATOM 1875 CZ ARG B 71 -9.081 33.273 30.099 1.00 21.80 C ATOM 1876 NH1 ARG B 71 -8.722 34.371 30.728 1.00 23.99 N ATOM 1877 NH2 ARG B 71 -8.603 33.035 28.895 1.00 23.51 N ATOM 0 H ARG B 71 -7.615 32.655 35.060 1.00 13.51 H new ATOM 0 HA ARG B 71 -9.706 31.483 36.230 1.00 13.96 H new ATOM 0 HB2 ARG B 71 -10.927 32.166 34.336 1.00 14.25 H new ATOM 0 HB3 ARG B 71 -10.082 33.394 34.794 1.00 14.25 H new ATOM 0 HG2 ARG B 71 -8.915 33.423 32.996 1.00 15.12 H new ATOM 0 HG3 ARG B 71 -8.831 31.868 32.911 1.00 15.12 H new ATOM 0 HD2 ARG B 71 -11.134 31.901 32.163 1.00 17.60 H new ATOM 0 HD3 ARG B 71 -10.985 33.447 32.017 1.00 17.60 H new ATOM 0 HE ARG B 71 -10.144 31.727 30.224 1.00 20.93 H new ATOM 0 HH11 ARG B 71 -9.035 34.540 31.511 1.00 23.99 H new ATOM 0 HH12 ARG B 71 -8.174 34.920 30.356 1.00 23.99 H new ATOM 0 HH21 ARG B 71 -8.838 32.324 28.472 1.00 23.51 H new ATOM 0 HH22 ARG B 71 -8.055 33.590 28.532 1.00 23.51 H new ATOM 1878 N SER B 72 -7.960 29.943 34.226 1.00 14.50 N ATOM 1879 CA SER B 72 -7.687 28.708 33.530 1.00 14.75 C ATOM 1880 C SER B 72 -7.818 27.465 34.409 1.00 15.49 C ATOM 1881 O SER B 72 -7.658 27.514 35.627 1.00 16.19 O ATOM 1882 CB SER B 72 -6.271 28.795 33.019 1.00 14.81 C ATOM 1883 OG SER B 72 -5.987 30.119 32.656 1.00 13.08 O ATOM 0 H SER B 72 -7.284 30.473 34.268 1.00 14.50 H new ATOM 0 HA SER B 72 -8.342 28.610 32.821 1.00 14.75 H new ATOM 0 HB2 SER B 72 -5.651 28.497 33.703 1.00 14.81 H new ATOM 0 HB3 SER B 72 -6.155 28.208 32.256 1.00 14.81 H new ATOM 0 HG SER B 72 -5.919 30.172 31.820 1.00 13.08 H new ATOM 1884 N ASP B 73 -8.083 26.336 33.782 1.00 15.56 N ATOM 1885 CA ASP B 73 -8.168 25.090 34.522 1.00 15.43 C ATOM 1886 C ASP B 73 -6.773 24.603 34.663 1.00 15.05 C ATOM 1887 O ASP B 73 -5.904 25.147 34.004 1.00 15.70 O ATOM 1888 CB ASP B 73 -9.003 24.079 33.769 1.00 15.48 C ATOM 1889 CG ASP B 73 -10.379 24.510 33.667 1.00 13.84 C ATOM 1890 OD1 ASP B 73 -11.171 23.819 32.998 1.00 12.16 O ATOM 1891 OD2 ASP B 73 -10.709 25.565 34.246 1.00 13.37 O ATOM 0 H ASP B 73 -8.216 26.267 32.935 1.00 15.56 H new ATOM 0 HA ASP B 73 -8.590 25.221 35.385 1.00 15.43 H new ATOM 0 HB2 ASP B 73 -8.635 23.949 32.881 1.00 15.48 H new ATOM 0 HB3 ASP B 73 -8.963 23.222 34.221 1.00 15.48 H new ATOM 1892 N TYR B 74 -6.551 23.605 35.520 1.00 14.48 N ATOM 1893 CA TYR B 74 -5.193 23.065 35.747 1.00 14.02 C ATOM 1894 C TYR B 74 -5.261 21.708 36.346 1.00 13.52 C ATOM 1895 O TYR B 74 -6.274 21.327 36.924 1.00 15.57 O ATOM 1896 CB TYR B 74 -4.343 23.951 36.679 1.00 13.90 C ATOM 1897 CG TYR B 74 -4.951 24.183 38.057 1.00 14.96 C ATOM 1898 CD1 TYR B 74 -4.787 23.267 39.088 1.00 15.04 C ATOM 1899 CD2 TYR B 74 -5.735 25.307 38.304 1.00 15.45 C ATOM 1900 CE1 TYR B 74 -5.381 23.470 40.325 1.00 15.72 C ATOM 1901 CE2 TYR B 74 -6.331 25.517 39.530 1.00 15.60 C ATOM 1902 CZ TYR B 74 -6.163 24.610 40.536 1.00 15.67 C ATOM 1903 OH TYR B 74 -6.781 24.876 41.741 1.00 12.30 O ATOM 0 H TYR B 74 -7.167 23.223 35.982 1.00 14.48 H new ATOM 0 HA TYR B 74 -4.771 23.038 34.874 1.00 14.02 H new ATOM 0 HB2 TYR B 74 -3.470 23.542 36.788 1.00 13.90 H new ATOM 0 HB3 TYR B 74 -4.203 24.810 36.251 1.00 13.90 H new ATOM 0 HD1 TYR B 74 -4.271 22.506 38.947 1.00 15.04 H new ATOM 0 HD2 TYR B 74 -5.860 25.931 37.626 1.00 15.45 H new ATOM 0 HE1 TYR B 74 -5.260 22.852 41.009 1.00 15.72 H new ATOM 0 HE2 TYR B 74 -6.848 26.277 39.671 1.00 15.60 H new ATOM 0 HH TYR B 74 -7.205 25.599 41.685 1.00 12.30 H new ATOM 1904 N ILE B 75 -4.205 20.955 36.159 1.00 12.84 N ATOM 1905 CA ILE B 75 -4.073 19.643 36.751 1.00 12.67 C ATOM 1906 C ILE B 75 -2.611 19.558 37.030 1.00 12.88 C ATOM 1907 O ILE B 75 -1.762 19.654 36.135 1.00 11.81 O ATOM 1908 CB ILE B 75 -4.576 18.488 35.851 1.00 12.30 C ATOM 1909 CG1 ILE B 75 -4.521 17.181 36.638 1.00 11.81 C ATOM 1910 CG2 ILE B 75 -3.801 18.412 34.598 1.00 11.40 C ATOM 1911 CD1 ILE B 75 -5.039 15.989 35.880 1.00 13.05 C ATOM 0 H ILE B 75 -3.532 21.191 35.678 1.00 12.84 H new ATOM 0 HA ILE B 75 -4.627 19.540 37.540 1.00 12.67 H new ATOM 0 HB ILE B 75 -5.496 18.656 35.594 1.00 12.30 H new ATOM 0 HG12 ILE B 75 -3.603 17.011 36.902 1.00 11.81 H new ATOM 0 HG13 ILE B 75 -5.036 17.283 37.454 1.00 11.81 H new ATOM 0 HG21 ILE B 75 -4.136 17.682 34.054 1.00 11.40 H new ATOM 0 HG22 ILE B 75 -3.891 19.246 34.110 1.00 11.40 H new ATOM 0 HG23 ILE B 75 -2.866 18.258 34.805 1.00 11.40 H new ATOM 0 HD11 ILE B 75 -4.974 15.198 36.437 1.00 13.05 H new ATOM 0 HD12 ILE B 75 -5.966 16.138 35.637 1.00 13.05 H new ATOM 0 HD13 ILE B 75 -4.511 15.862 35.076 1.00 13.05 H new ATOM 1912 N ALA B 76 -2.301 19.486 38.306 1.00 13.49 N ATOM 1913 CA ALA B 76 -0.917 19.472 38.667 1.00 13.85 C ATOM 1914 C ALA B 76 -0.586 18.436 39.722 1.00 13.82 C ATOM 1915 O ALA B 76 -1.463 17.924 40.415 1.00 13.30 O ATOM 1916 CB ALA B 76 -0.518 20.845 39.122 1.00 14.01 C ATOM 0 H ALA B 76 -2.861 19.446 38.957 1.00 13.49 H new ATOM 0 HA ALA B 76 -0.409 19.218 37.881 1.00 13.85 H new ATOM 0 HB1 ALA B 76 0.420 20.844 39.369 1.00 14.01 H new ATOM 0 HB2 ALA B 76 -0.662 21.479 38.402 1.00 14.01 H new ATOM 0 HB3 ALA B 76 -1.054 21.100 39.889 1.00 14.01 H new ATOM 1917 N LEU B 77 0.708 18.152 39.813 1.00 13.94 N ATOM 1918 CA LEU B 77 1.236 17.241 40.796 1.00 14.13 C ATOM 1919 C LEU B 77 2.302 18.070 41.491 1.00 14.76 C ATOM 1920 O LEU B 77 2.996 18.881 40.867 1.00 14.09 O ATOM 1921 CB LEU B 77 1.842 15.989 40.133 1.00 14.01 C ATOM 1922 CG LEU B 77 0.945 15.180 39.190 1.00 12.34 C ATOM 1923 CD1 LEU B 77 1.711 14.170 38.421 1.00 11.38 C ATOM 1924 CD2 LEU B 77 -0.042 14.509 40.001 1.00 13.79 C ATOM 0 H LEU B 77 1.305 18.491 39.295 1.00 13.94 H new ATOM 0 HA LEU B 77 0.560 16.902 41.404 1.00 14.13 H new ATOM 0 HB2 LEU B 77 2.627 16.265 39.635 1.00 14.01 H new ATOM 0 HB3 LEU B 77 2.147 15.396 40.837 1.00 14.01 H new ATOM 0 HG LEU B 77 0.538 15.782 38.548 1.00 12.34 H new ATOM 0 HD11 LEU B 77 1.109 13.681 37.838 1.00 11.38 H new ATOM 0 HD12 LEU B 77 2.387 14.615 37.886 1.00 11.38 H new ATOM 0 HD13 LEU B 77 2.139 13.552 39.034 1.00 11.38 H new ATOM 0 HD21 LEU B 77 -0.628 13.986 39.432 1.00 13.79 H new ATOM 0 HD22 LEU B 77 0.403 13.922 40.633 1.00 13.79 H new ATOM 0 HD23 LEU B 77 -0.565 15.167 40.485 1.00 13.79 H new ATOM 1925 N ALA B 78 2.432 17.885 42.792 1.00 15.68 N ATOM 1926 CA ALA B 78 3.492 18.578 43.502 1.00 16.16 C ATOM 1927 C ALA B 78 3.890 17.823 44.756 1.00 16.09 C ATOM 1928 O ALA B 78 3.231 16.872 45.148 1.00 15.16 O ATOM 1929 CB ALA B 78 3.038 19.948 43.838 1.00 16.69 C ATOM 0 H ALA B 78 1.932 17.377 43.273 1.00 15.68 H new ATOM 0 HA ALA B 78 4.275 18.629 42.931 1.00 16.16 H new ATOM 0 HB1 ALA B 78 3.743 20.415 44.313 1.00 16.69 H new ATOM 0 HB2 ALA B 78 2.825 20.428 43.022 1.00 16.69 H new ATOM 0 HB3 ALA B 78 2.248 19.899 44.399 1.00 16.69 H new ATOM 1930 N ILE B 79 5.009 18.217 45.338 1.00 16.64 N ATOM 1931 CA ILE B 79 5.417 17.648 46.597 1.00 17.64 C ATOM 1932 C ILE B 79 5.038 18.670 47.648 1.00 19.26 C ATOM 1933 O ILE B 79 5.659 19.746 47.736 1.00 19.47 O ATOM 1934 CB ILE B 79 6.915 17.409 46.685 1.00 17.39 C ATOM 1935 CG1 ILE B 79 7.388 16.418 45.614 1.00 15.52 C ATOM 1936 CG2 ILE B 79 7.243 16.912 48.106 1.00 17.25 C ATOM 1937 CD1 ILE B 79 8.837 16.049 45.718 1.00 12.95 C ATOM 0 H ILE B 79 5.542 18.811 45.018 1.00 16.64 H new ATOM 0 HA ILE B 79 4.989 16.785 46.712 1.00 17.64 H new ATOM 0 HB ILE B 79 7.390 18.238 46.515 1.00 17.39 H new ATOM 0 HG12 ILE B 79 6.854 15.611 45.676 1.00 15.52 H new ATOM 0 HG13 ILE B 79 7.224 16.801 44.738 1.00 15.52 H new ATOM 0 HG21 ILE B 79 8.197 16.754 48.181 1.00 17.25 H new ATOM 0 HG22 ILE B 79 6.975 17.583 48.754 1.00 17.25 H new ATOM 0 HG23 ILE B 79 6.764 16.086 48.279 1.00 17.25 H new ATOM 0 HD11 ILE B 79 9.063 15.423 45.013 1.00 12.95 H new ATOM 0 HD12 ILE B 79 9.382 16.847 45.628 1.00 12.95 H new ATOM 0 HD13 ILE B 79 9.005 15.638 46.580 1.00 12.95 H new ATOM 1938 N VAL B 80 4.012 18.332 48.431 1.00 20.68 N ATOM 1939 CA VAL B 80 3.525 19.180 49.507 1.00 21.66 C ATOM 1940 C VAL B 80 3.751 18.506 50.842 1.00 21.70 C ATOM 1941 O VAL B 80 3.455 17.344 51.031 1.00 21.54 O ATOM 1942 CB VAL B 80 2.025 19.413 49.344 1.00 22.65 C ATOM 1943 CG1 VAL B 80 1.446 20.172 50.537 1.00 23.43 C ATOM 1944 CG2 VAL B 80 1.766 20.172 48.056 1.00 24.11 C ATOM 0 H VAL B 80 3.578 17.594 48.347 1.00 20.68 H new ATOM 0 HA VAL B 80 4.004 20.023 49.473 1.00 21.66 H new ATOM 0 HB VAL B 80 1.583 18.551 49.305 1.00 22.65 H new ATOM 0 HG11 VAL B 80 0.494 20.305 50.405 1.00 23.43 H new ATOM 0 HG12 VAL B 80 1.591 19.660 51.348 1.00 23.43 H new ATOM 0 HG13 VAL B 80 1.884 21.034 50.616 1.00 23.43 H new ATOM 0 HG21 VAL B 80 0.813 20.320 47.953 1.00 24.11 H new ATOM 0 HG22 VAL B 80 2.224 21.027 48.086 1.00 24.11 H new ATOM 0 HG23 VAL B 80 2.096 19.656 47.304 1.00 24.11 H new ATOM 1945 N ASP B 81 4.322 19.237 51.768 1.00 22.38 N ATOM 1946 CA ASP B 81 4.621 18.687 53.086 1.00 23.12 C ATOM 1947 C ASP B 81 5.198 17.258 53.124 1.00 23.33 C ATOM 1948 O ASP B 81 5.138 16.595 54.153 1.00 23.63 O ATOM 1949 CB ASP B 81 3.408 18.809 53.983 1.00 22.48 C ATOM 1950 CG ASP B 81 3.222 20.205 54.473 1.00 24.22 C ATOM 1951 OD1 ASP B 81 4.208 20.961 54.384 1.00 23.62 O ATOM 1952 OD2 ASP B 81 2.140 20.659 54.943 1.00 27.84 O ATOM 0 H ASP B 81 4.550 20.060 51.663 1.00 22.38 H new ATOM 0 HA ASP B 81 5.353 19.231 53.417 1.00 23.12 H new ATOM 0 HB2 ASP B 81 2.617 18.528 53.497 1.00 22.48 H new ATOM 0 HB3 ASP B 81 3.504 18.210 54.740 1.00 22.48 H new ATOM 1953 N GLY B 82 5.813 16.793 52.046 1.00 23.56 N ATOM 1954 CA GLY B 82 6.398 15.465 52.087 1.00 23.53 C ATOM 1955 C GLY B 82 5.752 14.350 51.287 1.00 23.24 C ATOM 1956 O GLY B 82 6.226 13.217 51.341 1.00 22.78 O ATOM 0 H GLY B 82 5.901 17.216 51.302 1.00 23.56 H new ATOM 0 HA2 GLY B 82 7.319 15.542 51.791 1.00 23.53 H new ATOM 0 HA3 GLY B 82 6.421 15.184 53.015 1.00 23.53 H new ATOM 1957 N PHE B 83 4.681 14.639 50.554 1.00 23.02 N ATOM 1958 CA PHE B 83 4.083 13.605 49.716 1.00 23.00 C ATOM 1959 C PHE B 83 3.482 14.137 48.425 1.00 22.16 C ATOM 1960 O PHE B 83 2.716 15.080 48.442 1.00 22.37 O ATOM 1961 CB PHE B 83 2.999 12.849 50.483 1.00 23.46 C ATOM 1962 CG PHE B 83 3.394 12.463 51.870 1.00 24.74 C ATOM 1963 CD1 PHE B 83 3.408 13.404 52.886 1.00 26.22 C ATOM 1964 CD2 PHE B 83 3.739 11.169 52.160 1.00 26.33 C ATOM 1965 CE1 PHE B 83 3.756 13.060 54.161 1.00 26.27 C ATOM 1966 CE2 PHE B 83 4.094 10.819 53.433 1.00 27.37 C ATOM 1967 CZ PHE B 83 4.106 11.770 54.438 1.00 27.27 C ATOM 0 H PHE B 83 4.294 15.406 50.527 1.00 23.02 H new ATOM 0 HA PHE B 83 4.813 13.013 49.477 1.00 23.00 H new ATOM 0 HB2 PHE B 83 2.202 13.400 50.525 1.00 23.46 H new ATOM 0 HB3 PHE B 83 2.765 12.048 49.989 1.00 23.46 H new ATOM 0 HD1 PHE B 83 3.177 14.285 52.697 1.00 26.22 H new ATOM 0 HD2 PHE B 83 3.732 10.526 51.488 1.00 26.33 H new ATOM 0 HE1 PHE B 83 3.755 13.700 54.836 1.00 26.27 H new ATOM 0 HE2 PHE B 83 4.328 9.939 53.624 1.00 27.37 H new ATOM 0 HZ PHE B 83 4.352 11.530 55.302 1.00 27.27 H new ATOM 1968 N VAL B 84 3.822 13.498 47.313 1.00 21.20 N ATOM 1969 CA VAL B 84 3.254 13.842 46.009 1.00 20.89 C ATOM 1970 C VAL B 84 1.706 13.962 46.038 1.00 19.92 C ATOM 1971 O VAL B 84 1.024 13.029 46.373 1.00 19.07 O ATOM 1972 CB VAL B 84 3.637 12.773 44.961 1.00 20.73 C ATOM 1973 CG1 VAL B 84 3.404 13.317 43.550 1.00 21.56 C ATOM 1974 CG2 VAL B 84 5.083 12.355 45.133 1.00 21.09 C ATOM 0 H VAL B 84 4.389 12.852 47.290 1.00 21.20 H new ATOM 0 HA VAL B 84 3.622 14.708 45.773 1.00 20.89 H new ATOM 0 HB VAL B 84 3.076 11.993 45.093 1.00 20.73 H new ATOM 0 HG11 VAL B 84 3.646 12.641 42.898 1.00 21.56 H new ATOM 0 HG12 VAL B 84 2.468 13.548 43.443 1.00 21.56 H new ATOM 0 HG13 VAL B 84 3.950 14.107 43.414 1.00 21.56 H new ATOM 0 HG21 VAL B 84 5.307 11.685 44.469 1.00 21.09 H new ATOM 0 HG22 VAL B 84 5.659 13.127 45.020 1.00 21.09 H new ATOM 0 HG23 VAL B 84 5.210 11.985 46.021 1.00 21.09 H new ATOM 1975 N GLN B 85 1.158 15.119 45.712 1.00 19.52 N ATOM 1976 CA GLN B 85 -0.285 15.272 45.737 1.00 19.70 C ATOM 1977 C GLN B 85 -0.811 15.777 44.414 1.00 19.80 C ATOM 1978 O GLN B 85 -0.131 16.528 43.719 1.00 20.69 O ATOM 1979 CB GLN B 85 -0.706 16.201 46.869 1.00 19.80 C ATOM 1980 CG GLN B 85 -0.699 17.702 46.566 1.00 20.04 C ATOM 1981 CD GLN B 85 -1.556 18.523 47.563 1.00 20.32 C ATOM 1982 OE1 GLN B 85 -2.009 19.632 47.244 1.00 21.05 O ATOM 1983 NE2 GLN B 85 -1.793 17.970 48.753 1.00 19.22 N ATOM 0 H GLN B 85 1.596 15.820 45.476 1.00 19.52 H new ATOM 0 HA GLN B 85 -0.671 14.396 45.894 1.00 19.70 H new ATOM 0 HB2 GLN B 85 -1.601 15.953 47.147 1.00 19.80 H new ATOM 0 HB3 GLN B 85 -0.120 16.042 47.625 1.00 19.80 H new ATOM 0 HG2 GLN B 85 0.215 18.027 46.588 1.00 20.04 H new ATOM 0 HG3 GLN B 85 -1.030 17.847 45.666 1.00 20.04 H new ATOM 0 HE21 GLN B 85 -1.463 17.199 48.942 1.00 19.22 H new ATOM 0 HE22 GLN B 85 -2.276 18.385 49.331 1.00 19.22 H new ATOM 1984 N MET B 86 -1.998 15.337 44.026 1.00 19.59 N ATOM 1985 CA MET B 86 -2.556 15.795 42.763 1.00 19.48 C ATOM 1986 C MET B 86 -3.793 16.640 42.991 1.00 19.90 C ATOM 1987 O MET B 86 -4.717 16.239 43.717 1.00 20.34 O ATOM 1988 CB MET B 86 -2.897 14.640 41.831 1.00 19.03 C ATOM 1989 CG MET B 86 -3.376 15.110 40.467 1.00 17.13 C ATOM 1990 SD MET B 86 -3.822 13.776 39.427 1.00 14.11 S ATOM 1991 CE MET B 86 -5.227 13.079 40.379 1.00 12.86 C ATOM 0 H MET B 86 -2.488 14.785 44.467 1.00 19.59 H new ATOM 0 HA MET B 86 -1.870 16.334 42.338 1.00 19.48 H new ATOM 0 HB2 MET B 86 -2.115 14.078 41.719 1.00 19.03 H new ATOM 0 HB3 MET B 86 -3.584 14.091 42.240 1.00 19.03 H new ATOM 0 HG2 MET B 86 -4.138 15.699 40.579 1.00 17.13 H new ATOM 0 HG3 MET B 86 -2.676 15.630 40.042 1.00 17.13 H new ATOM 0 HE1 MET B 86 -5.768 12.523 39.797 1.00 12.86 H new ATOM 0 HE2 MET B 86 -4.887 12.544 41.113 1.00 12.86 H new ATOM 0 HE3 MET B 86 -5.770 13.802 40.731 1.00 12.86 H new ATOM 1992 N MET B 87 -3.804 17.789 42.317 1.00 19.97 N ATOM 1993 CA MET B 87 -4.854 18.777 42.424 1.00 19.90 C ATOM 1994 C MET B 87 -5.249 19.283 41.019 1.00 18.80 C ATOM 1995 O MET B 87 -4.394 19.418 40.145 1.00 19.26 O ATOM 1996 CB MET B 87 -4.261 19.910 43.267 1.00 20.91 C ATOM 1997 CG MET B 87 -5.238 20.922 43.775 1.00 22.91 C ATOM 1998 SD MET B 87 -4.386 22.249 44.603 1.00 26.32 S ATOM 1999 CE MET B 87 -5.825 23.223 44.924 1.00 27.27 C ATOM 0 H MET B 87 -3.179 18.014 41.771 1.00 19.97 H new ATOM 0 HA MET B 87 -5.658 18.417 42.830 1.00 19.90 H new ATOM 0 HB2 MET B 87 -3.801 19.519 44.027 1.00 20.91 H new ATOM 0 HB3 MET B 87 -3.592 20.369 42.736 1.00 20.91 H new ATOM 0 HG2 MET B 87 -5.759 21.275 43.037 1.00 22.91 H new ATOM 0 HG3 MET B 87 -5.862 20.499 44.386 1.00 22.91 H new ATOM 0 HE1 MET B 87 -5.665 23.793 45.692 1.00 27.27 H new ATOM 0 HE2 MET B 87 -6.023 23.773 44.150 1.00 27.27 H new ATOM 0 HE3 MET B 87 -6.577 22.639 45.106 1.00 27.27 H new ATOM 2000 N TYR B 88 -6.521 19.588 40.799 1.00 17.59 N ATOM 2001 CA TYR B 88 -6.967 20.117 39.507 1.00 17.18 C ATOM 2002 C TYR B 88 -8.337 20.809 39.559 1.00 17.31 C ATOM 2003 O TYR B 88 -9.264 20.332 40.218 1.00 17.53 O ATOM 2004 CB TYR B 88 -6.962 19.031 38.444 1.00 16.44 C ATOM 2005 CG TYR B 88 -7.861 17.864 38.738 1.00 17.29 C ATOM 2006 CD1 TYR B 88 -9.198 17.892 38.379 1.00 15.58 C ATOM 2007 CD2 TYR B 88 -7.371 16.714 39.339 1.00 17.91 C ATOM 2008 CE1 TYR B 88 -9.994 16.861 38.603 1.00 15.14 C ATOM 2009 CE2 TYR B 88 -8.188 15.661 39.581 1.00 16.88 C ATOM 2010 CZ TYR B 88 -9.511 15.739 39.210 1.00 17.17 C ATOM 2011 OH TYR B 88 -10.399 14.678 39.432 1.00 19.25 O ATOM 0 H TYR B 88 -7.146 19.498 41.383 1.00 17.59 H new ATOM 0 HA TYR B 88 -6.325 20.804 39.270 1.00 17.18 H new ATOM 0 HB2 TYR B 88 -7.227 19.423 37.597 1.00 16.44 H new ATOM 0 HB3 TYR B 88 -6.055 18.706 38.335 1.00 16.44 H new ATOM 0 HD1 TYR B 88 -9.544 18.653 37.971 1.00 15.58 H new ATOM 0 HD2 TYR B 88 -6.474 16.665 39.578 1.00 17.91 H new ATOM 0 HE1 TYR B 88 -10.887 16.901 38.346 1.00 15.14 H new ATOM 0 HE2 TYR B 88 -7.859 14.895 39.993 1.00 16.88 H new ATOM 0 HH TYR B 88 -11.155 14.876 39.124 1.00 19.25 H new ATOM 2012 N ASP B 89 -8.464 21.957 38.903 1.00 17.47 N ATOM 2013 CA ASP B 89 -9.764 22.633 38.841 1.00 17.62 C ATOM 2014 C ASP B 89 -10.214 22.659 37.373 1.00 17.40 C ATOM 2015 O ASP B 89 -9.452 23.055 36.485 1.00 17.72 O ATOM 2016 CB ASP B 89 -9.687 24.056 39.410 1.00 17.96 C ATOM 2017 CG ASP B 89 -11.038 24.577 39.889 1.00 18.99 C ATOM 2018 OD1 ASP B 89 -11.143 25.755 40.301 1.00 18.47 O ATOM 2019 OD2 ASP B 89 -12.067 23.871 39.893 1.00 23.14 O ATOM 0 H ASP B 89 -7.824 22.359 38.492 1.00 17.47 H new ATOM 0 HA ASP B 89 -10.407 22.150 39.383 1.00 17.62 H new ATOM 0 HB2 ASP B 89 -9.059 24.070 40.149 1.00 17.96 H new ATOM 0 HB3 ASP B 89 -9.338 24.653 38.730 1.00 17.96 H new ATOM 2020 N LEU B 90 -11.429 22.190 37.128 1.00 16.82 N ATOM 2021 CA LEU B 90 -12.007 22.124 35.798 1.00 16.44 C ATOM 2022 C LEU B 90 -13.025 23.260 35.665 1.00 16.91 C ATOM 2023 O LEU B 90 -13.496 23.595 34.564 1.00 16.91 O ATOM 2024 CB LEU B 90 -12.727 20.804 35.630 1.00 15.90 C ATOM 2025 CG LEU B 90 -11.984 19.617 36.202 1.00 15.87 C ATOM 2026 CD1 LEU B 90 -12.912 18.418 36.292 1.00 16.35 C ATOM 2027 CD2 LEU B 90 -10.801 19.288 35.358 1.00 16.03 C ATOM 0 H LEU B 90 -11.951 21.895 37.745 1.00 16.82 H new ATOM 0 HA LEU B 90 -11.312 22.204 35.126 1.00 16.44 H new ATOM 0 HB2 LEU B 90 -13.596 20.865 36.056 1.00 15.90 H new ATOM 0 HB3 LEU B 90 -12.884 20.650 34.685 1.00 15.90 H new ATOM 0 HG LEU B 90 -11.674 19.844 37.093 1.00 15.87 H new ATOM 0 HD11 LEU B 90 -12.429 17.661 36.659 1.00 16.35 H new ATOM 0 HD12 LEU B 90 -13.663 18.632 36.868 1.00 16.35 H new ATOM 0 HD13 LEU B 90 -13.238 18.194 35.406 1.00 16.35 H new ATOM 0 HD21 LEU B 90 -10.335 18.526 35.736 1.00 16.03 H new ATOM 0 HD22 LEU B 90 -11.095 19.073 34.459 1.00 16.03 H new ATOM 0 HD23 LEU B 90 -10.202 20.051 35.328 1.00 16.03 H new ATOM 2028 N GLY B 91 -13.366 23.854 36.802 1.00 16.65 N ATOM 2029 CA GLY B 91 -14.286 24.953 36.810 1.00 16.66 C ATOM 2030 C GLY B 91 -15.380 24.801 37.823 1.00 16.52 C ATOM 2031 O GLY B 91 -16.405 25.461 37.712 1.00 17.47 O ATOM 0 H GLY B 91 -13.069 23.627 37.576 1.00 16.65 H new ATOM 0 HA2 GLY B 91 -13.800 25.773 36.989 1.00 16.66 H new ATOM 0 HA3 GLY B 91 -14.680 25.044 35.928 1.00 16.66 H new ATOM 2032 N SER B 92 -15.202 23.917 38.790 1.00 16.03 N ATOM 2033 CA SER B 92 -16.232 23.716 39.787 1.00 15.39 C ATOM 2034 C SER B 92 -15.595 23.426 41.105 1.00 15.50 C ATOM 2035 O SER B 92 -16.098 22.613 41.881 1.00 15.46 O ATOM 2036 CB SER B 92 -17.138 22.580 39.372 1.00 15.13 C ATOM 2037 OG SER B 92 -17.854 22.959 38.204 1.00 15.84 O ATOM 0 H SER B 92 -14.500 23.429 38.886 1.00 16.03 H new ATOM 0 HA SER B 92 -16.769 24.520 39.867 1.00 15.39 H new ATOM 0 HB2 SER B 92 -16.616 21.781 39.200 1.00 15.13 H new ATOM 0 HB3 SER B 92 -17.756 22.366 40.088 1.00 15.13 H new ATOM 0 HG SER B 92 -18.673 22.808 38.316 1.00 15.84 H new ATOM 2038 N LYS B 93 -14.483 24.113 41.335 1.00 15.46 N ATOM 2039 CA LYS B 93 -13.663 24.004 42.540 1.00 15.85 C ATOM 2040 C LYS B 93 -12.729 22.804 42.455 1.00 15.89 C ATOM 2041 O LYS B 93 -13.081 21.786 41.863 1.00 15.04 O ATOM 2042 CB LYS B 93 -14.508 24.010 43.801 1.00 15.54 C ATOM 2043 CG LYS B 93 -15.509 25.171 43.786 1.00 16.28 C ATOM 2044 CD LYS B 93 -15.352 26.092 44.972 1.00 16.99 C ATOM 2045 CE LYS B 93 -15.995 27.446 44.715 1.00 16.63 C ATOM 2046 NZ LYS B 93 -17.454 27.407 44.593 1.00 15.31 N ATOM 0 H LYS B 93 -14.170 24.681 40.770 1.00 15.46 H new ATOM 0 HA LYS B 93 -13.102 24.793 42.595 1.00 15.85 H new ATOM 0 HB2 LYS B 93 -14.984 23.169 43.879 1.00 15.54 H new ATOM 0 HB3 LYS B 93 -13.933 24.084 44.579 1.00 15.54 H new ATOM 0 HG2 LYS B 93 -15.395 25.681 42.968 1.00 16.28 H new ATOM 0 HG3 LYS B 93 -16.411 24.815 43.775 1.00 16.28 H new ATOM 0 HD2 LYS B 93 -15.755 25.685 45.755 1.00 16.99 H new ATOM 0 HD3 LYS B 93 -14.410 26.212 45.168 1.00 16.99 H new ATOM 0 HE2 LYS B 93 -15.757 28.048 45.438 1.00 16.63 H new ATOM 0 HE3 LYS B 93 -15.623 27.820 43.901 1.00 16.63 H new ATOM 0 HZ1 LYS B 93 -17.762 28.229 44.444 1.00 15.31 H new ATOM 0 HZ2 LYS B 93 -17.681 26.878 43.914 1.00 15.31 H new ATOM 0 HZ3 LYS B 93 -17.807 27.090 45.346 1.00 15.31 H new ATOM 2047 N PRO B 94 -11.528 22.964 43.002 1.00 16.41 N ATOM 2048 CA PRO B 94 -10.496 21.936 42.988 1.00 17.13 C ATOM 2049 C PRO B 94 -10.735 20.755 43.874 1.00 17.89 C ATOM 2050 O PRO B 94 -11.472 20.803 44.876 1.00 18.08 O ATOM 2051 CB PRO B 94 -9.291 22.661 43.532 1.00 17.49 C ATOM 2052 CG PRO B 94 -9.597 24.067 43.322 1.00 18.36 C ATOM 2053 CD PRO B 94 -11.042 24.188 43.637 1.00 16.89 C ATOM 0 HA PRO B 94 -10.432 21.567 42.093 1.00 17.13 H new ATOM 0 HB2 PRO B 94 -9.153 22.465 44.472 1.00 17.49 H new ATOM 0 HB3 PRO B 94 -8.481 22.401 43.066 1.00 17.49 H new ATOM 0 HG2 PRO B 94 -9.062 24.634 43.899 1.00 18.36 H new ATOM 0 HG3 PRO B 94 -9.412 24.336 42.409 1.00 18.36 H new ATOM 0 HD2 PRO B 94 -11.216 24.208 44.591 1.00 16.89 H new ATOM 0 HD3 PRO B 94 -11.441 24.988 43.260 1.00 16.89 H new ATOM 2054 N VAL B 95 -10.090 19.670 43.480 1.00 18.25 N ATOM 2055 CA VAL B 95 -10.135 18.451 44.249 1.00 18.93 C ATOM 2056 C VAL B 95 -8.687 18.227 44.551 1.00 19.36 C ATOM 2057 O VAL B 95 -7.816 18.660 43.783 1.00 18.97 O ATOM 2058 CB VAL B 95 -10.649 17.245 43.468 1.00 19.04 C ATOM 2059 CG1 VAL B 95 -9.609 16.773 42.405 1.00 19.09 C ATOM 2060 CG2 VAL B 95 -10.951 16.127 44.400 1.00 18.90 C ATOM 0 H VAL B 95 -9.618 19.623 42.763 1.00 18.25 H new ATOM 0 HA VAL B 95 -10.732 18.536 45.009 1.00 18.93 H new ATOM 0 HB VAL B 95 -11.458 17.512 43.005 1.00 19.04 H new ATOM 0 HG11 VAL B 95 -9.961 16.007 41.925 1.00 19.09 H new ATOM 0 HG12 VAL B 95 -9.435 17.494 41.780 1.00 19.09 H new ATOM 0 HG13 VAL B 95 -8.783 16.524 42.848 1.00 19.09 H new ATOM 0 HG21 VAL B 95 -11.277 15.365 43.896 1.00 18.90 H new ATOM 0 HG22 VAL B 95 -10.145 15.877 44.878 1.00 18.90 H new ATOM 0 HG23 VAL B 95 -11.629 16.408 45.034 1.00 18.90 H new ATOM 2061 N VAL B 96 -8.420 17.557 45.663 1.00 19.52 N ATOM 2062 CA VAL B 96 -7.055 17.288 46.026 1.00 19.68 C ATOM 2063 C VAL B 96 -6.963 15.829 46.359 1.00 20.25 C ATOM 2064 O VAL B 96 -7.882 15.287 46.986 1.00 20.05 O ATOM 2065 CB VAL B 96 -6.626 18.103 47.238 1.00 19.01 C ATOM 2066 CG1 VAL B 96 -5.339 17.596 47.767 1.00 19.38 C ATOM 2067 CG2 VAL B 96 -6.460 19.500 46.854 1.00 19.48 C ATOM 0 H VAL B 96 -9.012 17.256 46.210 1.00 19.52 H new ATOM 0 HA VAL B 96 -6.472 17.529 45.289 1.00 19.68 H new ATOM 0 HB VAL B 96 -7.309 18.025 47.922 1.00 19.01 H new ATOM 0 HG11 VAL B 96 -5.076 18.122 48.538 1.00 19.38 H new ATOM 0 HG12 VAL B 96 -5.440 16.668 48.029 1.00 19.38 H new ATOM 0 HG13 VAL B 96 -4.657 17.666 47.081 1.00 19.38 H new ATOM 0 HG21 VAL B 96 -6.187 20.018 47.627 1.00 19.48 H new ATOM 0 HG22 VAL B 96 -5.782 19.568 46.164 1.00 19.48 H new ATOM 0 HG23 VAL B 96 -7.301 19.845 46.515 1.00 19.48 H new ATOM 2068 N LEU B 97 -5.852 15.220 45.943 1.00 20.55 N ATOM 2069 CA LEU B 97 -5.567 13.833 46.206 1.00 21.31 C ATOM 2070 C LEU B 97 -4.122 13.661 46.743 1.00 22.33 C ATOM 2071 O LEU B 97 -3.131 13.766 46.008 1.00 21.88 O ATOM 2072 CB LEU B 97 -5.754 13.029 44.915 1.00 21.44 C ATOM 2073 CG LEU B 97 -7.133 12.512 44.499 1.00 20.66 C ATOM 2074 CD1 LEU B 97 -8.079 13.599 44.087 1.00 21.21 C ATOM 2075 CD2 LEU B 97 -6.937 11.576 43.335 1.00 21.15 C ATOM 0 H LEU B 97 -5.238 15.619 45.492 1.00 20.55 H new ATOM 0 HA LEU B 97 -6.178 13.506 46.884 1.00 21.31 H new ATOM 0 HB2 LEU B 97 -5.426 13.580 44.187 1.00 21.44 H new ATOM 0 HB3 LEU B 97 -5.168 12.258 44.973 1.00 21.44 H new ATOM 0 HG LEU B 97 -7.530 12.074 45.268 1.00 20.66 H new ATOM 0 HD11 LEU B 97 -8.931 13.209 43.836 1.00 21.21 H new ATOM 0 HD12 LEU B 97 -8.210 14.212 44.827 1.00 21.21 H new ATOM 0 HD13 LEU B 97 -7.709 14.081 43.331 1.00 21.21 H new ATOM 0 HD21 LEU B 97 -7.797 11.231 43.048 1.00 21.15 H new ATOM 0 HD22 LEU B 97 -6.520 12.055 42.601 1.00 21.15 H new ATOM 0 HD23 LEU B 97 -6.367 10.839 43.605 1.00 21.15 H new ATOM 2076 N ARG B 98 -3.987 13.374 48.028 1.00 23.48 N ATOM 2077 CA ARG B 98 -2.653 13.191 48.594 1.00 24.29 C ATOM 2078 C ARG B 98 -2.278 11.715 48.634 1.00 24.24 C ATOM 2079 O ARG B 98 -3.143 10.842 48.562 1.00 24.43 O ATOM 2080 CB ARG B 98 -2.610 13.769 49.999 1.00 24.66 C ATOM 2081 CG ARG B 98 -1.223 14.018 50.539 1.00 27.61 C ATOM 2082 CD ARG B 98 -1.216 14.754 51.877 1.00 31.02 C ATOM 2083 NE ARG B 98 -0.055 15.626 52.070 1.00 33.46 N ATOM 2084 CZ ARG B 98 0.878 15.424 52.984 1.00 36.18 C ATOM 2085 NH1 ARG B 98 0.822 14.367 53.792 1.00 37.79 N ATOM 2086 NH2 ARG B 98 1.886 16.268 53.087 1.00 37.93 N ATOM 0 H ARG B 98 -4.638 13.282 48.583 1.00 23.48 H new ATOM 0 HA ARG B 98 -2.014 13.655 48.031 1.00 24.29 H new ATOM 0 HB2 ARG B 98 -3.101 14.605 50.006 1.00 24.66 H new ATOM 0 HB3 ARG B 98 -3.073 13.163 50.599 1.00 24.66 H new ATOM 0 HG2 ARG B 98 -0.766 13.169 50.642 1.00 27.61 H new ATOM 0 HG3 ARG B 98 -0.719 14.534 49.891 1.00 27.61 H new ATOM 0 HD2 ARG B 98 -2.024 15.286 51.947 1.00 31.02 H new ATOM 0 HD3 ARG B 98 -1.242 14.102 52.595 1.00 31.02 H new ATOM 0 HE ARG B 98 0.024 16.312 51.557 1.00 33.46 H new ATOM 0 HH11 ARG B 98 0.174 13.806 53.722 1.00 37.79 H new ATOM 0 HH12 ARG B 98 1.434 14.245 54.383 1.00 37.79 H new ATOM 0 HH21 ARG B 98 1.934 16.946 52.561 1.00 37.93 H new ATOM 0 HH22 ARG B 98 2.495 16.140 53.680 1.00 37.93 H new ATOM 2087 N SER B 99 -0.983 11.441 48.734 1.00 24.37 N ATOM 2088 CA SER B 99 -0.479 10.069 48.823 1.00 24.29 C ATOM 2089 C SER B 99 0.083 9.861 50.218 1.00 24.44 C ATOM 2090 O SER B 99 0.220 10.806 50.973 1.00 25.72 O ATOM 2091 CB SER B 99 0.632 9.822 47.824 1.00 23.73 C ATOM 2092 OG SER B 99 1.859 10.062 48.467 1.00 23.65 O ATOM 0 H SER B 99 -0.369 12.043 48.752 1.00 24.37 H new ATOM 0 HA SER B 99 -1.208 9.458 48.633 1.00 24.29 H new ATOM 0 HB2 SER B 99 0.595 8.910 47.495 1.00 23.73 H new ATOM 0 HB3 SER B 99 0.532 10.406 47.056 1.00 23.73 H new ATOM 0 HG SER B 99 2.489 9.929 47.928 1.00 23.65 H new ATOM 2093 N THR B 100 0.436 8.631 50.552 1.00 24.22 N ATOM 2094 CA THR B 100 0.927 8.305 51.886 1.00 23.58 C ATOM 2095 C THR B 100 2.336 7.833 51.833 1.00 23.11 C ATOM 2096 O THR B 100 2.848 7.371 52.833 1.00 22.68 O ATOM 2097 CB THR B 100 0.129 7.133 52.466 1.00 23.87 C ATOM 2098 OG1 THR B 100 0.414 5.950 51.703 1.00 22.47 O ATOM 2099 CG2 THR B 100 -1.381 7.352 52.317 1.00 23.65 C ATOM 0 H THR B 100 0.399 7.960 50.015 1.00 24.22 H new ATOM 0 HA THR B 100 0.843 9.109 52.421 1.00 23.58 H new ATOM 0 HB THR B 100 0.376 7.055 53.401 1.00 23.87 H new ATOM 0 HG1 THR B 100 0.200 6.076 50.901 1.00 22.47 H new ATOM 0 HG21 THR B 100 -1.857 6.595 52.693 1.00 23.65 H new ATOM 0 HG22 THR B 100 -1.639 8.161 52.787 1.00 23.65 H new ATOM 0 HG23 THR B 100 -1.604 7.439 51.377 1.00 23.65 H new ATOM 2100 N VAL B 101 2.935 7.894 50.654 1.00 22.85 N ATOM 2101 CA VAL B 101 4.286 7.423 50.453 1.00 23.08 C ATOM 2102 C VAL B 101 5.287 8.540 50.602 1.00 23.28 C ATOM 2103 O VAL B 101 5.382 9.368 49.727 1.00 23.71 O ATOM 2104 CB VAL B 101 4.451 6.854 49.042 1.00 22.97 C ATOM 2105 CG1 VAL B 101 5.816 6.283 48.872 1.00 23.53 C ATOM 2106 CG2 VAL B 101 3.438 5.780 48.785 1.00 23.62 C ATOM 0 H VAL B 101 2.564 8.212 49.946 1.00 22.85 H new ATOM 0 HA VAL B 101 4.446 6.741 51.124 1.00 23.08 H new ATOM 0 HB VAL B 101 4.319 7.578 48.410 1.00 22.97 H new ATOM 0 HG11 VAL B 101 5.908 5.926 47.975 1.00 23.53 H new ATOM 0 HG12 VAL B 101 6.478 6.978 49.012 1.00 23.53 H new ATOM 0 HG13 VAL B 101 5.952 5.572 49.518 1.00 23.53 H new ATOM 0 HG21 VAL B 101 3.557 5.431 47.888 1.00 23.62 H new ATOM 0 HG22 VAL B 101 3.555 5.064 49.428 1.00 23.62 H new ATOM 0 HG23 VAL B 101 2.545 6.149 48.872 1.00 23.62 H new ATOM 2107 N PRO B 102 6.047 8.563 51.689 1.00 23.73 N ATOM 2108 CA PRO B 102 7.085 9.578 51.871 1.00 24.04 C ATOM 2109 C PRO B 102 7.928 9.665 50.603 1.00 24.48 C ATOM 2110 O PRO B 102 8.185 8.631 49.979 1.00 24.69 O ATOM 2111 CB PRO B 102 7.910 9.015 53.021 1.00 23.97 C ATOM 2112 CG PRO B 102 6.919 8.255 53.814 1.00 23.88 C ATOM 2113 CD PRO B 102 6.027 7.600 52.803 1.00 23.78 C ATOM 0 HA PRO B 102 6.744 10.469 52.049 1.00 24.04 H new ATOM 0 HB2 PRO B 102 8.626 8.444 52.701 1.00 23.97 H new ATOM 0 HB3 PRO B 102 8.322 9.720 53.544 1.00 23.97 H new ATOM 0 HG2 PRO B 102 7.353 7.596 54.378 1.00 23.88 H new ATOM 0 HG3 PRO B 102 6.414 8.841 54.399 1.00 23.88 H new ATOM 0 HD2 PRO B 102 6.363 6.730 52.535 1.00 23.78 H new ATOM 0 HD3 PRO B 102 5.130 7.464 53.147 1.00 23.78 H new ATOM 2114 N ILE B 103 8.353 10.864 50.230 1.00 24.73 N ATOM 2115 CA ILE B 103 9.070 11.056 48.972 1.00 24.94 C ATOM 2116 C ILE B 103 10.515 11.570 49.110 1.00 25.08 C ATOM 2117 O ILE B 103 11.369 11.233 48.287 1.00 25.09 O ATOM 2118 CB ILE B 103 8.237 11.997 48.043 1.00 25.01 C ATOM 2119 CG1 ILE B 103 8.916 12.170 46.690 1.00 24.96 C ATOM 2120 CG2 ILE B 103 8.008 13.348 48.687 1.00 25.27 C ATOM 2121 CD1 ILE B 103 8.904 10.908 45.846 1.00 25.54 C ATOM 0 H ILE B 103 8.238 11.582 50.690 1.00 24.73 H new ATOM 0 HA ILE B 103 9.164 10.173 48.581 1.00 24.94 H new ATOM 0 HB ILE B 103 7.374 11.576 47.906 1.00 25.01 H new ATOM 0 HG12 ILE B 103 8.474 12.882 46.202 1.00 24.96 H new ATOM 0 HG13 ILE B 103 9.834 12.450 46.829 1.00 24.96 H new ATOM 0 HG21 ILE B 103 7.490 13.908 48.088 1.00 25.27 H new ATOM 0 HG22 ILE B 103 7.525 13.232 49.520 1.00 25.27 H new ATOM 0 HG23 ILE B 103 8.863 13.771 48.866 1.00 25.27 H new ATOM 0 HD11 ILE B 103 9.348 11.079 45.001 1.00 25.54 H new ATOM 0 HD12 ILE B 103 9.369 10.199 46.317 1.00 25.54 H new ATOM 0 HD13 ILE B 103 7.987 10.638 45.680 1.00 25.54 H new ATOM 2122 N ASN B 104 10.807 12.387 50.127 1.00 25.23 N ATOM 2123 CA ASN B 104 12.165 12.908 50.276 1.00 25.13 C ATOM 2124 C ASN B 104 13.108 11.803 50.701 1.00 25.37 C ATOM 2125 O ASN B 104 13.807 11.942 51.703 1.00 26.13 O ATOM 2126 CB ASN B 104 12.254 14.085 51.251 1.00 24.53 C ATOM 2127 CG ASN B 104 11.766 13.743 52.593 1.00 23.94 C ATOM 2128 OD1 ASN B 104 10.695 13.172 52.714 1.00 27.45 O ATOM 2129 ND2 ASN B 104 12.517 14.093 53.627 1.00 20.66 N ATOM 0 H ASN B 104 10.247 12.645 50.727 1.00 25.23 H new ATOM 0 HA ASN B 104 12.429 13.247 49.406 1.00 25.13 H new ATOM 0 HB2 ASN B 104 13.175 14.382 51.311 1.00 24.53 H new ATOM 0 HB3 ASN B 104 11.738 14.829 50.903 1.00 24.53 H new ATOM 0 HD21 ASN B 104 12.255 13.919 54.427 1.00 20.66 H new ATOM 0 HD22 ASN B 104 13.266 14.495 53.498 1.00 20.66 H new ATOM 2130 N THR B 105 13.153 10.726 49.913 1.00 25.29 N ATOM 2131 CA THR B 105 13.989 9.564 50.224 1.00 24.84 C ATOM 2132 C THR B 105 15.056 9.342 49.180 1.00 24.91 C ATOM 2133 O THR B 105 15.461 8.214 48.942 1.00 25.29 O ATOM 2134 CB THR B 105 13.144 8.319 50.262 1.00 24.55 C ATOM 2135 OG1 THR B 105 12.792 7.953 48.935 1.00 23.13 O ATOM 2136 CG2 THR B 105 11.817 8.591 50.882 1.00 26.11 C ATOM 0 H THR B 105 12.701 10.649 49.185 1.00 25.29 H new ATOM 0 HA THR B 105 14.404 9.741 51.083 1.00 24.84 H new ATOM 0 HB THR B 105 13.656 7.651 50.744 1.00 24.55 H new ATOM 0 HG1 THR B 105 12.321 7.257 48.951 1.00 23.13 H new ATOM 0 HG21 THR B 105 11.292 7.775 50.895 1.00 26.11 H new ATOM 0 HG22 THR B 105 11.943 8.908 51.790 1.00 26.11 H new ATOM 0 HG23 THR B 105 11.351 9.267 50.365 1.00 26.11 H new ATOM 2137 N ASN B 106 15.484 10.408 48.522 1.00 24.91 N ATOM 2138 CA ASN B 106 16.500 10.319 47.479 1.00 24.65 C ATOM 2139 C ASN B 106 16.504 9.002 46.668 1.00 24.18 C ATOM 2140 O ASN B 106 17.482 8.710 46.012 1.00 23.89 O ATOM 2141 CB ASN B 106 17.881 10.604 48.089 1.00 24.84 C ATOM 2142 CG ASN B 106 18.929 11.004 47.046 1.00 25.07 C ATOM 2143 OD1 ASN B 106 18.624 11.667 46.054 1.00 25.74 O ATOM 2144 ND2 ASN B 106 20.174 10.591 47.273 1.00 25.57 N ATOM 0 H ASN B 106 15.195 11.205 48.666 1.00 24.91 H new ATOM 0 HA ASN B 106 16.271 10.995 46.822 1.00 24.65 H new ATOM 0 HB2 ASN B 106 17.798 11.314 48.745 1.00 24.84 H new ATOM 0 HB3 ASN B 106 18.188 9.815 48.562 1.00 24.84 H new ATOM 0 HD21 ASN B 106 20.800 10.786 46.716 1.00 25.57 H new ATOM 0 HD22 ASN B 106 20.352 10.129 47.976 1.00 25.57 H new ATOM 2145 N HIS B 107 15.414 8.230 46.677 1.00 23.95 N ATOM 2146 CA HIS B 107 15.342 6.990 45.883 1.00 24.11 C ATOM 2147 C HIS B 107 14.371 7.114 44.715 1.00 23.35 C ATOM 2148 O HIS B 107 13.266 7.574 44.903 1.00 23.93 O ATOM 2149 CB HIS B 107 14.883 5.812 46.739 1.00 24.34 C ATOM 2150 CG HIS B 107 15.795 5.494 47.874 1.00 26.65 C ATOM 2151 ND1 HIS B 107 15.350 4.905 49.034 1.00 28.68 N ATOM 2152 CD2 HIS B 107 17.129 5.678 48.028 1.00 30.25 C ATOM 2153 CE1 HIS B 107 16.367 4.744 49.861 1.00 31.26 C ATOM 2154 NE2 HIS B 107 17.459 5.206 49.274 1.00 32.16 N ATOM 0 H HIS B 107 14.706 8.403 47.133 1.00 23.95 H new ATOM 0 HA HIS B 107 16.239 6.838 45.547 1.00 24.11 H new ATOM 0 HB2 HIS B 107 14.000 6.005 47.090 1.00 24.34 H new ATOM 0 HB3 HIS B 107 14.799 5.028 46.175 1.00 24.34 H new ATOM 0 HD2 HIS B 107 17.711 6.053 47.407 1.00 30.25 H new ATOM 0 HE1 HIS B 107 16.323 4.370 50.711 1.00 31.26 H new ATOM 0 HE2 HIS B 107 18.247 5.210 49.617 1.00 32.16 H new ATOM 2155 N TRP B 108 14.748 6.692 43.516 1.00 22.66 N ATOM 2156 CA TRP B 108 13.820 6.784 42.398 1.00 22.17 C ATOM 2157 C TRP B 108 12.464 6.190 42.797 1.00 21.71 C ATOM 2158 O TRP B 108 12.361 5.060 43.245 1.00 21.62 O ATOM 2159 CB TRP B 108 14.354 6.075 41.157 1.00 22.03 C ATOM 2160 CG TRP B 108 15.505 6.777 40.504 1.00 22.42 C ATOM 2161 CD1 TRP B 108 16.824 6.455 40.603 1.00 21.80 C ATOM 2162 CD2 TRP B 108 15.440 7.922 39.649 1.00 23.25 C ATOM 2163 NE1 TRP B 108 17.584 7.317 39.854 1.00 21.22 N ATOM 2164 CE2 TRP B 108 16.759 8.228 39.257 1.00 22.57 C ATOM 2165 CE3 TRP B 108 14.393 8.722 39.162 1.00 23.09 C ATOM 2166 CZ2 TRP B 108 17.064 9.300 38.426 1.00 23.16 C ATOM 2167 CZ3 TRP B 108 14.696 9.775 38.324 1.00 23.00 C ATOM 2168 CH2 TRP B 108 16.024 10.059 37.969 1.00 23.57 C ATOM 0 H TRP B 108 15.518 6.357 43.330 1.00 22.66 H new ATOM 0 HA TRP B 108 13.714 7.723 42.178 1.00 22.17 H new ATOM 0 HB2 TRP B 108 14.631 5.178 41.402 1.00 22.03 H new ATOM 0 HB3 TRP B 108 13.635 5.984 40.513 1.00 22.03 H new ATOM 0 HD1 TRP B 108 17.162 5.750 41.107 1.00 21.80 H new ATOM 0 HE1 TRP B 108 18.440 7.289 39.773 1.00 21.22 H new ATOM 0 HE3 TRP B 108 13.512 8.545 39.400 1.00 23.09 H new ATOM 0 HZ2 TRP B 108 17.943 9.493 38.190 1.00 23.16 H new ATOM 0 HZ3 TRP B 108 14.009 10.305 37.989 1.00 23.00 H new ATOM 0 HH2 TRP B 108 16.200 10.781 37.410 1.00 23.57 H new ATOM 2169 N THR B 109 11.416 6.973 42.651 1.00 20.97 N ATOM 2170 CA THR B 109 10.119 6.492 42.991 1.00 20.33 C ATOM 2171 C THR B 109 9.245 6.763 41.807 1.00 20.54 C ATOM 2172 O THR B 109 9.427 7.762 41.101 1.00 20.75 O ATOM 2173 CB THR B 109 9.590 7.233 44.208 1.00 20.25 C ATOM 2174 OG1 THR B 109 10.644 7.407 45.165 1.00 19.46 O ATOM 2175 CG2 THR B 109 8.527 6.405 44.930 1.00 19.85 C ATOM 0 H THR B 109 11.443 7.781 42.357 1.00 20.97 H new ATOM 0 HA THR B 109 10.139 5.546 43.206 1.00 20.33 H new ATOM 0 HB THR B 109 9.230 8.077 43.893 1.00 20.25 H new ATOM 0 HG1 THR B 109 11.332 7.690 44.776 1.00 19.46 H new ATOM 0 HG21 THR B 109 8.204 6.895 45.702 1.00 19.85 H new ATOM 0 HG22 THR B 109 7.788 6.229 44.326 1.00 19.85 H new ATOM 0 HG23 THR B 109 8.914 5.564 45.221 1.00 19.85 H new ATOM 2176 N HIS B 110 8.288 5.875 41.588 1.00 20.42 N ATOM 2177 CA HIS B 110 7.372 6.020 40.481 1.00 20.24 C ATOM 2178 C HIS B 110 6.165 6.867 40.879 1.00 19.64 C ATOM 2179 O HIS B 110 5.856 6.976 42.074 1.00 19.81 O ATOM 2180 CB HIS B 110 6.922 4.651 39.993 1.00 20.13 C ATOM 2181 CG HIS B 110 6.421 4.666 38.593 1.00 21.43 C ATOM 2182 ND1 HIS B 110 7.239 4.937 37.513 1.00 25.39 N ATOM 2183 CD2 HIS B 110 5.181 4.488 38.091 1.00 22.62 C ATOM 2184 CE1 HIS B 110 6.522 4.902 36.404 1.00 24.84 C ATOM 2185 NE2 HIS B 110 5.271 4.631 36.728 1.00 24.23 N ATOM 0 H HIS B 110 8.155 5.178 42.074 1.00 20.42 H new ATOM 0 HA HIS B 110 7.833 6.475 39.759 1.00 20.24 H new ATOM 0 HB2 HIS B 110 7.665 4.030 40.058 1.00 20.13 H new ATOM 0 HB3 HIS B 110 6.223 4.319 40.577 1.00 20.13 H new ATOM 0 HD1 HIS B 110 8.082 5.102 37.556 1.00 25.39 H new ATOM 0 HD2 HIS B 110 4.410 4.303 38.577 1.00 22.62 H new ATOM 0 HE1 HIS B 110 6.843 5.044 35.543 1.00 24.84 H new ATOM 0 HE2 HIS B 110 4.617 4.556 36.174 1.00 24.23 H new ATOM 2186 N ILE B 111 5.507 7.452 39.864 1.00 18.67 N ATOM 2187 CA ILE B 111 4.283 8.251 40.010 1.00 17.68 C ATOM 2188 C ILE B 111 3.503 8.073 38.727 1.00 16.91 C ATOM 2189 O ILE B 111 4.032 8.201 37.630 1.00 15.94 O ATOM 2190 CB ILE B 111 4.577 9.728 40.211 1.00 17.80 C ATOM 2191 CG1 ILE B 111 5.394 9.961 41.479 1.00 18.28 C ATOM 2192 CG2 ILE B 111 3.311 10.507 40.301 1.00 17.88 C ATOM 2193 CD1 ILE B 111 5.674 11.430 41.757 1.00 19.24 C ATOM 0 H ILE B 111 5.772 7.391 39.048 1.00 18.67 H new ATOM 0 HA ILE B 111 3.793 7.953 40.792 1.00 17.68 H new ATOM 0 HB ILE B 111 5.090 10.027 39.444 1.00 17.80 H new ATOM 0 HG12 ILE B 111 4.920 9.580 42.235 1.00 18.28 H new ATOM 0 HG13 ILE B 111 6.237 9.487 41.404 1.00 18.28 H new ATOM 0 HG21 ILE B 111 3.517 11.446 40.429 1.00 17.88 H new ATOM 0 HG22 ILE B 111 2.804 10.396 39.482 1.00 17.88 H new ATOM 0 HG23 ILE B 111 2.786 10.186 41.051 1.00 17.88 H new ATOM 0 HD11 ILE B 111 6.194 11.512 42.572 1.00 19.24 H new ATOM 0 HD12 ILE B 111 6.172 11.811 41.016 1.00 19.24 H new ATOM 0 HD13 ILE B 111 4.835 11.906 41.860 1.00 19.24 H new ATOM 2194 N LYS B 112 2.227 7.771 38.881 1.00 17.02 N ATOM 2195 CA LYS B 112 1.331 7.475 37.759 1.00 16.92 C ATOM 2196 C LYS B 112 -0.015 8.057 38.069 1.00 16.21 C ATOM 2197 O LYS B 112 -0.787 7.422 38.726 1.00 15.77 O ATOM 2198 CB LYS B 112 1.211 5.955 37.620 1.00 16.99 C ATOM 2199 CG LYS B 112 0.019 5.394 36.838 1.00 18.15 C ATOM 2200 CD LYS B 112 0.156 3.845 36.749 1.00 20.17 C ATOM 2201 CE LYS B 112 -1.020 3.144 36.093 1.00 20.20 C ATOM 2202 NZ LYS B 112 -2.313 3.290 36.801 1.00 21.71 N ATOM 0 H LYS B 112 1.843 7.729 39.649 1.00 17.02 H new ATOM 0 HA LYS B 112 1.673 7.852 36.933 1.00 16.92 H new ATOM 0 HB2 LYS B 112 2.022 5.631 37.198 1.00 16.99 H new ATOM 0 HB3 LYS B 112 1.185 5.576 38.513 1.00 16.99 H new ATOM 0 HG2 LYS B 112 -0.812 5.632 37.277 1.00 18.15 H new ATOM 0 HG3 LYS B 112 -0.010 5.780 35.948 1.00 18.15 H new ATOM 0 HD2 LYS B 112 0.962 3.631 36.254 1.00 20.17 H new ATOM 0 HD3 LYS B 112 0.271 3.490 37.644 1.00 20.17 H new ATOM 0 HE2 LYS B 112 -1.121 3.486 35.191 1.00 20.20 H new ATOM 0 HE3 LYS B 112 -0.814 2.199 36.017 1.00 20.20 H new ATOM 0 HZ1 LYS B 112 -2.878 2.662 36.521 1.00 21.71 H new ATOM 0 HZ2 LYS B 112 -2.183 3.203 37.677 1.00 21.71 H new ATOM 0 HZ3 LYS B 112 -2.656 4.093 36.631 1.00 21.71 H new ATOM 2203 N ALA B 113 -0.285 9.275 37.629 1.00 16.23 N ATOM 2204 CA ALA B 113 -1.557 9.901 37.929 1.00 16.75 C ATOM 2205 C ALA B 113 -2.468 10.044 36.714 1.00 17.42 C ATOM 2206 O ALA B 113 -2.056 9.912 35.575 1.00 17.42 O ATOM 2207 CB ALA B 113 -1.324 11.232 38.567 1.00 16.62 C ATOM 0 H ALA B 113 0.252 9.753 37.158 1.00 16.23 H new ATOM 0 HA ALA B 113 -2.022 9.312 38.544 1.00 16.75 H new ATOM 0 HB1 ALA B 113 -2.177 11.649 38.767 1.00 16.62 H new ATOM 0 HB2 ALA B 113 -0.822 11.114 39.388 1.00 16.62 H new ATOM 0 HB3 ALA B 113 -0.822 11.798 37.960 1.00 16.62 H new ATOM 2208 N TYR B 114 -3.736 10.286 36.963 1.00 18.72 N ATOM 2209 CA TYR B 114 -4.672 10.422 35.868 1.00 20.15 C ATOM 2210 C TYR B 114 -6.082 10.742 36.322 1.00 20.25 C ATOM 2211 O TYR B 114 -6.489 10.373 37.407 1.00 20.55 O ATOM 2212 CB TYR B 114 -4.698 9.145 35.017 1.00 20.65 C ATOM 2213 CG TYR B 114 -5.204 7.926 35.739 1.00 22.91 C ATOM 2214 CD1 TYR B 114 -4.320 7.016 36.333 1.00 25.54 C ATOM 2215 CD2 TYR B 114 -6.557 7.666 35.831 1.00 24.88 C ATOM 2216 CE1 TYR B 114 -4.787 5.884 36.996 1.00 25.46 C ATOM 2217 CE2 TYR B 114 -7.029 6.536 36.486 1.00 25.10 C ATOM 2218 CZ TYR B 114 -6.147 5.654 37.060 1.00 25.49 C ATOM 2219 OH TYR B 114 -6.640 4.545 37.711 1.00 28.31 O ATOM 0 H TYR B 114 -4.075 10.375 37.749 1.00 18.72 H new ATOM 0 HA TYR B 114 -4.356 11.173 35.341 1.00 20.15 H new ATOM 0 HB2 TYR B 114 -5.255 9.300 34.238 1.00 20.65 H new ATOM 0 HB3 TYR B 114 -3.801 8.967 34.694 1.00 20.65 H new ATOM 0 HD1 TYR B 114 -3.404 7.171 36.284 1.00 25.54 H new ATOM 0 HD2 TYR B 114 -7.163 8.258 35.448 1.00 24.88 H new ATOM 0 HE1 TYR B 114 -4.190 5.290 37.391 1.00 25.46 H new ATOM 0 HE2 TYR B 114 -7.944 6.376 36.536 1.00 25.10 H new ATOM 0 HH TYR B 114 -7.479 4.543 37.666 1.00 28.31 H new ATOM 2220 N ARG B 115 -6.820 11.418 35.457 1.00 20.80 N ATOM 2221 CA ARG B 115 -8.203 11.735 35.708 1.00 21.72 C ATOM 2222 C ARG B 115 -9.055 11.413 34.495 1.00 21.76 C ATOM 2223 O ARG B 115 -8.575 11.412 33.358 1.00 21.27 O ATOM 2224 CB ARG B 115 -8.348 13.213 36.035 1.00 22.53 C ATOM 2225 CG ARG B 115 -9.600 13.870 35.453 1.00 23.92 C ATOM 2226 CD ARG B 115 -9.597 15.365 35.594 1.00 25.42 C ATOM 2227 NE ARG B 115 -10.185 16.014 34.434 1.00 27.58 N ATOM 2228 CZ ARG B 115 -9.603 16.108 33.256 1.00 28.23 C ATOM 2229 NH1 ARG B 115 -10.217 16.719 32.254 1.00 30.62 N ATOM 2230 NH2 ARG B 115 -8.423 15.580 33.062 1.00 27.68 N ATOM 0 H ARG B 115 -6.525 11.706 34.702 1.00 20.80 H new ATOM 0 HA ARG B 115 -8.503 11.200 36.460 1.00 21.72 H new ATOM 0 HB2 ARG B 115 -8.359 13.320 36.999 1.00 22.53 H new ATOM 0 HB3 ARG B 115 -7.566 13.684 35.706 1.00 22.53 H new ATOM 0 HG2 ARG B 115 -9.674 13.639 34.514 1.00 23.92 H new ATOM 0 HG3 ARG B 115 -10.384 13.510 35.896 1.00 23.92 H new ATOM 0 HD2 ARG B 115 -10.090 15.616 36.391 1.00 25.42 H new ATOM 0 HD3 ARG B 115 -8.687 15.677 35.713 1.00 25.42 H new ATOM 0 HE ARG B 115 -10.967 16.361 34.523 1.00 27.58 H new ATOM 0 HH11 ARG B 115 -10.999 17.057 32.371 1.00 30.62 H new ATOM 0 HH12 ARG B 115 -9.833 16.778 31.487 1.00 30.62 H new ATOM 0 HH21 ARG B 115 -8.025 15.170 33.704 1.00 27.68 H new ATOM 0 HH22 ARG B 115 -8.045 15.643 32.292 1.00 27.68 H new ATOM 2231 N VAL B 116 -10.332 11.154 34.752 1.00 21.88 N ATOM 2232 CA VAL B 116 -11.297 10.899 33.694 1.00 22.23 C ATOM 2233 C VAL B 116 -12.488 11.722 34.074 1.00 22.41 C ATOM 2234 O VAL B 116 -13.109 11.482 35.092 1.00 22.39 O ATOM 2235 CB VAL B 116 -11.673 9.415 33.577 1.00 22.28 C ATOM 2236 CG1 VAL B 116 -12.451 9.162 32.313 1.00 21.79 C ATOM 2237 CG2 VAL B 116 -10.429 8.557 33.575 1.00 22.93 C ATOM 0 H VAL B 116 -10.662 11.121 35.545 1.00 21.88 H new ATOM 0 HA VAL B 116 -10.935 11.131 32.825 1.00 22.23 H new ATOM 0 HB VAL B 116 -12.224 9.184 34.341 1.00 22.28 H new ATOM 0 HG11 VAL B 116 -12.679 8.221 32.256 1.00 21.79 H new ATOM 0 HG12 VAL B 116 -13.264 9.692 32.321 1.00 21.79 H new ATOM 0 HG13 VAL B 116 -11.912 9.410 31.546 1.00 21.79 H new ATOM 0 HG21 VAL B 116 -10.680 7.623 33.501 1.00 22.93 H new ATOM 0 HG22 VAL B 116 -9.868 8.802 32.822 1.00 22.93 H new ATOM 0 HG23 VAL B 116 -9.939 8.695 34.401 1.00 22.93 H new ATOM 2238 N GLN B 117 -12.764 12.748 33.295 1.00 22.99 N ATOM 2239 CA GLN B 117 -13.828 13.653 33.648 1.00 23.70 C ATOM 2240 C GLN B 117 -13.588 14.089 35.095 1.00 23.66 C ATOM 2241 O GLN B 117 -12.551 14.705 35.384 1.00 23.51 O ATOM 2242 CB GLN B 117 -15.197 12.994 33.463 1.00 24.17 C ATOM 2243 CG GLN B 117 -15.462 12.536 32.020 1.00 24.90 C ATOM 2244 CD GLN B 117 -16.950 12.387 31.702 1.00 24.30 C ATOM 2245 OE1 GLN B 117 -17.787 12.414 32.731 1.00 24.61 O flip ATOM 2246 NE2 GLN B 117 -17.326 12.242 30.535 1.00 22.05 N flip ATOM 0 H GLN B 117 -12.351 12.935 32.565 1.00 22.99 H new ATOM 0 HA GLN B 117 -13.829 14.429 33.066 1.00 23.70 H new ATOM 0 HB2 GLN B 117 -15.263 12.229 34.056 1.00 24.17 H new ATOM 0 HB3 GLN B 117 -15.889 13.620 33.729 1.00 24.17 H new ATOM 0 HG2 GLN B 117 -15.068 13.175 31.406 1.00 24.90 H new ATOM 0 HG3 GLN B 117 -15.018 11.687 31.869 1.00 24.90 H new ATOM 0 HE21 GLN B 117 -16.750 12.230 29.896 1.00 22.05 H new ATOM 0 HE22 GLN B 117 -18.163 12.153 30.361 1.00 22.05 H new ATOM 2247 N ARG B 118 -14.517 13.749 35.990 1.00 23.51 N ATOM 2248 CA ARG B 118 -14.448 14.146 37.402 1.00 23.65 C ATOM 2249 C ARG B 118 -13.593 13.216 38.255 1.00 23.73 C ATOM 2250 O ARG B 118 -12.928 13.660 39.186 1.00 23.75 O ATOM 2251 CB ARG B 118 -15.852 14.215 38.019 1.00 23.69 C ATOM 2252 CG ARG B 118 -16.611 15.495 37.763 1.00 23.29 C ATOM 2253 CD ARG B 118 -18.134 15.371 37.901 1.00 21.74 C ATOM 2254 NE ARG B 118 -18.621 15.094 39.252 1.00 20.55 N ATOM 2255 CZ ARG B 118 -19.302 13.998 39.596 1.00 20.25 C ATOM 2256 NH1 ARG B 118 -19.549 13.049 38.705 1.00 21.52 N ATOM 2257 NH2 ARG B 118 -19.732 13.830 40.834 1.00 18.89 N ATOM 0 H ARG B 118 -15.210 13.279 35.795 1.00 23.51 H new ATOM 0 HA ARG B 118 -14.029 15.021 37.402 1.00 23.65 H new ATOM 0 HB2 ARG B 118 -16.375 13.473 37.678 1.00 23.69 H new ATOM 0 HB3 ARG B 118 -15.774 14.090 38.978 1.00 23.69 H new ATOM 0 HG2 ARG B 118 -16.296 16.173 38.381 1.00 23.29 H new ATOM 0 HG3 ARG B 118 -16.403 15.807 36.868 1.00 23.29 H new ATOM 0 HD2 ARG B 118 -18.540 16.195 37.590 1.00 21.74 H new ATOM 0 HD3 ARG B 118 -18.440 14.664 37.312 1.00 21.74 H new ATOM 0 HE ARG B 118 -18.458 15.675 39.865 1.00 20.55 H new ATOM 0 HH11 ARG B 118 -19.270 13.135 37.896 1.00 21.52 H new ATOM 0 HH12 ARG B 118 -19.988 12.347 38.936 1.00 21.52 H new ATOM 0 HH21 ARG B 118 -19.574 14.430 41.429 1.00 18.89 H new ATOM 0 HH22 ARG B 118 -20.170 13.120 41.045 1.00 18.89 H new ATOM 2258 N GLU B 119 -13.635 11.923 37.966 1.00 23.96 N ATOM 2259 CA GLU B 119 -12.847 10.968 38.725 1.00 24.28 C ATOM 2260 C GLU B 119 -11.371 11.275 38.558 1.00 23.98 C ATOM 2261 O GLU B 119 -10.991 12.140 37.757 1.00 25.05 O ATOM 2262 CB GLU B 119 -13.108 9.550 38.251 1.00 24.61 C ATOM 2263 CG GLU B 119 -14.487 8.995 38.573 1.00 26.01 C ATOM 2264 CD GLU B 119 -14.426 7.504 38.867 1.00 28.02 C ATOM 2265 OE1 GLU B 119 -13.805 7.126 39.890 1.00 29.62 O ATOM 2266 OE2 GLU B 119 -14.966 6.711 38.069 1.00 29.20 O ATOM 0 H GLU B 119 -14.111 11.580 37.337 1.00 23.96 H new ATOM 0 HA GLU B 119 -13.102 11.041 39.658 1.00 24.28 H new ATOM 0 HB2 GLU B 119 -12.980 9.518 37.290 1.00 24.61 H new ATOM 0 HB3 GLU B 119 -12.441 8.966 38.645 1.00 24.61 H new ATOM 0 HG2 GLU B 119 -14.856 9.463 39.338 1.00 26.01 H new ATOM 0 HG3 GLU B 119 -15.085 9.156 37.827 1.00 26.01 H new ATOM 2267 N GLY B 120 -10.533 10.579 39.314 1.00 22.85 N ATOM 2268 CA GLY B 120 -9.106 10.762 39.203 1.00 21.94 C ATOM 2269 C GLY B 120 -8.414 9.790 40.118 1.00 21.25 C ATOM 2270 O GLY B 120 -9.053 9.164 40.966 1.00 20.79 O ATOM 0 H GLY B 120 -10.777 9.996 39.897 1.00 22.85 H new ATOM 0 HA2 GLY B 120 -8.821 10.621 38.287 1.00 21.94 H new ATOM 0 HA3 GLY B 120 -8.866 11.672 39.438 1.00 21.94 H new ATOM 2271 N SER B 121 -7.108 9.674 39.947 1.00 20.54 N ATOM 2272 CA SER B 121 -6.293 8.810 40.766 1.00 20.26 C ATOM 2273 C SER B 121 -4.881 9.369 40.942 1.00 20.28 C ATOM 2274 O SER B 121 -4.400 10.222 40.180 1.00 20.12 O ATOM 2275 CB SER B 121 -6.158 7.448 40.096 1.00 20.55 C ATOM 2276 OG SER B 121 -4.785 7.171 39.792 1.00 20.46 O ATOM 0 H SER B 121 -6.668 10.101 39.344 1.00 20.54 H new ATOM 0 HA SER B 121 -6.727 8.741 41.631 1.00 20.26 H new ATOM 0 HB2 SER B 121 -6.511 6.758 40.679 1.00 20.55 H new ATOM 0 HB3 SER B 121 -6.685 7.428 39.282 1.00 20.55 H new ATOM 0 HG SER B 121 -4.732 6.815 39.033 1.00 20.46 H new ATOM 2277 N LEU B 122 -4.215 8.855 41.964 1.00 19.96 N ATOM 2278 CA LEU B 122 -2.845 9.192 42.264 1.00 18.92 C ATOM 2279 C LEU B 122 -2.318 7.936 42.890 1.00 18.44 C ATOM 2280 O LEU B 122 -3.036 7.289 43.627 1.00 17.53 O ATOM 2281 CB LEU B 122 -2.780 10.331 43.270 1.00 18.84 C ATOM 2282 CG LEU B 122 -1.367 10.821 43.558 1.00 18.60 C ATOM 2283 CD1 LEU B 122 -0.703 11.277 42.287 1.00 18.70 C ATOM 2284 CD2 LEU B 122 -1.369 11.943 44.558 1.00 18.95 C ATOM 0 H LEU B 122 -4.559 8.288 42.512 1.00 19.96 H new ATOM 0 HA LEU B 122 -2.347 9.481 41.483 1.00 18.92 H new ATOM 0 HB2 LEU B 122 -3.309 11.074 42.939 1.00 18.84 H new ATOM 0 HB3 LEU B 122 -3.188 10.040 44.101 1.00 18.84 H new ATOM 0 HG LEU B 122 -0.869 10.078 43.934 1.00 18.60 H new ATOM 0 HD11 LEU B 122 0.195 11.586 42.484 1.00 18.70 H new ATOM 0 HD12 LEU B 122 -0.660 10.537 41.661 1.00 18.70 H new ATOM 0 HD13 LEU B 122 -1.216 12.002 41.896 1.00 18.70 H new ATOM 0 HD21 LEU B 122 -0.458 12.233 44.721 1.00 18.95 H new ATOM 0 HD22 LEU B 122 -1.887 12.686 44.210 1.00 18.95 H new ATOM 0 HD23 LEU B 122 -1.763 11.635 45.389 1.00 18.95 H new ATOM 2285 N GLN B 123 -1.073 7.584 42.590 1.00 18.55 N ATOM 2286 CA GLN B 123 -0.448 6.399 43.160 1.00 18.40 C ATOM 2287 C GLN B 123 1.029 6.530 43.104 1.00 18.26 C ATOM 2288 O GLN B 123 1.586 6.539 42.032 1.00 18.76 O ATOM 2289 CB GLN B 123 -0.844 5.152 42.370 1.00 18.94 C ATOM 2290 CG GLN B 123 0.007 3.926 42.710 1.00 19.64 C ATOM 2291 CD GLN B 123 -0.413 2.656 42.001 1.00 19.89 C ATOM 2292 OE1 GLN B 123 -1.436 2.728 41.151 1.00 21.35 O flip ATOM 2293 NE2 GLN B 123 0.197 1.619 42.224 1.00 19.21 N flip ATOM 0 H GLN B 123 -0.568 8.025 42.051 1.00 18.55 H new ATOM 0 HA GLN B 123 -0.746 6.315 44.079 1.00 18.40 H new ATOM 0 HB2 GLN B 123 -1.777 4.949 42.544 1.00 18.94 H new ATOM 0 HB3 GLN B 123 -0.766 5.339 41.421 1.00 18.94 H new ATOM 0 HG2 GLN B 123 0.932 4.116 42.488 1.00 19.64 H new ATOM 0 HG3 GLN B 123 -0.030 3.776 43.668 1.00 19.64 H new ATOM 0 HE21 GLN B 123 0.852 1.617 42.781 1.00 19.21 H new ATOM 0 HE22 GLN B 123 -0.030 0.892 41.824 1.00 19.21 H new ATOM 2294 N VAL B 124 1.684 6.643 44.245 1.00 18.75 N ATOM 2295 CA VAL B 124 3.151 6.754 44.268 1.00 19.19 C ATOM 2296 C VAL B 124 3.711 5.457 44.803 1.00 19.58 C ATOM 2297 O VAL B 124 3.198 4.907 45.756 1.00 19.89 O ATOM 2298 CB VAL B 124 3.616 7.921 45.153 1.00 19.11 C ATOM 2299 CG1 VAL B 124 5.111 8.131 45.041 1.00 18.86 C ATOM 2300 CG2 VAL B 124 2.858 9.193 44.782 1.00 18.86 C ATOM 0 H VAL B 124 1.310 6.658 45.019 1.00 18.75 H new ATOM 0 HA VAL B 124 3.470 6.926 43.368 1.00 19.19 H new ATOM 0 HB VAL B 124 3.421 7.701 46.077 1.00 19.11 H new ATOM 0 HG11 VAL B 124 5.377 8.872 45.608 1.00 18.86 H new ATOM 0 HG12 VAL B 124 5.573 7.326 45.323 1.00 18.86 H new ATOM 0 HG13 VAL B 124 5.342 8.330 44.120 1.00 18.86 H new ATOM 0 HG21 VAL B 124 3.157 9.924 45.345 1.00 18.86 H new ATOM 0 HG22 VAL B 124 3.027 9.411 43.852 1.00 18.86 H new ATOM 0 HG23 VAL B 124 1.907 9.053 44.913 1.00 18.86 H new ATOM 2301 N GLY B 125 4.746 4.936 44.177 1.00 20.19 N ATOM 2302 CA GLY B 125 5.267 3.650 44.613 1.00 20.42 C ATOM 2303 C GLY B 125 4.247 2.548 44.374 1.00 20.33 C ATOM 2304 O GLY B 125 3.606 2.497 43.322 1.00 20.50 O ATOM 0 H GLY B 125 5.156 5.297 43.513 1.00 20.19 H new ATOM 0 HA2 GLY B 125 6.086 3.448 44.134 1.00 20.42 H new ATOM 0 HA3 GLY B 125 5.492 3.690 45.556 1.00 20.42 H new ATOM 2305 N ASN B 126 4.076 1.669 45.349 1.00 20.26 N ATOM 2306 CA ASN B 126 3.149 0.552 45.186 1.00 20.46 C ATOM 2307 C ASN B 126 1.977 0.603 46.138 1.00 20.53 C ATOM 2308 O ASN B 126 1.362 -0.430 46.394 1.00 20.20 O ATOM 2309 CB ASN B 126 3.866 -0.774 45.408 1.00 20.44 C ATOM 2310 CG ASN B 126 4.631 -1.246 44.185 1.00 20.82 C ATOM 2311 OD1 ASN B 126 4.028 -1.720 43.208 1.00 20.21 O ATOM 2312 ND2 ASN B 126 5.971 -1.147 44.239 1.00 20.23 N ATOM 0 H ASN B 126 4.481 1.697 46.107 1.00 20.26 H new ATOM 0 HA ASN B 126 2.812 0.625 44.279 1.00 20.46 H new ATOM 0 HB2 ASN B 126 4.481 -0.683 46.153 1.00 20.44 H new ATOM 0 HB3 ASN B 126 3.216 -1.450 45.658 1.00 20.44 H new ATOM 0 HD21 ASN B 126 6.449 -1.418 43.578 1.00 20.23 H new ATOM 0 HD22 ASN B 126 6.350 -0.812 44.935 1.00 20.23 H new ATOM 2313 N GLU B 127 1.673 1.793 46.648 1.00 20.53 N ATOM 2314 CA GLU B 127 0.592 1.972 47.603 1.00 21.18 C ATOM 2315 C GLU B 127 -0.805 1.677 47.038 1.00 20.71 C ATOM 2316 O GLU B 127 -0.958 1.248 45.914 1.00 20.40 O ATOM 2317 CB GLU B 127 0.607 3.412 48.105 1.00 21.69 C ATOM 2318 CG GLU B 127 0.065 4.409 47.102 1.00 23.13 C ATOM 2319 CD GLU B 127 0.231 5.845 47.577 1.00 25.74 C ATOM 2320 OE1 GLU B 127 -0.356 6.176 48.650 1.00 28.10 O ATOM 2321 OE2 GLU B 127 0.951 6.625 46.882 1.00 23.30 O ATOM 0 H GLU B 127 2.090 2.518 46.448 1.00 20.53 H new ATOM 0 HA GLU B 127 0.751 1.330 48.313 1.00 21.18 H new ATOM 0 HB2 GLU B 127 0.084 3.468 48.920 1.00 21.69 H new ATOM 0 HB3 GLU B 127 1.517 3.657 48.334 1.00 21.69 H new ATOM 0 HG2 GLU B 127 0.523 4.295 46.254 1.00 23.13 H new ATOM 0 HG3 GLU B 127 -0.875 4.228 46.944 1.00 23.13 H new ATOM 2322 N ALA B 128 -1.824 1.938 47.835 1.00 20.33 N ATOM 2323 CA ALA B 128 -3.174 1.763 47.372 1.00 20.50 C ATOM 2324 C ALA B 128 -3.661 3.091 46.811 1.00 20.56 C ATOM 2325 O ALA B 128 -3.793 4.067 47.541 1.00 20.37 O ATOM 2326 CB ALA B 128 -4.066 1.315 48.498 1.00 20.84 C ATOM 0 H ALA B 128 -1.751 2.217 48.645 1.00 20.33 H new ATOM 0 HA ALA B 128 -3.200 1.080 46.684 1.00 20.50 H new ATOM 0 HB1 ALA B 128 -4.971 1.202 48.169 1.00 20.84 H new ATOM 0 HB2 ALA B 128 -3.743 0.471 48.851 1.00 20.84 H new ATOM 0 HB3 ALA B 128 -4.059 1.983 49.202 1.00 20.84 H new ATOM 2327 N PRO B 129 -3.958 3.102 45.521 1.00 20.48 N ATOM 2328 CA PRO B 129 -4.386 4.294 44.797 1.00 20.46 C ATOM 2329 C PRO B 129 -5.373 5.188 45.536 1.00 20.38 C ATOM 2330 O PRO B 129 -6.271 4.703 46.226 1.00 20.24 O ATOM 2331 CB PRO B 129 -5.051 3.683 43.577 1.00 20.66 C ATOM 2332 CG PRO B 129 -4.193 2.531 43.314 1.00 20.86 C ATOM 2333 CD PRO B 129 -3.974 1.922 44.645 1.00 20.48 C ATOM 0 HA PRO B 129 -3.639 4.890 44.630 1.00 20.46 H new ATOM 0 HB2 PRO B 129 -5.968 3.421 43.755 1.00 20.66 H new ATOM 0 HB3 PRO B 129 -5.073 4.299 42.828 1.00 20.66 H new ATOM 0 HG2 PRO B 129 -4.617 1.906 42.705 1.00 20.86 H new ATOM 0 HG3 PRO B 129 -3.355 2.800 42.906 1.00 20.86 H new ATOM 0 HD2 PRO B 129 -4.682 1.303 44.882 1.00 20.48 H new ATOM 0 HD3 PRO B 129 -3.140 1.428 44.686 1.00 20.48 H new ATOM 2334 N ILE B 130 -5.192 6.498 45.372 1.00 20.47 N ATOM 2335 CA ILE B 130 -6.030 7.496 46.023 1.00 20.42 C ATOM 2336 C ILE B 130 -7.042 7.992 45.001 1.00 20.28 C ATOM 2337 O ILE B 130 -6.647 8.575 43.973 1.00 20.43 O ATOM 2338 CB ILE B 130 -5.185 8.703 46.520 1.00 20.36 C ATOM 2339 CG1 ILE B 130 -3.969 8.267 47.322 1.00 20.51 C ATOM 2340 CG2 ILE B 130 -6.022 9.588 47.387 1.00 21.59 C ATOM 2341 CD1 ILE B 130 -4.302 7.667 48.656 1.00 21.41 C ATOM 0 H ILE B 130 -4.574 6.832 44.876 1.00 20.47 H new ATOM 0 HA ILE B 130 -6.466 7.095 46.791 1.00 20.42 H new ATOM 0 HB ILE B 130 -4.880 9.176 45.730 1.00 20.36 H new ATOM 0 HG12 ILE B 130 -3.466 7.620 46.803 1.00 20.51 H new ATOM 0 HG13 ILE B 130 -3.390 9.034 47.458 1.00 20.51 H new ATOM 0 HG21 ILE B 130 -5.489 10.338 47.694 1.00 21.59 H new ATOM 0 HG22 ILE B 130 -6.780 9.916 46.878 1.00 21.59 H new ATOM 0 HG23 ILE B 130 -6.340 9.084 48.152 1.00 21.59 H new ATOM 0 HD11 ILE B 130 -3.483 7.413 49.110 1.00 21.41 H new ATOM 0 HD12 ILE B 130 -4.781 8.317 49.193 1.00 21.41 H new ATOM 0 HD13 ILE B 130 -4.857 6.882 48.528 1.00 21.41 H new ATOM 2342 N THR B 131 -8.330 7.761 45.245 1.00 19.57 N ATOM 2343 CA THR B 131 -9.317 8.201 44.292 1.00 19.43 C ATOM 2344 C THR B 131 -10.189 9.318 44.803 1.00 19.42 C ATOM 2345 O THR B 131 -10.336 9.500 46.007 1.00 19.56 O ATOM 2346 CB THR B 131 -10.188 7.005 43.842 1.00 19.91 C ATOM 2347 OG1 THR B 131 -11.009 6.508 44.923 1.00 20.71 O ATOM 2348 CG2 THR B 131 -9.303 5.832 43.415 1.00 18.76 C ATOM 0 H THR B 131 -8.639 7.361 45.941 1.00 19.57 H new ATOM 0 HA THR B 131 -8.829 8.561 43.535 1.00 19.43 H new ATOM 0 HB THR B 131 -10.739 7.329 43.112 1.00 19.91 H new ATOM 0 HG1 THR B 131 -11.471 5.862 44.650 1.00 20.71 H new ATOM 0 HG21 THR B 131 -9.862 5.090 43.136 1.00 18.76 H new ATOM 0 HG22 THR B 131 -8.737 6.106 42.677 1.00 18.76 H new ATOM 0 HG23 THR B 131 -8.749 5.556 44.162 1.00 18.76 H new ATOM 2349 N GLY B 132 -10.778 10.062 43.869 1.00 19.34 N ATOM 2350 CA GLY B 132 -11.709 11.129 44.207 1.00 19.24 C ATOM 2351 C GLY B 132 -12.359 11.781 42.999 1.00 18.99 C ATOM 2352 O GLY B 132 -12.201 11.327 41.881 1.00 18.75 O ATOM 0 H GLY B 132 -10.648 9.961 43.025 1.00 19.34 H new ATOM 0 HA2 GLY B 132 -12.403 10.771 44.783 1.00 19.24 H new ATOM 0 HA3 GLY B 132 -11.239 11.808 44.716 1.00 19.24 H new ATOM 2353 N SER B 133 -13.048 12.896 43.200 1.00 19.04 N ATOM 2354 CA SER B 133 -13.672 13.554 42.063 1.00 19.20 C ATOM 2355 C SER B 133 -14.016 15.005 42.326 1.00 18.53 C ATOM 2356 O SER B 133 -14.609 15.344 43.327 1.00 18.40 O ATOM 2357 CB SER B 133 -14.903 12.770 41.655 1.00 19.45 C ATOM 2358 OG SER B 133 -14.616 11.389 41.805 1.00 21.58 O ATOM 0 H SER B 133 -13.164 13.278 43.962 1.00 19.04 H new ATOM 0 HA SER B 133 -13.027 13.566 41.338 1.00 19.20 H new ATOM 0 HB2 SER B 133 -15.662 13.020 42.205 1.00 19.45 H new ATOM 0 HB3 SER B 133 -15.142 12.968 40.736 1.00 19.45 H new ATOM 0 HG SER B 133 -13.871 11.218 41.457 1.00 21.58 H new ATOM 2359 N SER B 134 -13.629 15.881 41.416 1.00 18.47 N ATOM 2360 CA SER B 134 -13.964 17.280 41.578 1.00 18.30 C ATOM 2361 C SER B 134 -15.479 17.334 41.709 1.00 17.35 C ATOM 2362 O SER B 134 -16.126 16.389 41.327 1.00 16.63 O ATOM 2363 CB SER B 134 -13.455 18.101 40.386 1.00 18.32 C ATOM 2364 OG SER B 134 -14.471 18.266 39.387 1.00 19.66 O ATOM 0 H SER B 134 -13.179 15.690 40.709 1.00 18.47 H new ATOM 0 HA SER B 134 -13.542 17.666 42.361 1.00 18.30 H new ATOM 0 HB2 SER B 134 -13.159 18.972 40.695 1.00 18.32 H new ATOM 0 HB3 SER B 134 -12.684 17.661 39.995 1.00 18.32 H new ATOM 0 HG SER B 134 -14.439 19.048 39.081 1.00 19.66 H new ATOM 2365 N PRO B 135 -16.033 18.401 42.280 1.00 17.70 N ATOM 2366 CA PRO B 135 -17.493 18.552 42.432 1.00 18.01 C ATOM 2367 C PRO B 135 -18.259 18.388 41.135 1.00 18.02 C ATOM 2368 O PRO B 135 -17.614 18.363 40.087 1.00 18.70 O ATOM 2369 CB PRO B 135 -17.639 19.984 42.950 1.00 17.79 C ATOM 2370 CG PRO B 135 -16.425 20.183 43.739 1.00 18.10 C ATOM 2371 CD PRO B 135 -15.327 19.545 42.885 1.00 18.05 C ATOM 0 HA PRO B 135 -17.859 17.869 43.016 1.00 18.01 H new ATOM 0 HB2 PRO B 135 -17.702 20.623 42.223 1.00 17.79 H new ATOM 0 HB3 PRO B 135 -18.438 20.089 43.490 1.00 17.79 H new ATOM 0 HG2 PRO B 135 -16.252 21.125 43.896 1.00 18.10 H new ATOM 0 HG3 PRO B 135 -16.492 19.758 44.609 1.00 18.10 H new ATOM 0 HD2 PRO B 135 -14.987 20.158 42.214 1.00 18.05 H new ATOM 0 HD3 PRO B 135 -14.569 19.262 43.420 1.00 18.05 H new ATOM 2372 N LEU B 136 -19.587 18.289 41.208 1.00 17.78 N ATOM 2373 CA LEU B 136 -20.418 18.162 40.020 1.00 17.72 C ATOM 2374 C LEU B 136 -20.278 19.421 39.184 1.00 18.10 C ATOM 2375 O LEU B 136 -19.814 20.465 39.647 1.00 18.02 O ATOM 2376 CB LEU B 136 -21.887 17.988 40.389 1.00 17.87 C ATOM 2377 CG LEU B 136 -22.499 16.577 40.380 1.00 17.86 C ATOM 2378 CD1 LEU B 136 -23.882 16.588 40.980 1.00 17.46 C ATOM 2379 CD2 LEU B 136 -22.542 15.998 38.986 1.00 17.39 C ATOM 0 H LEU B 136 -20.027 18.294 41.947 1.00 17.78 H new ATOM 0 HA LEU B 136 -20.126 17.380 39.526 1.00 17.72 H new ATOM 0 HB2 LEU B 136 -22.010 18.354 41.279 1.00 17.87 H new ATOM 0 HB3 LEU B 136 -22.408 18.536 39.782 1.00 17.87 H new ATOM 0 HG LEU B 136 -21.927 16.012 40.922 1.00 17.86 H new ATOM 0 HD11 LEU B 136 -24.249 15.690 40.964 1.00 17.46 H new ATOM 0 HD12 LEU B 136 -23.835 16.902 41.897 1.00 17.46 H new ATOM 0 HD13 LEU B 136 -24.453 17.179 40.465 1.00 17.46 H new ATOM 0 HD21 LEU B 136 -22.932 15.110 39.016 1.00 17.39 H new ATOM 0 HD22 LEU B 136 -23.080 16.568 38.415 1.00 17.39 H new ATOM 0 HD23 LEU B 136 -21.641 15.943 38.630 1.00 17.39 H new ATOM 2380 N GLY B 137 -20.698 19.342 37.940 1.00 18.31 N ATOM 2381 CA GLY B 137 -20.582 20.492 37.077 1.00 18.46 C ATOM 2382 C GLY B 137 -19.493 20.243 36.085 1.00 18.46 C ATOM 2383 O GLY B 137 -19.523 19.233 35.398 1.00 18.37 O ATOM 0 H GLY B 137 -21.048 18.644 37.580 1.00 18.31 H new ATOM 0 HA2 GLY B 137 -21.422 20.655 36.620 1.00 18.46 H new ATOM 0 HA3 GLY B 137 -20.385 21.285 37.599 1.00 18.46 H new ATOM 2384 N ALA B 138 -18.548 21.174 36.008 1.00 18.88 N ATOM 2385 CA ALA B 138 -17.397 21.044 35.127 1.00 18.99 C ATOM 2386 C ALA B 138 -16.860 19.604 35.089 1.00 19.23 C ATOM 2387 O ALA B 138 -16.683 18.953 36.124 1.00 18.63 O ATOM 2388 CB ALA B 138 -16.313 22.018 35.548 1.00 18.88 C ATOM 0 H ALA B 138 -18.558 21.901 36.467 1.00 18.88 H new ATOM 0 HA ALA B 138 -17.684 21.260 34.226 1.00 18.99 H new ATOM 0 HB1 ALA B 138 -15.549 21.927 34.958 1.00 18.88 H new ATOM 0 HB2 ALA B 138 -16.654 22.924 35.497 1.00 18.88 H new ATOM 0 HB3 ALA B 138 -16.042 21.826 36.459 1.00 18.88 H new ATOM 2389 N THR B 139 -16.608 19.118 33.877 1.00 19.96 N ATOM 2390 CA THR B 139 -16.100 17.770 33.672 1.00 20.51 C ATOM 2391 C THR B 139 -14.875 17.798 32.764 1.00 20.98 C ATOM 2392 O THR B 139 -14.050 16.877 32.776 1.00 21.56 O ATOM 2393 CB THR B 139 -17.163 16.897 33.004 1.00 20.71 C ATOM 2394 OG1 THR B 139 -17.565 17.494 31.757 1.00 19.40 O ATOM 2395 CG2 THR B 139 -18.422 16.839 33.851 1.00 21.04 C ATOM 0 H THR B 139 -16.728 19.563 33.151 1.00 19.96 H new ATOM 0 HA THR B 139 -15.865 17.406 34.540 1.00 20.51 H new ATOM 0 HB THR B 139 -16.778 16.015 32.884 1.00 20.71 H new ATOM 0 HG1 THR B 139 -18.148 17.013 31.391 1.00 19.40 H new ATOM 0 HG21 THR B 139 -19.083 16.282 33.411 1.00 21.04 H new ATOM 0 HG22 THR B 139 -18.210 16.464 34.720 1.00 21.04 H new ATOM 0 HG23 THR B 139 -18.778 17.734 33.963 1.00 21.04 H new ATOM 2396 N GLN B 140 -14.759 18.846 31.956 1.00 21.13 N ATOM 2397 CA GLN B 140 -13.650 18.947 31.004 1.00 21.11 C ATOM 2398 C GLN B 140 -12.610 19.951 31.462 1.00 20.67 C ATOM 2399 O GLN B 140 -12.932 20.945 32.129 1.00 20.56 O ATOM 2400 CB GLN B 140 -14.172 19.383 29.629 1.00 21.10 C ATOM 2401 CG GLN B 140 -15.183 18.439 29.013 1.00 22.03 C ATOM 2402 CD GLN B 140 -15.855 19.022 27.794 1.00 23.05 C ATOM 2403 OE1 GLN B 140 -15.358 19.972 27.208 1.00 22.58 O ATOM 2404 NE2 GLN B 140 -17.007 18.469 27.424 1.00 25.61 N ATOM 0 H GLN B 140 -15.307 19.508 31.940 1.00 21.13 H new ATOM 0 HA GLN B 140 -13.239 18.070 30.949 1.00 21.11 H new ATOM 0 HB2 GLN B 140 -14.575 20.261 29.712 1.00 21.10 H new ATOM 0 HB3 GLN B 140 -13.419 19.473 29.024 1.00 21.10 H new ATOM 0 HG2 GLN B 140 -14.740 17.611 28.769 1.00 22.03 H new ATOM 0 HG3 GLN B 140 -15.857 18.216 29.674 1.00 22.03 H new ATOM 0 HE21 GLN B 140 -17.324 17.801 27.863 1.00 25.61 H new ATOM 0 HE22 GLN B 140 -17.435 18.780 26.746 1.00 25.61 H new ATOM 2405 N LEU B 141 -11.370 19.696 31.072 1.00 20.27 N ATOM 2406 CA LEU B 141 -10.264 20.605 31.364 1.00 20.17 C ATOM 2407 C LEU B 141 -10.010 21.374 30.101 1.00 19.74 C ATOM 2408 O LEU B 141 -9.700 20.791 29.071 1.00 19.42 O ATOM 2409 CB LEU B 141 -9.000 19.848 31.762 1.00 20.13 C ATOM 2410 CG LEU B 141 -7.931 20.646 32.497 1.00 20.47 C ATOM 2411 CD1 LEU B 141 -7.042 19.712 33.290 1.00 20.96 C ATOM 2412 CD2 LEU B 141 -7.105 21.475 31.528 1.00 22.35 C ATOM 0 H LEU B 141 -11.143 18.993 30.631 1.00 20.27 H new ATOM 0 HA LEU B 141 -10.493 21.183 32.109 1.00 20.17 H new ATOM 0 HB2 LEU B 141 -9.258 19.099 32.322 1.00 20.13 H new ATOM 0 HB3 LEU B 141 -8.603 19.477 30.958 1.00 20.13 H new ATOM 0 HG LEU B 141 -8.371 21.257 33.109 1.00 20.47 H new ATOM 0 HD11 LEU B 141 -6.364 20.227 33.755 1.00 20.96 H new ATOM 0 HD12 LEU B 141 -7.578 19.226 33.936 1.00 20.96 H new ATOM 0 HD13 LEU B 141 -6.614 19.084 32.688 1.00 20.96 H new ATOM 0 HD21 LEU B 141 -6.433 21.973 32.019 1.00 22.35 H new ATOM 0 HD22 LEU B 141 -6.670 20.889 30.889 1.00 22.35 H new ATOM 0 HD23 LEU B 141 -7.684 22.094 31.056 1.00 22.35 H new ATOM 2413 N ASP B 142 -10.193 22.682 30.156 1.00 19.57 N ATOM 2414 CA ASP B 142 -9.951 23.484 28.976 1.00 19.55 C ATOM 2415 C ASP B 142 -8.533 24.023 29.037 1.00 19.11 C ATOM 2416 O ASP B 142 -8.152 24.709 29.988 1.00 18.97 O ATOM 2417 CB ASP B 142 -10.968 24.623 28.873 1.00 20.13 C ATOM 2418 CG ASP B 142 -12.397 24.148 29.018 1.00 19.28 C ATOM 2419 OD1 ASP B 142 -12.913 24.099 30.150 1.00 20.37 O ATOM 2420 OD2 ASP B 142 -13.083 23.795 28.048 1.00 21.11 O ATOM 0 H ASP B 142 -10.451 23.116 30.852 1.00 19.57 H new ATOM 0 HA ASP B 142 -10.054 22.935 28.183 1.00 19.55 H new ATOM 0 HB2 ASP B 142 -10.780 25.282 29.559 1.00 20.13 H new ATOM 0 HB3 ASP B 142 -10.864 25.067 28.017 1.00 20.13 H new ATOM 2421 N THR B 143 -7.745 23.711 28.019 1.00 18.55 N ATOM 2422 CA THR B 143 -6.376 24.169 27.987 1.00 17.96 C ATOM 2423 C THR B 143 -5.887 24.344 26.573 1.00 18.19 C ATOM 2424 O THR B 143 -6.419 23.736 25.629 1.00 18.13 O ATOM 2425 CB THR B 143 -5.455 23.177 28.717 1.00 18.09 C ATOM 2426 OG1 THR B 143 -4.073 23.507 28.456 1.00 16.34 O ATOM 2427 CG2 THR B 143 -5.618 21.752 28.180 1.00 17.69 C ATOM 0 H THR B 143 -7.986 23.238 27.343 1.00 18.55 H new ATOM 0 HA THR B 143 -6.351 25.029 28.436 1.00 17.96 H new ATOM 0 HB THR B 143 -5.690 23.230 29.657 1.00 18.09 H new ATOM 0 HG1 THR B 143 -3.574 22.964 28.858 1.00 16.34 H new ATOM 0 HG21 THR B 143 -5.024 21.155 28.661 1.00 17.69 H new ATOM 0 HG22 THR B 143 -6.536 21.463 28.302 1.00 17.69 H new ATOM 0 HG23 THR B 143 -5.397 21.735 27.236 1.00 17.69 H new ATOM 2428 N ASP B 144 -4.847 25.168 26.440 1.00 17.97 N ATOM 2429 CA ASP B 144 -4.216 25.418 25.152 1.00 17.41 C ATOM 2430 C ASP B 144 -3.160 24.369 24.903 1.00 17.17 C ATOM 2431 O ASP B 144 -2.497 24.377 23.871 1.00 17.42 O ATOM 2432 CB ASP B 144 -3.616 26.827 25.106 1.00 17.17 C ATOM 2433 CG ASP B 144 -2.560 27.050 26.167 1.00 17.99 C ATOM 2434 OD1 ASP B 144 -1.661 27.893 25.989 1.00 18.21 O ATOM 2435 OD2 ASP B 144 -2.525 26.426 27.229 1.00 20.25 O ATOM 0 H ASP B 144 -4.491 25.596 27.095 1.00 17.97 H new ATOM 0 HA ASP B 144 -4.885 25.364 24.451 1.00 17.41 H new ATOM 0 HB2 ASP B 144 -3.226 26.980 24.231 1.00 17.17 H new ATOM 0 HB3 ASP B 144 -4.325 27.480 25.219 1.00 17.17 H new ATOM 2436 N GLY B 145 -3.017 23.437 25.835 1.00 16.98 N ATOM 2437 CA GLY B 145 -1.980 22.412 25.729 1.00 16.85 C ATOM 2438 C GLY B 145 -0.646 22.751 26.431 1.00 16.52 C ATOM 2439 O GLY B 145 0.396 22.108 26.219 1.00 15.31 O ATOM 0 H GLY B 145 -3.509 23.378 26.538 1.00 16.98 H new ATOM 0 HA2 GLY B 145 -2.324 21.585 26.101 1.00 16.85 H new ATOM 0 HA3 GLY B 145 -1.802 22.248 24.790 1.00 16.85 H new ATOM 2440 N ALA B 146 -0.668 23.783 27.267 1.00 16.56 N ATOM 2441 CA ALA B 146 0.517 24.162 28.006 1.00 16.76 C ATOM 2442 C ALA B 146 0.804 23.113 29.041 1.00 17.13 C ATOM 2443 O ALA B 146 -0.150 22.519 29.568 1.00 17.54 O ATOM 2444 CB ALA B 146 0.292 25.454 28.667 1.00 16.89 C ATOM 0 H ALA B 146 -1.359 24.272 27.417 1.00 16.56 H new ATOM 0 HA ALA B 146 1.270 24.240 27.400 1.00 16.76 H new ATOM 0 HB1 ALA B 146 1.087 25.707 29.162 1.00 16.89 H new ATOM 0 HB2 ALA B 146 0.099 26.130 27.999 1.00 16.89 H new ATOM 0 HB3 ALA B 146 -0.458 25.379 29.277 1.00 16.89 H new ATOM 2445 N LEU B 147 2.099 22.896 29.330 1.00 17.38 N ATOM 2446 CA LEU B 147 2.559 21.941 30.349 1.00 17.46 C ATOM 2447 C LEU B 147 3.884 22.323 30.870 1.00 18.10 C ATOM 2448 O LEU B 147 4.755 22.506 30.055 1.00 18.62 O ATOM 2449 CB LEU B 147 2.724 20.563 29.763 1.00 17.20 C ATOM 2450 CG LEU B 147 3.447 19.590 30.703 1.00 16.52 C ATOM 2451 CD1 LEU B 147 2.650 19.350 31.961 1.00 15.49 C ATOM 2452 CD2 LEU B 147 3.671 18.282 29.981 1.00 15.91 C ATOM 0 H LEU B 147 2.741 23.307 28.932 1.00 17.38 H new ATOM 0 HA LEU B 147 1.889 21.947 31.051 1.00 17.46 H new ATOM 0 HB2 LEU B 147 1.850 20.204 29.545 1.00 17.20 H new ATOM 0 HB3 LEU B 147 3.219 20.629 28.931 1.00 17.20 H new ATOM 0 HG LEU B 147 4.297 19.980 30.959 1.00 16.52 H new ATOM 0 HD11 LEU B 147 3.130 18.733 32.535 1.00 15.49 H new ATOM 0 HD12 LEU B 147 2.520 20.191 32.427 1.00 15.49 H new ATOM 0 HD13 LEU B 147 1.787 18.972 31.730 1.00 15.49 H new ATOM 0 HD21 LEU B 147 4.128 17.661 30.570 1.00 15.91 H new ATOM 0 HD22 LEU B 147 2.816 17.907 29.718 1.00 15.91 H new ATOM 0 HD23 LEU B 147 4.213 18.437 29.191 1.00 15.91 H new ATOM 2453 N TRP B 148 4.070 22.427 32.192 1.00 19.28 N ATOM 2454 CA TRP B 148 5.397 22.795 32.739 1.00 20.90 C ATOM 2455 C TRP B 148 5.961 21.816 33.763 1.00 21.16 C ATOM 2456 O TRP B 148 5.205 21.347 34.596 1.00 22.01 O ATOM 2457 CB TRP B 148 5.361 24.163 33.413 1.00 21.33 C ATOM 2458 CG TRP B 148 5.120 25.325 32.502 1.00 23.05 C ATOM 2459 CD1 TRP B 148 3.905 25.774 32.057 1.00 25.27 C ATOM 2460 CD2 TRP B 148 6.099 26.232 31.978 1.00 22.30 C ATOM 2461 NE1 TRP B 148 4.080 26.885 31.264 1.00 25.46 N ATOM 2462 CE2 TRP B 148 5.414 27.183 31.199 1.00 22.22 C ATOM 2463 CE3 TRP B 148 7.492 26.323 32.067 1.00 22.90 C ATOM 2464 CZ2 TRP B 148 6.059 28.192 30.526 1.00 22.33 C ATOM 2465 CZ3 TRP B 148 8.138 27.331 31.386 1.00 22.20 C ATOM 2466 CH2 TRP B 148 7.420 28.253 30.626 1.00 23.11 C ATOM 0 H TRP B 148 3.459 22.293 32.782 1.00 19.28 H new ATOM 0 HA TRP B 148 5.973 22.788 31.959 1.00 20.90 H new ATOM 0 HB2 TRP B 148 4.667 24.154 34.090 1.00 21.33 H new ATOM 0 HB3 TRP B 148 6.204 24.302 33.872 1.00 21.33 H new ATOM 0 HD1 TRP B 148 3.085 25.386 32.260 1.00 25.27 H new ATOM 0 HE1 TRP B 148 3.452 27.322 30.872 1.00 25.46 H new ATOM 0 HE3 TRP B 148 7.974 25.713 32.577 1.00 22.90 H new ATOM 0 HZ2 TRP B 148 5.586 28.812 30.020 1.00 22.33 H new ATOM 0 HZ3 TRP B 148 9.064 27.397 31.434 1.00 22.20 H new ATOM 0 HH2 TRP B 148 7.878 28.926 30.176 1.00 23.11 H new ATOM 2467 N LEU B 149 7.281 21.584 33.727 1.00 21.47 N ATOM 2468 CA LEU B 149 8.005 20.707 34.664 1.00 22.30 C ATOM 2469 C LEU B 149 9.043 21.425 35.571 1.00 23.41 C ATOM 2470 O LEU B 149 9.961 22.125 35.083 1.00 23.06 O ATOM 2471 CB LEU B 149 8.747 19.643 33.884 1.00 22.01 C ATOM 2472 CG LEU B 149 8.028 18.327 33.610 1.00 22.97 C ATOM 2473 CD1 LEU B 149 6.619 18.516 33.092 1.00 23.78 C ATOM 2474 CD2 LEU B 149 8.841 17.553 32.613 1.00 24.15 C ATOM 0 H LEU B 149 7.795 21.943 33.139 1.00 21.47 H new ATOM 0 HA LEU B 149 7.320 20.343 35.247 1.00 22.30 H new ATOM 0 HB2 LEU B 149 9.004 20.025 33.030 1.00 22.01 H new ATOM 0 HB3 LEU B 149 9.566 19.440 34.362 1.00 22.01 H new ATOM 0 HG LEU B 149 7.945 17.847 34.449 1.00 22.97 H new ATOM 0 HD11 LEU B 149 6.212 17.649 32.936 1.00 23.78 H new ATOM 0 HD12 LEU B 149 6.096 19.005 33.747 1.00 23.78 H new ATOM 0 HD13 LEU B 149 6.644 19.015 32.261 1.00 23.78 H new ATOM 0 HD21 LEU B 149 8.402 16.709 32.422 1.00 24.15 H new ATOM 0 HD22 LEU B 149 8.923 18.066 31.794 1.00 24.15 H new ATOM 0 HD23 LEU B 149 9.724 17.383 32.977 1.00 24.15 H new ATOM 2475 N GLY B 150 8.910 21.253 36.889 1.00 24.39 N ATOM 2476 CA GLY B 150 9.849 21.874 37.834 1.00 25.19 C ATOM 2477 C GLY B 150 9.529 23.281 38.365 1.00 25.84 C ATOM 2478 O GLY B 150 10.226 23.822 39.234 1.00 24.25 O ATOM 0 H GLY B 150 8.289 20.785 37.256 1.00 24.39 H new ATOM 0 HA2 GLY B 150 9.934 21.282 38.598 1.00 25.19 H new ATOM 0 HA3 GLY B 150 10.718 21.911 37.405 1.00 25.19 H new ATOM 2479 N GLY B 151 8.441 23.860 37.858 1.00 27.41 N ATOM 2480 CA GLY B 151 8.004 25.180 38.259 1.00 28.49 C ATOM 2481 C GLY B 151 7.588 25.938 37.030 1.00 29.78 C ATOM 2482 O GLY B 151 7.818 25.468 35.920 1.00 29.84 O ATOM 0 H GLY B 151 7.937 23.489 37.268 1.00 27.41 H new ATOM 0 HA2 GLY B 151 7.263 25.115 38.882 1.00 28.49 H new ATOM 0 HA3 GLY B 151 8.720 25.647 38.717 1.00 28.49 H new ATOM 2483 N MET B 152 6.947 27.085 37.205 1.00 31.29 N ATOM 2484 CA MET B 152 6.554 27.867 36.057 1.00 32.72 C ATOM 2485 C MET B 152 6.485 29.332 36.380 1.00 33.60 C ATOM 2486 O MET B 152 5.561 29.786 37.034 1.00 34.23 O ATOM 2487 CB MET B 152 5.214 27.382 35.534 1.00 33.12 C ATOM 2488 CG MET B 152 4.085 27.659 36.445 1.00 35.07 C ATOM 2489 SD MET B 152 2.593 26.897 35.884 1.00 39.45 S ATOM 2490 CE MET B 152 1.575 27.263 37.501 1.00 40.39 C ATOM 0 H MET B 152 6.735 27.420 37.968 1.00 31.29 H new ATOM 0 HA MET B 152 7.230 27.749 35.371 1.00 32.72 H new ATOM 0 HB2 MET B 152 5.039 27.803 34.678 1.00 33.12 H new ATOM 0 HB3 MET B 152 5.264 26.426 35.376 1.00 33.12 H new ATOM 0 HG2 MET B 152 4.299 27.336 37.334 1.00 35.07 H new ATOM 0 HG3 MET B 152 3.953 28.617 36.515 1.00 35.07 H new ATOM 0 HE1 MET B 152 0.648 27.427 37.269 1.00 40.39 H new ATOM 0 HE2 MET B 152 1.629 26.500 38.097 1.00 40.39 H new ATOM 0 HE3 MET B 152 1.941 28.045 37.944 1.00 40.39 H new ATOM 2491 N GLU B 153 7.477 30.062 35.903 1.00 34.84 N ATOM 2492 CA GLU B 153 7.607 31.507 36.090 1.00 36.13 C ATOM 2493 C GLU B 153 6.287 32.261 36.258 1.00 36.09 C ATOM 2494 O GLU B 153 6.105 33.040 37.185 1.00 35.67 O ATOM 2495 CB GLU B 153 8.375 32.065 34.893 1.00 36.94 C ATOM 2496 CG GLU B 153 7.753 31.648 33.570 1.00 39.62 C ATOM 2497 CD GLU B 153 8.762 31.522 32.440 1.00 42.80 C ATOM 2498 OE1 GLU B 153 8.306 31.229 31.307 1.00 45.64 O ATOM 2499 OE2 GLU B 153 9.986 31.707 32.676 1.00 42.74 O ATOM 0 H GLU B 153 8.120 29.723 35.444 1.00 34.84 H new ATOM 0 HA GLU B 153 8.077 31.642 36.928 1.00 36.13 H new ATOM 0 HB2 GLU B 153 8.398 33.033 34.948 1.00 36.94 H new ATOM 0 HB3 GLU B 153 9.294 31.757 34.928 1.00 36.94 H new ATOM 0 HG2 GLU B 153 7.301 30.798 33.687 1.00 39.62 H new ATOM 0 HG3 GLU B 153 7.077 32.297 33.320 1.00 39.62 H new ATOM 2500 N ARG B 154 5.354 32.018 35.365 1.00 36.84 N ATOM 2501 CA ARG B 154 4.041 32.641 35.452 1.00 37.71 C ATOM 2502 C ARG B 154 3.365 32.374 36.816 1.00 37.89 C ATOM 2503 O ARG B 154 2.130 32.397 36.937 1.00 37.57 O ATOM 2504 CB ARG B 154 3.173 32.083 34.330 1.00 38.02 C ATOM 2505 CG ARG B 154 1.864 32.823 34.044 1.00 38.25 C ATOM 2506 CD ARG B 154 1.154 32.254 32.813 1.00 38.21 C ATOM 2507 NE ARG B 154 2.090 32.131 31.692 1.00 38.24 N ATOM 2508 CZ ARG B 154 1.817 31.556 30.533 1.00 37.05 C ATOM 2509 NH1 ARG B 154 0.613 31.042 30.310 1.00 36.09 N ATOM 2510 NH2 ARG B 154 2.755 31.509 29.590 1.00 35.75 N ATOM 0 H ARG B 154 5.456 31.492 34.693 1.00 36.84 H new ATOM 0 HA ARG B 154 4.145 33.602 35.366 1.00 37.71 H new ATOM 0 HB2 ARG B 154 3.700 32.073 33.516 1.00 38.02 H new ATOM 0 HB3 ARG B 154 2.960 31.161 34.542 1.00 38.02 H new ATOM 0 HG2 ARG B 154 1.279 32.758 34.815 1.00 38.25 H new ATOM 0 HG3 ARG B 154 2.047 33.765 33.906 1.00 38.25 H new ATOM 0 HD2 ARG B 154 0.777 31.385 33.023 1.00 38.21 H new ATOM 0 HD3 ARG B 154 0.416 32.831 32.563 1.00 38.21 H new ATOM 0 HE ARG B 154 2.878 32.458 31.796 1.00 38.24 H new ATOM 0 HH11 ARG B 154 0.008 31.083 30.920 1.00 36.09 H new ATOM 0 HH12 ARG B 154 0.438 30.669 29.555 1.00 36.09 H new ATOM 0 HH21 ARG B 154 3.530 31.851 29.737 1.00 35.75 H new ATOM 0 HH22 ARG B 154 2.586 31.137 28.833 1.00 35.75 H new ATOM 2511 N LEU B 155 4.192 32.121 37.834 1.00 37.86 N ATOM 2512 CA LEU B 155 3.716 31.882 39.191 1.00 37.40 C ATOM 2513 C LEU B 155 2.849 33.068 39.609 1.00 36.46 C ATOM 2514 O LEU B 155 3.309 34.223 39.602 1.00 36.59 O ATOM 2515 CB LEU B 155 4.908 31.747 40.159 1.00 37.69 C ATOM 2516 CG LEU B 155 5.964 30.639 39.938 1.00 38.58 C ATOM 2517 CD1 LEU B 155 7.372 31.128 40.333 1.00 38.79 C ATOM 2518 CD2 LEU B 155 5.615 29.326 40.662 1.00 38.16 C ATOM 0 H LEU B 155 5.047 32.084 37.752 1.00 37.86 H new ATOM 0 HA LEU B 155 3.203 31.059 39.219 1.00 37.40 H new ATOM 0 HB2 LEU B 155 5.377 32.596 40.159 1.00 37.69 H new ATOM 0 HB3 LEU B 155 4.544 31.624 41.050 1.00 37.69 H new ATOM 0 HG LEU B 155 5.960 30.442 38.988 1.00 38.58 H new ATOM 0 HD11 LEU B 155 8.015 30.417 40.186 1.00 38.79 H new ATOM 0 HD12 LEU B 155 7.611 31.897 39.792 1.00 38.79 H new ATOM 0 HD13 LEU B 155 7.377 31.378 41.270 1.00 38.79 H new ATOM 0 HD21 LEU B 155 6.307 28.668 40.491 1.00 38.16 H new ATOM 0 HD22 LEU B 155 5.553 29.489 41.616 1.00 38.16 H new ATOM 0 HD23 LEU B 155 4.765 28.993 40.336 1.00 38.16 H new ATOM 2519 N SER B 156 1.605 32.770 39.962 1.00 34.71 N ATOM 2520 CA SER B 156 0.672 33.761 40.449 1.00 33.62 C ATOM 2521 C SER B 156 -0.193 33.032 41.415 1.00 32.51 C ATOM 2522 O SER B 156 -1.387 33.277 41.488 1.00 33.01 O ATOM 2523 CB SER B 156 -0.200 34.291 39.320 1.00 34.18 C ATOM 2524 OG SER B 156 -1.304 35.067 39.816 1.00 34.32 O ATOM 0 H SER B 156 1.280 31.975 39.923 1.00 34.71 H new ATOM 0 HA SER B 156 1.137 34.517 40.841 1.00 33.62 H new ATOM 0 HB2 SER B 156 0.338 34.837 38.725 1.00 34.18 H new ATOM 0 HB3 SER B 156 -0.537 33.548 38.796 1.00 34.18 H new ATOM 0 HG SER B 156 -1.452 34.863 40.617 1.00 34.32 H new ATOM 2525 N VAL B 157 0.408 32.096 42.129 1.00 31.13 N ATOM 2526 CA VAL B 157 -0.318 31.229 43.035 1.00 30.07 C ATOM 2527 C VAL B 157 0.392 31.118 44.355 1.00 29.08 C ATOM 2528 O VAL B 157 0.110 30.214 45.134 1.00 28.57 O ATOM 2529 CB VAL B 157 -0.408 29.823 42.465 1.00 29.85 C ATOM 2530 CG1 VAL B 157 -0.954 29.860 41.059 1.00 29.87 C ATOM 2531 CG2 VAL B 157 0.950 29.166 42.458 1.00 31.29 C ATOM 0 H VAL B 157 1.254 31.945 42.101 1.00 31.13 H new ATOM 0 HA VAL B 157 -1.200 31.615 43.153 1.00 30.07 H new ATOM 0 HB VAL B 157 -1.007 29.308 43.028 1.00 29.85 H new ATOM 0 HG11 VAL B 157 -1.006 28.957 40.708 1.00 29.87 H new ATOM 0 HG12 VAL B 157 -1.840 30.255 41.066 1.00 29.87 H new ATOM 0 HG13 VAL B 157 -0.368 30.391 40.498 1.00 29.87 H new ATOM 0 HG21 VAL B 157 0.875 28.271 42.092 1.00 31.29 H new ATOM 0 HG22 VAL B 157 1.559 29.688 41.913 1.00 31.29 H new ATOM 0 HG23 VAL B 157 1.290 29.116 43.365 1.00 31.29 H new ATOM 2532 N ALA B 158 1.319 32.034 44.602 1.00 28.21 N ATOM 2533 CA ALA B 158 2.123 32.000 45.815 1.00 27.69 C ATOM 2534 C ALA B 158 1.280 32.149 47.080 1.00 27.22 C ATOM 2535 O ALA B 158 1.717 31.812 48.155 1.00 28.10 O ATOM 2536 CB ALA B 158 3.181 33.077 45.769 1.00 27.41 C ATOM 0 H ALA B 158 1.499 32.689 44.075 1.00 28.21 H new ATOM 0 HA ALA B 158 2.545 31.128 45.852 1.00 27.69 H new ATOM 0 HB1 ALA B 158 3.711 33.046 46.581 1.00 27.41 H new ATOM 0 HB2 ALA B 158 3.757 32.932 45.002 1.00 27.41 H new ATOM 0 HB3 ALA B 158 2.756 33.946 45.694 1.00 27.41 H new ATOM 2537 N HIS B 159 0.076 32.659 46.992 1.00 26.16 N ATOM 2538 CA HIS B 159 -0.684 32.770 48.214 1.00 25.85 C ATOM 2539 C HIS B 159 -2.122 32.229 48.033 1.00 24.48 C ATOM 2540 O HIS B 159 -2.960 32.402 48.902 1.00 23.18 O ATOM 2541 CB HIS B 159 -0.714 34.215 48.686 1.00 26.20 C ATOM 2542 CG HIS B 159 0.605 34.754 49.149 1.00 28.72 C ATOM 2543 ND1 HIS B 159 1.725 34.787 48.349 1.00 33.00 N ATOM 2544 CD2 HIS B 159 0.963 35.359 50.311 1.00 30.74 C ATOM 2545 CE1 HIS B 159 2.727 35.342 49.011 1.00 32.12 C ATOM 2546 NE2 HIS B 159 2.284 35.712 50.200 1.00 31.37 N ATOM 0 H HIS B 159 -0.308 32.936 46.274 1.00 26.16 H new ATOM 0 HA HIS B 159 -0.247 32.228 48.890 1.00 25.85 H new ATOM 0 HB2 HIS B 159 -1.040 34.772 47.962 1.00 26.20 H new ATOM 0 HB3 HIS B 159 -1.353 34.291 49.412 1.00 26.20 H new ATOM 0 HD2 HIS B 159 0.414 35.507 51.047 1.00 30.74 H new ATOM 0 HE1 HIS B 159 3.594 35.453 48.694 1.00 32.12 H new ATOM 0 HE2 HIS B 159 2.748 36.109 50.805 1.00 31.37 H new ATOM 2547 N LYS B 160 -2.359 31.556 46.910 1.00 23.45 N ATOM 2548 CA LYS B 160 -3.661 31.022 46.566 1.00 23.24 C ATOM 2549 C LYS B 160 -3.677 29.510 46.667 1.00 22.68 C ATOM 2550 O LYS B 160 -4.727 28.920 46.954 1.00 23.92 O ATOM 2551 CB LYS B 160 -4.012 31.428 45.144 1.00 23.48 C ATOM 2552 CG LYS B 160 -5.366 30.956 44.668 1.00 22.99 C ATOM 2553 CD LYS B 160 -5.426 30.908 43.131 1.00 23.80 C ATOM 2554 CE LYS B 160 -5.340 32.300 42.465 1.00 24.25 C ATOM 2555 NZ LYS B 160 -3.947 32.874 42.387 1.00 24.22 N ATOM 0 H LYS B 160 -1.754 31.397 46.320 1.00 23.45 H new ATOM 0 HA LYS B 160 -4.311 31.380 47.191 1.00 23.24 H new ATOM 0 HB2 LYS B 160 -3.979 32.395 45.080 1.00 23.48 H new ATOM 0 HB3 LYS B 160 -3.333 31.081 44.545 1.00 23.48 H new ATOM 0 HG2 LYS B 160 -5.550 30.075 45.030 1.00 22.99 H new ATOM 0 HG3 LYS B 160 -6.055 31.550 45.003 1.00 22.99 H new ATOM 0 HD2 LYS B 160 -4.699 30.356 42.804 1.00 23.80 H new ATOM 0 HD3 LYS B 160 -6.253 30.479 42.860 1.00 23.80 H new ATOM 0 HE2 LYS B 160 -5.703 32.239 41.567 1.00 24.25 H new ATOM 0 HE3 LYS B 160 -5.904 32.917 42.958 1.00 24.25 H new ATOM 0 HZ1 LYS B 160 -3.795 33.174 41.563 1.00 24.22 H new ATOM 0 HZ2 LYS B 160 -3.869 33.545 42.966 1.00 24.22 H new ATOM 0 HZ3 LYS B 160 -3.353 32.241 42.586 1.00 24.22 H new ATOM 2556 N LEU B 161 -2.521 28.904 46.436 1.00 21.01 N ATOM 2557 CA LEU B 161 -2.312 27.474 46.509 1.00 20.25 C ATOM 2558 C LEU B 161 -1.103 27.250 47.421 1.00 19.75 C ATOM 2559 O LEU B 161 -0.264 28.138 47.610 1.00 20.60 O ATOM 2560 CB LEU B 161 -1.944 26.939 45.141 1.00 20.37 C ATOM 2561 CG LEU B 161 -3.005 26.779 44.071 1.00 22.23 C ATOM 2562 CD1 LEU B 161 -2.399 27.026 42.675 1.00 22.24 C ATOM 2563 CD2 LEU B 161 -3.607 25.375 44.156 1.00 23.55 C ATOM 0 H LEU B 161 -1.809 29.337 46.224 1.00 21.01 H new ATOM 0 HA LEU B 161 -3.113 27.033 46.832 1.00 20.25 H new ATOM 0 HB2 LEU B 161 -1.258 27.522 44.780 1.00 20.37 H new ATOM 0 HB3 LEU B 161 -1.536 26.069 45.273 1.00 20.37 H new ATOM 0 HG LEU B 161 -3.707 27.433 44.215 1.00 22.23 H new ATOM 0 HD11 LEU B 161 -3.087 26.921 42.000 1.00 22.24 H new ATOM 0 HD12 LEU B 161 -2.040 27.926 42.632 1.00 22.24 H new ATOM 0 HD13 LEU B 161 -1.688 26.387 42.513 1.00 22.24 H new ATOM 0 HD21 LEU B 161 -4.286 25.272 43.471 1.00 23.55 H new ATOM 0 HD22 LEU B 161 -2.909 24.715 44.021 1.00 23.55 H new ATOM 0 HD23 LEU B 161 -4.008 25.247 45.030 1.00 23.55 H new ATOM 2564 N PRO B 162 -0.979 26.076 47.994 1.00 18.43 N ATOM 2565 CA PRO B 162 0.131 25.809 48.875 1.00 17.61 C ATOM 2566 C PRO B 162 1.446 26.348 48.318 1.00 17.93 C ATOM 2567 O PRO B 162 1.661 26.422 47.101 1.00 18.28 O ATOM 2568 CB PRO B 162 0.100 24.299 48.952 1.00 17.84 C ATOM 2569 CG PRO B 162 -1.337 23.987 48.962 1.00 17.72 C ATOM 2570 CD PRO B 162 -1.898 24.926 47.923 1.00 18.76 C ATOM 0 HA PRO B 162 0.064 26.240 49.741 1.00 17.61 H new ATOM 0 HB2 PRO B 162 0.549 23.893 48.194 1.00 17.84 H new ATOM 0 HB3 PRO B 162 0.542 23.973 49.751 1.00 17.84 H new ATOM 0 HG2 PRO B 162 -1.504 23.059 48.735 1.00 17.72 H new ATOM 0 HG3 PRO B 162 -1.731 24.141 49.835 1.00 17.72 H new ATOM 0 HD2 PRO B 162 -1.904 24.524 47.040 1.00 18.76 H new ATOM 0 HD3 PRO B 162 -2.812 25.182 48.125 1.00 18.76 H new ATOM 2571 N LYS B 163 2.339 26.730 49.228 1.00 17.47 N ATOM 2572 CA LYS B 163 3.596 27.345 48.864 1.00 16.92 C ATOM 2573 C LYS B 163 4.422 26.381 48.048 1.00 16.82 C ATOM 2574 O LYS B 163 5.449 26.741 47.446 1.00 16.10 O ATOM 2575 CB LYS B 163 4.344 27.737 50.135 1.00 17.01 C ATOM 2576 CG LYS B 163 5.708 28.223 49.896 1.00 17.33 C ATOM 2577 CD LYS B 163 5.815 29.661 50.290 1.00 20.25 C ATOM 2578 CE LYS B 163 6.611 29.780 51.576 1.00 22.09 C ATOM 2579 NZ LYS B 163 6.064 28.884 52.635 1.00 22.04 N ATOM 0 H LYS B 163 2.226 26.636 50.075 1.00 17.47 H new ATOM 0 HA LYS B 163 3.431 28.138 48.330 1.00 16.92 H new ATOM 0 HB2 LYS B 163 3.841 28.426 50.596 1.00 17.01 H new ATOM 0 HB3 LYS B 163 4.383 26.969 50.727 1.00 17.01 H new ATOM 0 HG2 LYS B 163 6.342 27.693 50.404 1.00 17.33 H new ATOM 0 HG3 LYS B 163 5.937 28.119 48.959 1.00 17.33 H new ATOM 0 HD2 LYS B 163 6.246 30.168 49.584 1.00 20.25 H new ATOM 0 HD3 LYS B 163 4.930 30.039 50.411 1.00 20.25 H new ATOM 0 HE2 LYS B 163 7.539 29.555 51.407 1.00 22.09 H new ATOM 0 HE3 LYS B 163 6.594 30.699 51.886 1.00 22.09 H new ATOM 0 HZ1 LYS B 163 6.276 29.207 53.437 1.00 22.04 H new ATOM 0 HZ2 LYS B 163 5.178 28.840 52.559 1.00 22.04 H new ATOM 0 HZ3 LYS B 163 6.410 28.069 52.543 1.00 22.04 H new ATOM 2580 N ALA B 164 4.000 25.130 48.053 1.00 16.78 N ATOM 2581 CA ALA B 164 4.745 24.126 47.317 1.00 17.03 C ATOM 2582 C ALA B 164 4.668 24.377 45.820 1.00 16.56 C ATOM 2583 O ALA B 164 5.684 24.189 45.129 1.00 16.08 O ATOM 2584 CB ALA B 164 4.204 22.747 47.620 1.00 17.74 C ATOM 0 H ALA B 164 3.301 24.845 48.465 1.00 16.78 H new ATOM 0 HA ALA B 164 5.672 24.181 47.596 1.00 17.03 H new ATOM 0 HB1 ALA B 164 4.709 22.085 47.123 1.00 17.74 H new ATOM 0 HB2 ALA B 164 4.285 22.569 48.570 1.00 17.74 H new ATOM 0 HB3 ALA B 164 3.270 22.702 47.362 1.00 17.74 H new ATOM 2585 N TYR B 165 3.481 24.802 45.336 1.00 15.08 N ATOM 2586 CA TYR B 165 3.277 25.028 43.916 1.00 14.14 C ATOM 2587 C TYR B 165 3.976 26.255 43.408 1.00 15.02 C ATOM 2588 O TYR B 165 3.896 26.520 42.223 1.00 15.79 O ATOM 2589 CB TYR B 165 1.816 25.116 43.564 1.00 13.62 C ATOM 2590 CG TYR B 165 1.041 23.884 43.952 1.00 11.81 C ATOM 2591 CD1 TYR B 165 0.618 23.706 45.260 1.00 9.16 C ATOM 2592 CD2 TYR B 165 0.779 22.873 43.035 1.00 9.15 C ATOM 2593 CE1 TYR B 165 -0.024 22.596 45.651 1.00 6.81 C ATOM 2594 CE2 TYR B 165 0.131 21.753 43.432 1.00 9.32 C ATOM 2595 CZ TYR B 165 -0.281 21.630 44.744 1.00 8.52 C ATOM 2596 OH TYR B 165 -0.997 20.531 45.132 1.00 11.97 O ATOM 0 H TYR B 165 2.791 24.961 45.825 1.00 15.08 H new ATOM 0 HA TYR B 165 3.668 24.254 43.481 1.00 14.14 H new ATOM 0 HB2 TYR B 165 1.428 25.888 44.005 1.00 13.62 H new ATOM 0 HB3 TYR B 165 1.727 25.261 42.609 1.00 13.62 H new ATOM 0 HD1 TYR B 165 0.784 24.375 45.884 1.00 9.16 H new ATOM 0 HD2 TYR B 165 1.049 22.966 42.150 1.00 9.15 H new ATOM 0 HE1 TYR B 165 -0.289 22.493 46.536 1.00 6.81 H new ATOM 0 HE2 TYR B 165 -0.036 21.069 42.824 1.00 9.32 H new ATOM 0 HH TYR B 165 -1.180 20.590 45.950 1.00 11.97 H new ATOM 2597 N SER B 166 4.677 26.991 44.277 1.00 15.47 N ATOM 2598 CA SER B 166 5.437 28.176 43.873 1.00 15.53 C ATOM 2599 C SER B 166 6.869 27.999 44.301 1.00 15.83 C ATOM 2600 O SER B 166 7.595 28.966 44.516 1.00 16.30 O ATOM 2601 CB SER B 166 4.924 29.428 44.540 1.00 15.56 C ATOM 2602 OG SER B 166 5.277 29.392 45.912 1.00 16.39 O ATOM 0 H SER B 166 4.724 26.816 45.118 1.00 15.47 H new ATOM 0 HA SER B 166 5.348 28.269 42.912 1.00 15.53 H new ATOM 0 HB2 SER B 166 5.303 30.214 44.116 1.00 15.56 H new ATOM 0 HB3 SER B 166 3.961 29.490 44.443 1.00 15.56 H new ATOM 0 HG SER B 166 5.159 28.616 46.212 1.00 16.39 H new ATOM 2603 N THR B 167 7.275 26.747 44.424 1.00 15.72 N ATOM 2604 CA THR B 167 8.626 26.420 44.811 1.00 15.21 C ATOM 2605 C THR B 167 9.187 25.519 43.742 1.00 14.88 C ATOM 2606 O THR B 167 8.712 24.401 43.550 1.00 14.75 O ATOM 2607 CB THR B 167 8.622 25.654 46.148 1.00 15.48 C ATOM 2608 OG1 THR B 167 8.382 26.534 47.249 1.00 15.06 O ATOM 2609 CG2 THR B 167 9.965 25.147 46.471 1.00 17.05 C ATOM 0 H THR B 167 6.771 26.064 44.284 1.00 15.72 H new ATOM 0 HA THR B 167 9.153 27.228 44.913 1.00 15.21 H new ATOM 0 HB THR B 167 7.950 24.963 46.038 1.00 15.48 H new ATOM 0 HG1 THR B 167 7.554 26.622 47.362 1.00 15.06 H new ATOM 0 HG21 THR B 167 9.937 24.670 47.315 1.00 17.05 H new ATOM 0 HG22 THR B 167 10.261 24.546 45.770 1.00 17.05 H new ATOM 0 HG23 THR B 167 10.584 25.891 46.541 1.00 17.05 H new ATOM 2610 N GLY B 168 10.214 25.989 43.058 1.00 14.97 N ATOM 2611 CA GLY B 168 10.863 25.209 42.022 1.00 14.81 C ATOM 2612 C GLY B 168 11.107 23.808 42.518 1.00 14.87 C ATOM 2613 O GLY B 168 11.183 23.554 43.713 1.00 14.82 O ATOM 0 H GLY B 168 10.555 26.769 43.181 1.00 14.97 H new ATOM 0 HA2 GLY B 168 10.309 25.188 41.226 1.00 14.81 H new ATOM 0 HA3 GLY B 168 11.703 25.624 41.771 1.00 14.81 H new ATOM 2614 N PHE B 169 11.232 22.877 41.594 1.00 15.19 N ATOM 2615 CA PHE B 169 11.485 21.500 41.977 1.00 14.79 C ATOM 2616 C PHE B 169 12.958 21.276 42.052 1.00 14.77 C ATOM 2617 O PHE B 169 13.702 21.747 41.195 1.00 14.76 O ATOM 2618 CB PHE B 169 10.893 20.524 40.964 1.00 14.84 C ATOM 2619 CG PHE B 169 11.258 19.100 41.234 1.00 13.10 C ATOM 2620 CD1 PHE B 169 10.827 18.484 42.385 1.00 11.20 C ATOM 2621 CD2 PHE B 169 12.051 18.390 40.344 1.00 13.12 C ATOM 2622 CE1 PHE B 169 11.179 17.193 42.665 1.00 12.19 C ATOM 2623 CE2 PHE B 169 12.412 17.096 40.605 1.00 13.02 C ATOM 2624 CZ PHE B 169 11.975 16.493 41.777 1.00 13.99 C ATOM 0 H PHE B 169 11.175 23.016 40.747 1.00 15.19 H new ATOM 0 HA PHE B 169 11.067 21.344 42.839 1.00 14.79 H new ATOM 0 HB2 PHE B 169 9.927 20.610 40.967 1.00 14.84 H new ATOM 0 HB3 PHE B 169 11.196 20.766 40.075 1.00 14.84 H new ATOM 0 HD1 PHE B 169 10.288 18.952 42.981 1.00 11.20 H new ATOM 0 HD2 PHE B 169 12.341 18.798 39.560 1.00 13.12 H new ATOM 0 HE1 PHE B 169 10.885 16.788 43.449 1.00 12.19 H new ATOM 0 HE2 PHE B 169 12.944 16.626 40.004 1.00 13.02 H new ATOM 0 HZ PHE B 169 12.218 15.615 41.965 1.00 13.99 H new ATOM 2625 N ILE B 170 13.374 20.559 43.085 1.00 15.35 N ATOM 2626 CA ILE B 170 14.788 20.184 43.284 1.00 15.67 C ATOM 2627 C ILE B 170 14.916 18.663 43.304 1.00 16.34 C ATOM 2628 O ILE B 170 14.380 18.014 44.212 1.00 16.04 O ATOM 2629 CB ILE B 170 15.318 20.742 44.607 1.00 15.39 C ATOM 2630 CG1 ILE B 170 15.613 22.219 44.470 1.00 12.89 C ATOM 2631 CG2 ILE B 170 16.582 19.990 45.037 1.00 16.51 C ATOM 2632 CD1 ILE B 170 15.895 22.842 45.750 1.00 12.31 C ATOM 0 H ILE B 170 12.848 20.269 43.701 1.00 15.35 H new ATOM 0 HA ILE B 170 15.307 20.556 42.554 1.00 15.67 H new ATOM 0 HB ILE B 170 14.638 20.620 45.288 1.00 15.39 H new ATOM 0 HG12 ILE B 170 16.371 22.342 43.878 1.00 12.89 H new ATOM 0 HG13 ILE B 170 14.855 22.662 44.056 1.00 12.89 H new ATOM 0 HG21 ILE B 170 16.906 20.354 45.876 1.00 16.51 H new ATOM 0 HG22 ILE B 170 16.376 19.049 45.152 1.00 16.51 H new ATOM 0 HG23 ILE B 170 17.266 20.090 44.356 1.00 16.51 H new ATOM 0 HD11 ILE B 170 16.078 23.785 45.618 1.00 12.31 H new ATOM 0 HD12 ILE B 170 15.128 22.741 46.335 1.00 12.31 H new ATOM 0 HD13 ILE B 170 16.668 22.417 46.154 1.00 12.31 H new ATOM 2633 N GLY B 171 15.616 18.105 42.310 1.00 17.21 N ATOM 2634 CA GLY B 171 15.758 16.652 42.182 1.00 17.78 C ATOM 2635 C GLY B 171 15.790 16.195 40.726 1.00 18.10 C ATOM 2636 O GLY B 171 15.945 17.006 39.830 1.00 19.45 O ATOM 0 H GLY B 171 16.018 18.555 41.697 1.00 17.21 H new ATOM 0 HA2 GLY B 171 16.573 16.369 42.625 1.00 17.78 H new ATOM 0 HA3 GLY B 171 15.021 16.216 42.639 1.00 17.78 H new ATOM 2637 N CYS B 172 15.658 14.905 40.473 1.00 18.04 N ATOM 2638 CA CYS B 172 15.711 14.399 39.106 1.00 17.81 C ATOM 2639 C CYS B 172 14.354 14.001 38.607 1.00 17.28 C ATOM 2640 O CYS B 172 13.461 13.730 39.399 1.00 18.45 O ATOM 2641 CB CYS B 172 16.597 13.165 39.055 1.00 17.94 C ATOM 2642 SG CYS B 172 18.136 13.388 39.910 1.00 17.70 S ATOM 0 H CYS B 172 15.537 14.303 41.075 1.00 18.04 H new ATOM 0 HA CYS B 172 16.061 15.112 38.549 1.00 17.81 H new ATOM 0 HB2 CYS B 172 16.122 12.414 39.444 1.00 17.94 H new ATOM 0 HB3 CYS B 172 16.776 12.938 38.129 1.00 17.94 H new ATOM 2643 N ILE B 173 14.206 13.923 37.294 1.00 16.34 N ATOM 2644 CA ILE B 173 12.964 13.461 36.693 1.00 16.06 C ATOM 2645 C ILE B 173 13.304 12.664 35.422 1.00 15.43 C ATOM 2646 O ILE B 173 14.272 12.976 34.741 1.00 15.12 O ATOM 2647 CB ILE B 173 12.052 14.625 36.348 1.00 15.78 C ATOM 2648 CG1 ILE B 173 11.625 15.385 37.603 1.00 15.90 C ATOM 2649 CG2 ILE B 173 10.828 14.101 35.656 1.00 16.93 C ATOM 2650 CD1 ILE B 173 10.666 16.520 37.340 1.00 15.48 C ATOM 0 H ILE B 173 14.818 14.135 36.728 1.00 16.34 H new ATOM 0 HA ILE B 173 12.494 12.899 37.329 1.00 16.06 H new ATOM 0 HB ILE B 173 12.539 15.233 35.770 1.00 15.78 H new ATOM 0 HG12 ILE B 173 11.212 14.762 38.222 1.00 15.90 H new ATOM 0 HG13 ILE B 173 12.416 15.737 38.041 1.00 15.90 H new ATOM 0 HG21 ILE B 173 10.241 14.840 35.433 1.00 16.93 H new ATOM 0 HG22 ILE B 173 11.088 13.639 34.844 1.00 16.93 H new ATOM 0 HG23 ILE B 173 10.363 13.485 36.243 1.00 16.93 H new ATOM 0 HD11 ILE B 173 10.440 16.954 38.178 1.00 15.48 H new ATOM 0 HD12 ILE B 173 11.081 17.163 36.745 1.00 15.48 H new ATOM 0 HD13 ILE B 173 9.859 16.173 36.928 1.00 15.48 H new ATOM 2651 N ARG B 174 12.526 11.640 35.105 1.00 14.46 N ATOM 2652 CA ARG B 174 12.764 10.906 33.886 1.00 14.40 C ATOM 2653 C ARG B 174 11.595 10.077 33.415 1.00 14.17 C ATOM 2654 O ARG B 174 10.680 9.816 34.159 1.00 15.32 O ATOM 2655 CB ARG B 174 13.944 9.984 34.090 1.00 14.89 C ATOM 2656 CG ARG B 174 13.681 8.889 35.045 1.00 14.61 C ATOM 2657 CD ARG B 174 14.797 7.953 35.131 1.00 14.77 C ATOM 2658 NE ARG B 174 14.441 6.792 35.919 1.00 15.11 N ATOM 2659 CZ ARG B 174 15.323 6.001 36.487 1.00 16.42 C ATOM 2660 NH1 ARG B 174 16.624 6.259 36.383 1.00 16.89 N ATOM 2661 NH2 ARG B 174 14.905 4.956 37.175 1.00 18.26 N ATOM 0 H ARG B 174 11.865 11.360 35.578 1.00 14.46 H new ATOM 0 HA ARG B 174 12.927 11.573 33.201 1.00 14.40 H new ATOM 0 HB2 ARG B 174 14.199 9.603 33.235 1.00 14.89 H new ATOM 0 HB3 ARG B 174 14.700 10.504 34.406 1.00 14.89 H new ATOM 0 HG2 ARG B 174 13.506 9.263 35.923 1.00 14.61 H new ATOM 0 HG3 ARG B 174 12.881 8.412 34.775 1.00 14.61 H new ATOM 0 HD2 ARG B 174 15.060 7.675 34.240 1.00 14.77 H new ATOM 0 HD3 ARG B 174 15.564 8.395 35.528 1.00 14.77 H new ATOM 0 HE ARG B 174 13.607 6.610 36.021 1.00 15.11 H new ATOM 0 HH11 ARG B 174 16.892 6.947 35.942 1.00 16.89 H new ATOM 0 HH12 ARG B 174 17.197 5.738 36.757 1.00 16.89 H new ATOM 0 HH21 ARG B 174 14.063 4.798 37.248 1.00 18.26 H new ATOM 0 HH22 ARG B 174 15.475 4.432 37.550 1.00 18.26 H new ATOM 2662 N ASP B 175 11.655 9.617 32.184 1.00 14.09 N ATOM 2663 CA ASP B 175 10.580 8.825 31.577 1.00 14.41 C ATOM 2664 C ASP B 175 9.178 9.449 31.757 1.00 14.89 C ATOM 2665 O ASP B 175 8.230 8.781 32.134 1.00 15.23 O ATOM 2666 CB ASP B 175 10.582 7.379 32.099 1.00 13.83 C ATOM 2667 CG ASP B 175 11.990 6.829 32.388 1.00 14.42 C ATOM 2668 OD1 ASP B 175 12.966 7.112 31.643 1.00 14.70 O ATOM 2669 OD2 ASP B 175 12.211 6.065 33.355 1.00 13.94 O ATOM 0 H ASP B 175 12.325 9.751 31.662 1.00 14.09 H new ATOM 0 HA ASP B 175 10.769 8.821 30.626 1.00 14.41 H new ATOM 0 HB2 ASP B 175 10.053 7.336 32.911 1.00 13.83 H new ATOM 0 HB3 ASP B 175 10.147 6.807 31.447 1.00 13.83 H new ATOM 2670 N VAL B 176 9.037 10.732 31.490 1.00 15.47 N ATOM 2671 CA VAL B 176 7.734 11.351 31.620 1.00 15.79 C ATOM 2672 C VAL B 176 6.843 10.886 30.472 1.00 16.35 C ATOM 2673 O VAL B 176 7.197 10.948 29.296 1.00 15.34 O ATOM 2674 CB VAL B 176 7.774 12.893 31.593 1.00 15.74 C ATOM 2675 CG1 VAL B 176 6.392 13.475 31.866 1.00 15.76 C ATOM 2676 CG2 VAL B 176 8.726 13.421 32.621 1.00 16.44 C ATOM 0 H VAL B 176 9.670 11.256 31.236 1.00 15.47 H new ATOM 0 HA VAL B 176 7.390 11.082 32.486 1.00 15.79 H new ATOM 0 HB VAL B 176 8.071 13.158 30.709 1.00 15.74 H new ATOM 0 HG11 VAL B 176 6.439 14.444 31.845 1.00 15.76 H new ATOM 0 HG12 VAL B 176 5.771 13.167 31.188 1.00 15.76 H new ATOM 0 HG13 VAL B 176 6.086 13.186 32.740 1.00 15.76 H new ATOM 0 HG21 VAL B 176 8.735 14.390 32.586 1.00 16.44 H new ATOM 0 HG22 VAL B 176 8.443 13.132 33.503 1.00 16.44 H new ATOM 0 HG23 VAL B 176 9.617 13.083 32.441 1.00 16.44 H new ATOM 2677 N ILE B 177 5.656 10.437 30.834 1.00 17.57 N ATOM 2678 CA ILE B 177 4.707 9.987 29.854 1.00 18.17 C ATOM 2679 C ILE B 177 3.431 10.764 30.041 1.00 18.54 C ATOM 2680 O ILE B 177 2.790 10.659 31.073 1.00 18.90 O ATOM 2681 CB ILE B 177 4.467 8.513 30.014 1.00 18.21 C ATOM 2682 CG1 ILE B 177 5.720 7.742 29.672 1.00 18.35 C ATOM 2683 CG2 ILE B 177 3.387 8.072 29.075 1.00 19.76 C ATOM 2684 CD1 ILE B 177 5.512 6.245 29.658 1.00 18.39 C ATOM 0 H ILE B 177 5.384 10.387 31.648 1.00 17.57 H new ATOM 0 HA ILE B 177 5.047 10.136 28.958 1.00 18.17 H new ATOM 0 HB ILE B 177 4.210 8.344 30.934 1.00 18.21 H new ATOM 0 HG12 ILE B 177 6.040 8.026 28.802 1.00 18.35 H new ATOM 0 HG13 ILE B 177 6.413 7.961 30.315 1.00 18.35 H new ATOM 0 HG21 ILE B 177 3.235 7.120 29.181 1.00 19.76 H new ATOM 0 HG22 ILE B 177 2.569 8.554 29.273 1.00 19.76 H new ATOM 0 HG23 ILE B 177 3.657 8.256 28.162 1.00 19.76 H new ATOM 0 HD11 ILE B 177 6.346 5.804 29.433 1.00 18.39 H new ATOM 0 HD12 ILE B 177 5.217 5.951 30.534 1.00 18.39 H new ATOM 0 HD13 ILE B 177 4.839 6.018 28.998 1.00 18.39 H new ATOM 2685 N VAL B 178 3.066 11.533 29.024 1.00 19.01 N ATOM 2686 CA VAL B 178 1.876 12.367 29.057 1.00 19.14 C ATOM 2687 C VAL B 178 0.880 11.931 28.009 1.00 19.27 C ATOM 2688 O VAL B 178 1.203 11.854 26.829 1.00 18.34 O ATOM 2689 CB VAL B 178 2.253 13.787 28.721 1.00 19.46 C ATOM 2690 CG1 VAL B 178 1.178 14.735 29.170 1.00 19.82 C ATOM 2691 CG2 VAL B 178 3.583 14.123 29.350 1.00 19.69 C ATOM 0 H VAL B 178 3.508 11.585 28.288 1.00 19.01 H new ATOM 0 HA VAL B 178 1.490 12.292 29.944 1.00 19.14 H new ATOM 0 HB VAL B 178 2.340 13.878 27.759 1.00 19.46 H new ATOM 0 HG11 VAL B 178 1.434 15.644 28.947 1.00 19.82 H new ATOM 0 HG12 VAL B 178 0.345 14.516 28.723 1.00 19.82 H new ATOM 0 HG13 VAL B 178 1.059 14.659 30.130 1.00 19.82 H new ATOM 0 HG21 VAL B 178 3.823 15.037 29.132 1.00 19.69 H new ATOM 0 HG22 VAL B 178 3.519 14.027 30.313 1.00 19.69 H new ATOM 0 HG23 VAL B 178 4.263 13.521 29.010 1.00 19.69 H new ATOM 2692 N ASP B 179 -0.344 11.673 28.455 1.00 20.67 N ATOM 2693 CA ASP B 179 -1.470 11.243 27.593 1.00 21.33 C ATOM 2694 C ASP B 179 -1.073 10.113 26.624 1.00 21.99 C ATOM 2695 O ASP B 179 -1.394 10.173 25.441 1.00 22.62 O ATOM 2696 CB ASP B 179 -2.028 12.441 26.809 1.00 20.76 C ATOM 2697 CG ASP B 179 -2.610 13.546 27.722 1.00 22.67 C ATOM 2698 OD1 ASP B 179 -2.447 14.758 27.394 1.00 23.68 O ATOM 2699 OD2 ASP B 179 -3.264 13.314 28.777 1.00 22.66 O ATOM 0 H ASP B 179 -0.559 11.741 29.285 1.00 20.67 H new ATOM 0 HA ASP B 179 -2.158 10.890 28.179 1.00 21.33 H new ATOM 0 HB2 ASP B 179 -1.322 12.820 26.262 1.00 20.76 H new ATOM 0 HB3 ASP B 179 -2.720 12.131 26.204 1.00 20.76 H new ATOM 2700 N ARG B 180 -0.380 9.092 27.121 1.00 22.42 N ATOM 2701 CA ARG B 180 0.054 7.972 26.292 1.00 23.00 C ATOM 2702 C ARG B 180 1.183 8.314 25.328 1.00 22.87 C ATOM 2703 O ARG B 180 1.441 7.583 24.380 1.00 22.76 O ATOM 2704 CB ARG B 180 -1.124 7.397 25.504 1.00 23.23 C ATOM 2705 CG ARG B 180 -2.332 7.153 26.342 1.00 25.29 C ATOM 2706 CD ARG B 180 -2.056 6.276 27.540 1.00 28.06 C ATOM 2707 NE ARG B 180 -3.271 5.917 28.264 1.00 31.00 N ATOM 2708 CZ ARG B 180 -3.282 5.191 29.369 1.00 32.56 C ATOM 2709 NH1 ARG B 180 -4.430 4.916 29.986 1.00 33.67 N ATOM 2710 NH2 ARG B 180 -2.139 4.731 29.854 1.00 32.74 N ATOM 0 H ARG B 180 -0.149 9.029 27.947 1.00 22.42 H new ATOM 0 HA ARG B 180 0.403 7.313 26.912 1.00 23.00 H new ATOM 0 HB2 ARG B 180 -1.354 8.008 24.787 1.00 23.23 H new ATOM 0 HB3 ARG B 180 -0.852 6.563 25.090 1.00 23.23 H new ATOM 0 HG2 ARG B 180 -2.685 8.004 26.646 1.00 25.29 H new ATOM 0 HG3 ARG B 180 -3.019 6.739 25.796 1.00 25.29 H new ATOM 0 HD2 ARG B 180 -1.607 5.467 27.248 1.00 28.06 H new ATOM 0 HD3 ARG B 180 -1.450 6.736 28.141 1.00 28.06 H new ATOM 0 HE ARG B 180 -4.024 6.194 27.954 1.00 31.00 H new ATOM 0 HH11 ARG B 180 -5.172 5.211 29.666 1.00 33.67 H new ATOM 0 HH12 ARG B 180 -4.430 4.443 30.704 1.00 33.67 H new ATOM 0 HH21 ARG B 180 -1.400 4.905 29.451 1.00 32.74 H new ATOM 0 HH22 ARG B 180 -2.136 4.258 30.572 1.00 32.74 H new ATOM 2711 N GLN B 181 1.876 9.413 25.572 1.00 23.28 N ATOM 2712 CA GLN B 181 2.990 9.807 24.708 1.00 23.28 C ATOM 2713 C GLN B 181 4.194 10.166 25.562 1.00 23.07 C ATOM 2714 O GLN B 181 4.093 10.974 26.472 1.00 23.12 O ATOM 2715 CB GLN B 181 2.577 10.995 23.842 1.00 23.62 C ATOM 2716 CG GLN B 181 3.633 11.500 22.877 1.00 23.94 C ATOM 2717 CD GLN B 181 3.635 10.758 21.568 1.00 25.36 C ATOM 2718 OE1 GLN B 181 2.614 10.728 20.875 1.00 26.41 O ATOM 2719 NE2 GLN B 181 4.783 10.171 21.205 1.00 25.74 N ATOM 0 H GLN B 181 1.723 9.947 26.229 1.00 23.28 H new ATOM 0 HA GLN B 181 3.227 9.067 24.127 1.00 23.28 H new ATOM 0 HB2 GLN B 181 1.789 10.746 23.333 1.00 23.62 H new ATOM 0 HB3 GLN B 181 2.319 11.726 24.425 1.00 23.62 H new ATOM 0 HG2 GLN B 181 3.485 12.444 22.708 1.00 23.94 H new ATOM 0 HG3 GLN B 181 4.507 11.419 23.290 1.00 23.94 H new ATOM 0 HE21 GLN B 181 5.471 10.217 21.719 1.00 25.74 H new ATOM 0 HE22 GLN B 181 4.832 9.748 20.458 1.00 25.74 H new ATOM 2720 N GLU B 182 5.334 9.547 25.292 1.00 23.27 N ATOM 2721 CA GLU B 182 6.538 9.835 26.064 1.00 23.39 C ATOM 2722 C GLU B 182 6.960 11.269 25.875 1.00 23.66 C ATOM 2723 O GLU B 182 6.842 11.793 24.766 1.00 24.39 O ATOM 2724 CB GLU B 182 7.691 8.938 25.633 1.00 23.20 C ATOM 2725 CG GLU B 182 8.921 9.115 26.497 1.00 22.85 C ATOM 2726 CD GLU B 182 10.129 8.391 25.963 1.00 23.32 C ATOM 2727 OE1 GLU B 182 11.224 8.564 26.558 1.00 24.02 O ATOM 2728 OE2 GLU B 182 9.994 7.668 24.952 1.00 22.52 O ATOM 0 H GLU B 182 5.434 8.961 24.671 1.00 23.27 H new ATOM 0 HA GLU B 182 6.327 9.670 26.996 1.00 23.39 H new ATOM 0 HB2 GLU B 182 7.406 8.011 25.668 1.00 23.20 H new ATOM 0 HB3 GLU B 182 7.918 9.130 24.710 1.00 23.20 H new ATOM 0 HG2 GLU B 182 9.124 10.061 26.571 1.00 22.85 H new ATOM 0 HG3 GLU B 182 8.729 8.795 27.392 1.00 22.85 H new ATOM 2729 N LEU B 183 7.485 11.893 26.933 1.00 23.51 N ATOM 2730 CA LEU B 183 8.004 13.265 26.831 1.00 22.97 C ATOM 2731 C LEU B 183 9.522 13.218 26.679 1.00 22.74 C ATOM 2732 O LEU B 183 10.194 12.472 27.388 1.00 22.19 O ATOM 2733 CB LEU B 183 7.629 14.082 28.061 1.00 22.74 C ATOM 2734 CG LEU B 183 7.712 15.607 27.982 1.00 22.33 C ATOM 2735 CD1 LEU B 183 7.053 16.121 26.733 1.00 22.33 C ATOM 2736 CD2 LEU B 183 7.061 16.261 29.211 1.00 21.66 C ATOM 0 H LEU B 183 7.551 11.543 27.716 1.00 23.51 H new ATOM 0 HA LEU B 183 7.609 13.692 26.055 1.00 22.97 H new ATOM 0 HB2 LEU B 183 6.719 13.849 28.303 1.00 22.74 H new ATOM 0 HB3 LEU B 183 8.199 13.794 28.791 1.00 22.74 H new ATOM 0 HG LEU B 183 8.653 15.843 27.961 1.00 22.33 H new ATOM 0 HD11 LEU B 183 7.119 17.088 26.707 1.00 22.33 H new ATOM 0 HD12 LEU B 183 7.495 15.746 25.956 1.00 22.33 H new ATOM 0 HD13 LEU B 183 6.119 15.861 26.729 1.00 22.33 H new ATOM 0 HD21 LEU B 183 7.127 17.226 29.137 1.00 21.66 H new ATOM 0 HD22 LEU B 183 6.127 16.003 29.258 1.00 21.66 H new ATOM 0 HD23 LEU B 183 7.518 15.967 30.014 1.00 21.66 H new ATOM 2737 N HIS B 184 10.041 14.003 25.736 1.00 22.80 N ATOM 2738 CA HIS B 184 11.477 14.113 25.494 1.00 22.69 C ATOM 2739 C HIS B 184 11.966 15.357 26.163 1.00 22.26 C ATOM 2740 O HIS B 184 12.095 16.389 25.537 1.00 22.45 O ATOM 2741 CB HIS B 184 11.771 14.121 23.997 1.00 22.72 C ATOM 2742 CG HIS B 184 11.304 12.877 23.309 1.00 23.84 C ATOM 2743 ND1 HIS B 184 10.036 12.750 22.789 1.00 24.68 N ATOM 2744 CD2 HIS B 184 11.905 11.674 23.128 1.00 24.35 C ATOM 2745 CE1 HIS B 184 9.885 11.535 22.290 1.00 25.60 C ATOM 2746 NE2 HIS B 184 11.008 10.865 22.476 1.00 24.59 N ATOM 0 H HIS B 184 9.563 14.491 25.214 1.00 22.80 H new ATOM 0 HA HIS B 184 11.943 13.347 25.864 1.00 22.69 H new ATOM 0 HB2 HIS B 184 11.342 14.891 23.591 1.00 22.72 H new ATOM 0 HB3 HIS B 184 12.726 14.223 23.859 1.00 22.72 H new ATOM 0 HD2 HIS B 184 12.765 11.441 23.396 1.00 24.35 H new ATOM 0 HE1 HIS B 184 9.118 11.208 21.878 1.00 25.60 H new ATOM 0 HE2 HIS B 184 11.153 10.054 22.229 1.00 24.59 H new ATOM 2747 N LEU B 185 12.185 15.237 27.468 1.00 22.19 N ATOM 2748 CA LEU B 185 12.651 16.318 28.342 1.00 22.16 C ATOM 2749 C LEU B 185 13.518 17.376 27.685 1.00 21.76 C ATOM 2750 O LEU B 185 13.177 18.544 27.712 1.00 22.32 O ATOM 2751 CB LEU B 185 13.384 15.744 29.551 1.00 22.19 C ATOM 2752 CG LEU B 185 12.546 14.750 30.354 1.00 22.74 C ATOM 2753 CD1 LEU B 185 13.319 14.274 31.558 1.00 23.27 C ATOM 2754 CD2 LEU B 185 11.198 15.325 30.769 1.00 23.31 C ATOM 0 H LEU B 185 12.063 14.497 27.888 1.00 22.19 H new ATOM 0 HA LEU B 185 11.839 16.779 28.604 1.00 22.16 H new ATOM 0 HB2 LEU B 185 14.195 15.304 29.250 1.00 22.19 H new ATOM 0 HB3 LEU B 185 13.655 16.472 30.132 1.00 22.19 H new ATOM 0 HG LEU B 185 12.359 13.994 29.775 1.00 22.74 H new ATOM 0 HD11 LEU B 185 12.779 13.644 32.061 1.00 23.27 H new ATOM 0 HD12 LEU B 185 14.136 13.839 31.267 1.00 23.27 H new ATOM 0 HD13 LEU B 185 13.540 15.032 32.122 1.00 23.27 H new ATOM 0 HD21 LEU B 185 10.704 14.660 31.274 1.00 23.31 H new ATOM 0 HD22 LEU B 185 11.337 16.111 31.320 1.00 23.31 H new ATOM 0 HD23 LEU B 185 10.693 15.570 29.978 1.00 23.31 H new ATOM 2755 N VAL B 186 14.628 16.980 27.097 1.00 21.30 N ATOM 2756 CA VAL B 186 15.516 17.939 26.452 1.00 21.04 C ATOM 2757 C VAL B 186 14.907 18.387 25.122 1.00 20.58 C ATOM 2758 O VAL B 186 14.392 19.485 24.995 1.00 20.89 O ATOM 2759 CB VAL B 186 16.952 17.325 26.194 1.00 21.30 C ATOM 2760 CG1 VAL B 186 18.008 18.406 26.100 1.00 20.50 C ATOM 2761 CG2 VAL B 186 17.352 16.317 27.269 1.00 21.08 C ATOM 0 H VAL B 186 14.891 16.162 27.057 1.00 21.30 H new ATOM 0 HA VAL B 186 15.617 18.698 27.047 1.00 21.04 H new ATOM 0 HB VAL B 186 16.897 16.859 25.345 1.00 21.30 H new ATOM 0 HG11 VAL B 186 18.874 17.999 25.942 1.00 20.50 H new ATOM 0 HG12 VAL B 186 17.794 19.005 25.368 1.00 20.50 H new ATOM 0 HG13 VAL B 186 18.033 18.907 26.930 1.00 20.50 H new ATOM 0 HG21 VAL B 186 18.235 15.967 27.072 1.00 21.08 H new ATOM 0 HG22 VAL B 186 17.363 16.754 28.135 1.00 21.08 H new ATOM 0 HG23 VAL B 186 16.712 15.588 27.284 1.00 21.08 H new ATOM 2762 N GLU B 187 14.955 17.509 24.139 1.00 19.96 N ATOM 2763 CA GLU B 187 14.461 17.780 22.799 1.00 19.85 C ATOM 2764 C GLU B 187 13.154 18.615 22.677 1.00 19.13 C ATOM 2765 O GLU B 187 13.091 19.606 21.950 1.00 18.18 O ATOM 2766 CB GLU B 187 14.316 16.442 22.097 1.00 19.94 C ATOM 2767 CG GLU B 187 15.547 15.553 22.239 1.00 21.70 C ATOM 2768 CD GLU B 187 15.716 14.867 23.606 1.00 23.35 C ATOM 2769 OE1 GLU B 187 16.793 14.239 23.811 1.00 26.14 O ATOM 2770 OE2 GLU B 187 14.815 14.932 24.471 1.00 20.65 O ATOM 0 H GLU B 187 15.283 16.719 24.231 1.00 19.96 H new ATOM 0 HA GLU B 187 15.114 18.363 22.381 1.00 19.85 H new ATOM 0 HB2 GLU B 187 13.545 15.976 22.457 1.00 19.94 H new ATOM 0 HB3 GLU B 187 14.141 16.595 21.155 1.00 19.94 H new ATOM 0 HG2 GLU B 187 15.513 14.868 21.553 1.00 21.70 H new ATOM 0 HG3 GLU B 187 16.336 16.090 22.064 1.00 21.70 H new ATOM 2771 N ASP B 188 12.116 18.228 23.393 1.00 19.20 N ATOM 2772 CA ASP B 188 10.822 18.941 23.292 1.00 19.59 C ATOM 2773 C ASP B 188 10.674 20.228 24.098 1.00 19.03 C ATOM 2774 O ASP B 188 9.783 20.994 23.863 1.00 17.91 O ATOM 2775 CB ASP B 188 9.693 18.007 23.670 1.00 19.86 C ATOM 2776 CG ASP B 188 9.661 16.810 22.807 1.00 20.84 C ATOM 2777 OD1 ASP B 188 8.819 15.918 23.034 1.00 21.67 O ATOM 2778 OD2 ASP B 188 10.477 16.693 21.875 1.00 23.33 O ATOM 0 H ASP B 188 12.123 17.565 23.941 1.00 19.20 H new ATOM 0 HA ASP B 188 10.788 19.221 22.364 1.00 19.59 H new ATOM 0 HB2 ASP B 188 9.794 17.736 24.596 1.00 19.86 H new ATOM 0 HB3 ASP B 188 8.847 18.477 23.602 1.00 19.86 H new ATOM 2779 N ALA B 189 11.571 20.484 25.023 1.00 19.73 N ATOM 2780 CA ALA B 189 11.470 21.684 25.798 1.00 20.33 C ATOM 2781 C ALA B 189 11.289 22.817 24.799 1.00 21.09 C ATOM 2782 O ALA B 189 11.861 22.780 23.703 1.00 21.09 O ATOM 2783 CB ALA B 189 12.728 21.883 26.638 1.00 20.19 C ATOM 0 H ALA B 189 12.240 19.978 25.214 1.00 19.73 H new ATOM 0 HA ALA B 189 10.726 21.648 26.419 1.00 20.33 H new ATOM 0 HB1 ALA B 189 12.645 22.698 27.157 1.00 20.19 H new ATOM 0 HB2 ALA B 189 12.840 21.129 27.238 1.00 20.19 H new ATOM 0 HB3 ALA B 189 13.500 21.949 26.054 1.00 20.19 H new ATOM 2784 N LEU B 190 10.504 23.818 25.181 1.00 21.85 N ATOM 2785 CA LEU B 190 10.251 24.959 24.316 1.00 22.69 C ATOM 2786 C LEU B 190 11.012 26.244 24.645 1.00 23.31 C ATOM 2787 O LEU B 190 10.997 27.168 23.829 1.00 23.43 O ATOM 2788 CB LEU B 190 8.760 25.277 24.296 1.00 23.06 C ATOM 2789 CG LEU B 190 7.975 24.540 23.218 1.00 23.32 C ATOM 2790 CD1 LEU B 190 6.497 24.767 23.349 1.00 22.00 C ATOM 2791 CD2 LEU B 190 8.463 24.966 21.863 1.00 24.34 C ATOM 0 H LEU B 190 10.107 23.854 25.943 1.00 21.85 H new ATOM 0 HA LEU B 190 10.583 24.672 23.451 1.00 22.69 H new ATOM 0 HB2 LEU B 190 8.382 25.059 25.162 1.00 23.06 H new ATOM 0 HB3 LEU B 190 8.645 26.232 24.169 1.00 23.06 H new ATOM 0 HG LEU B 190 8.125 23.588 23.329 1.00 23.32 H new ATOM 0 HD11 LEU B 190 6.032 24.284 22.648 1.00 22.00 H new ATOM 0 HD12 LEU B 190 6.196 24.449 24.215 1.00 22.00 H new ATOM 0 HD13 LEU B 190 6.307 25.715 23.269 1.00 22.00 H new ATOM 0 HD21 LEU B 190 7.963 24.497 21.177 1.00 24.34 H new ATOM 0 HD22 LEU B 190 8.336 25.922 21.759 1.00 24.34 H new ATOM 0 HD23 LEU B 190 9.406 24.755 21.777 1.00 24.34 H new ATOM 2792 N ASN B 191 11.678 26.319 25.800 1.00 23.92 N ATOM 2793 CA ASN B 191 12.378 27.563 26.200 1.00 24.33 C ATOM 2794 C ASN B 191 13.916 27.562 26.137 1.00 24.78 C ATOM 2795 O ASN B 191 14.585 28.539 26.503 1.00 24.21 O ATOM 2796 CB ASN B 191 11.939 27.984 27.602 1.00 24.27 C ATOM 2797 CG ASN B 191 11.786 26.820 28.543 1.00 23.77 C ATOM 2798 OD1 ASN B 191 12.613 25.895 28.592 1.00 20.38 O ATOM 2799 ND2 ASN B 191 10.705 26.849 29.297 1.00 25.45 N ATOM 0 H ASN B 191 11.741 25.674 26.365 1.00 23.92 H new ATOM 0 HA ASN B 191 12.108 28.198 25.518 1.00 24.33 H new ATOM 0 HB2 ASN B 191 12.589 28.605 27.966 1.00 24.27 H new ATOM 0 HB3 ASN B 191 11.095 28.459 27.543 1.00 24.27 H new ATOM 0 HD21 ASN B 191 10.550 26.210 29.851 1.00 25.45 H new ATOM 0 HD22 ASN B 191 10.155 27.507 29.235 1.00 25.45 H new ATOM 2800 N ASN B 192 14.477 26.459 25.668 1.00 25.43 N ATOM 2801 CA ASN B 192 15.913 26.358 25.559 1.00 25.48 C ATOM 2802 C ASN B 192 16.591 26.471 26.922 1.00 25.91 C ATOM 2803 O ASN B 192 17.581 27.162 27.063 1.00 26.99 O ATOM 2804 CB ASN B 192 16.419 27.444 24.628 1.00 25.03 C ATOM 2805 CG ASN B 192 17.855 27.265 24.293 1.00 26.45 C ATOM 2806 OD1 ASN B 192 18.321 26.020 24.353 1.00 29.98 O flip ATOM 2807 ND2 ASN B 192 18.573 28.237 24.015 1.00 26.32 N flip ATOM 0 H ASN B 192 14.043 25.763 25.410 1.00 25.43 H new ATOM 0 HA ASN B 192 16.133 25.485 25.199 1.00 25.48 H new ATOM 0 HB2 ASN B 192 15.894 27.440 23.812 1.00 25.03 H new ATOM 0 HB3 ASN B 192 16.290 28.311 25.044 1.00 25.03 H new ATOM 0 HD21 ASN B 192 18.235 29.027 23.986 1.00 26.32 H new ATOM 0 HD22 ASN B 192 19.409 28.121 23.851 1.00 26.32 H new ATOM 2808 N PRO B 193 16.112 25.762 27.928 1.00 26.12 N ATOM 2809 CA PRO B 193 16.690 25.872 29.265 1.00 26.24 C ATOM 2810 C PRO B 193 18.035 25.147 29.393 1.00 26.29 C ATOM 2811 O PRO B 193 18.336 24.249 28.591 1.00 26.67 O ATOM 2812 CB PRO B 193 15.645 25.188 30.123 1.00 26.28 C ATOM 2813 CG PRO B 193 15.123 24.151 29.231 1.00 26.52 C ATOM 2814 CD PRO B 193 15.003 24.800 27.903 1.00 26.48 C ATOM 0 HA PRO B 193 16.881 26.791 29.509 1.00 26.24 H new ATOM 0 HB2 PRO B 193 16.032 24.809 30.928 1.00 26.28 H new ATOM 0 HB3 PRO B 193 14.951 25.804 30.404 1.00 26.28 H new ATOM 0 HG2 PRO B 193 15.720 23.388 29.195 1.00 26.52 H new ATOM 0 HG3 PRO B 193 14.263 23.824 29.540 1.00 26.52 H new ATOM 0 HD2 PRO B 193 15.093 24.162 27.178 1.00 26.48 H new ATOM 0 HD3 PRO B 193 14.145 25.238 27.790 1.00 26.48 H new ATOM 2815 N THR B 194 18.827 25.534 30.394 1.00 25.74 N ATOM 2816 CA THR B 194 20.139 24.932 30.618 1.00 25.27 C ATOM 2817 C THR B 194 19.979 23.525 31.169 1.00 24.56 C ATOM 2818 O THR B 194 19.287 23.318 32.169 1.00 24.80 O ATOM 2819 CB THR B 194 20.980 25.771 31.595 1.00 25.18 C ATOM 2820 OG1 THR B 194 21.227 27.067 31.047 1.00 25.67 O ATOM 2821 CG2 THR B 194 22.369 25.182 31.734 1.00 25.63 C ATOM 0 H THR B 194 18.619 26.149 30.958 1.00 25.74 H new ATOM 0 HA THR B 194 20.600 24.900 29.765 1.00 25.27 H new ATOM 0 HB THR B 194 20.490 25.795 32.432 1.00 25.18 H new ATOM 0 HG1 THR B 194 21.685 27.518 31.588 1.00 25.67 H new ATOM 0 HG21 THR B 194 22.888 25.720 32.352 1.00 25.63 H new ATOM 0 HG22 THR B 194 22.304 24.275 32.071 1.00 25.63 H new ATOM 0 HG23 THR B 194 22.805 25.174 30.868 1.00 25.63 H new ATOM 2822 N ILE B 195 20.636 22.575 30.507 1.00 23.46 N ATOM 2823 CA ILE B 195 20.546 21.173 30.848 1.00 22.80 C ATOM 2824 C ILE B 195 21.672 20.627 31.700 1.00 22.42 C ATOM 2825 O ILE B 195 22.824 20.961 31.514 1.00 23.13 O ATOM 2826 CB ILE B 195 20.416 20.378 29.542 1.00 22.76 C ATOM 2827 CG1 ILE B 195 19.100 20.798 28.860 1.00 22.96 C ATOM 2828 CG2 ILE B 195 20.470 18.853 29.799 1.00 21.74 C ATOM 2829 CD1 ILE B 195 17.866 20.754 29.789 1.00 22.12 C ATOM 0 H ILE B 195 21.152 22.737 29.838 1.00 23.46 H new ATOM 0 HA ILE B 195 19.765 21.074 31.415 1.00 22.80 H new ATOM 0 HB ILE B 195 21.164 20.576 28.957 1.00 22.76 H new ATOM 0 HG12 ILE B 195 19.200 21.698 28.513 1.00 22.96 H new ATOM 0 HG13 ILE B 195 18.941 20.217 28.100 1.00 22.96 H new ATOM 0 HG21 ILE B 195 20.385 18.379 28.957 1.00 21.74 H new ATOM 0 HG22 ILE B 195 21.316 18.624 30.214 1.00 21.74 H new ATOM 0 HG23 ILE B 195 19.742 18.598 30.387 1.00 21.74 H new ATOM 0 HD11 ILE B 195 17.078 21.030 29.294 1.00 22.12 H new ATOM 0 HD12 ILE B 195 17.741 19.850 30.118 1.00 22.12 H new ATOM 0 HD13 ILE B 195 18.003 21.355 30.538 1.00 22.12 H new ATOM 2830 N LEU B 196 21.311 19.768 32.639 1.00 22.14 N ATOM 2831 CA LEU B 196 22.250 19.125 33.527 1.00 22.01 C ATOM 2832 C LEU B 196 21.685 17.756 33.928 1.00 21.94 C ATOM 2833 O LEU B 196 20.701 17.685 34.636 1.00 21.44 O ATOM 2834 CB LEU B 196 22.428 19.993 34.763 1.00 22.12 C ATOM 2835 CG LEU B 196 23.849 20.322 35.220 1.00 22.61 C ATOM 2836 CD1 LEU B 196 23.783 21.016 36.581 1.00 22.11 C ATOM 2837 CD2 LEU B 196 24.758 19.082 35.267 1.00 22.48 C ATOM 0 H LEU B 196 20.494 19.540 32.778 1.00 22.14 H new ATOM 0 HA LEU B 196 23.108 19.007 33.090 1.00 22.01 H new ATOM 0 HB2 LEU B 196 21.967 20.831 34.604 1.00 22.12 H new ATOM 0 HB3 LEU B 196 21.974 19.555 35.500 1.00 22.12 H new ATOM 0 HG LEU B 196 24.250 20.918 34.568 1.00 22.61 H new ATOM 0 HD11 LEU B 196 24.681 21.229 36.880 1.00 22.11 H new ATOM 0 HD12 LEU B 196 23.266 21.833 36.503 1.00 22.11 H new ATOM 0 HD13 LEU B 196 23.360 20.427 37.225 1.00 22.11 H new ATOM 0 HD21 LEU B 196 25.645 19.342 35.561 1.00 22.48 H new ATOM 0 HD22 LEU B 196 24.389 18.433 35.887 1.00 22.48 H new ATOM 0 HD23 LEU B 196 24.814 18.688 34.382 1.00 22.48 H new ATOM 2838 N HIS B 197 22.309 16.666 33.496 1.00 22.23 N ATOM 2839 CA HIS B 197 21.776 15.336 33.793 1.00 22.44 C ATOM 2840 C HIS B 197 22.144 14.795 35.163 1.00 22.02 C ATOM 2841 O HIS B 197 23.198 15.075 35.682 1.00 21.84 O ATOM 2842 CB HIS B 197 22.286 14.321 32.771 1.00 22.60 C ATOM 2843 CG HIS B 197 21.979 14.674 31.356 1.00 24.06 C ATOM 2844 ND1 HIS B 197 22.631 15.688 30.682 1.00 24.50 N ATOM 2845 CD2 HIS B 197 21.101 14.130 30.475 1.00 25.68 C ATOM 2846 CE1 HIS B 197 22.155 15.759 29.449 1.00 26.84 C ATOM 2847 NE2 HIS B 197 21.225 14.827 29.298 1.00 26.46 N ATOM 0 H HIS B 197 23.035 16.671 33.034 1.00 22.23 H new ATOM 0 HA HIS B 197 20.813 15.450 33.762 1.00 22.44 H new ATOM 0 HB2 HIS B 197 23.247 14.231 32.871 1.00 22.60 H new ATOM 0 HB3 HIS B 197 21.898 13.454 32.969 1.00 22.60 H new ATOM 0 HD2 HIS B 197 20.524 13.419 30.638 1.00 25.68 H new ATOM 0 HE1 HIS B 197 22.428 16.363 28.797 1.00 26.84 H new ATOM 0 HE2 HIS B 197 20.773 14.682 28.581 1.00 26.46 H new ATOM 2848 N CYS B 198 21.268 13.990 35.740 1.00 21.79 N ATOM 2849 CA CYS B 198 21.606 13.285 36.964 1.00 21.64 C ATOM 2850 C CYS B 198 22.339 12.047 36.475 1.00 21.51 C ATOM 2851 O CYS B 198 21.990 11.503 35.442 1.00 21.41 O ATOM 2852 CB CYS B 198 20.363 12.871 37.729 1.00 21.24 C ATOM 2853 SG CYS B 198 19.469 14.201 38.568 1.00 22.53 S ATOM 0 H CYS B 198 20.476 13.838 35.441 1.00 21.79 H new ATOM 0 HA CYS B 198 22.127 13.836 37.568 1.00 21.64 H new ATOM 0 HB2 CYS B 198 19.755 12.436 37.111 1.00 21.24 H new ATOM 0 HB3 CYS B 198 20.617 12.209 38.391 1.00 21.24 H new ATOM 2854 N SER B 199 23.371 11.603 37.175 1.00 21.90 N ATOM 2855 CA SER B 199 24.073 10.400 36.749 1.00 22.19 C ATOM 2856 C SER B 199 23.392 9.132 37.275 1.00 22.23 C ATOM 2857 O SER B 199 22.767 9.134 38.356 1.00 21.99 O ATOM 2858 CB SER B 199 25.532 10.448 37.166 1.00 22.16 C ATOM 2859 OG SER B 199 26.216 11.440 36.422 1.00 22.94 O ATOM 0 H SER B 199 23.678 11.974 37.887 1.00 21.90 H new ATOM 0 HA SER B 199 24.036 10.368 35.780 1.00 22.19 H new ATOM 0 HB2 SER B 199 25.599 10.641 38.114 1.00 22.16 H new ATOM 0 HB3 SER B 199 25.946 9.583 37.022 1.00 22.16 H new ATOM 0 HG SER B 199 27.022 11.462 36.659 1.00 22.94 H new ATOM 2860 N ALA B 200 23.503 8.059 36.488 1.00 22.09 N ATOM 2861 CA ALA B 200 22.907 6.778 36.848 1.00 22.30 C ATOM 2862 C ALA B 200 23.838 6.012 37.760 1.00 22.00 C ATOM 2863 O ALA B 200 23.416 5.210 38.571 1.00 21.88 O ATOM 2864 CB ALA B 200 22.614 5.963 35.605 1.00 22.53 C ATOM 0 H ALA B 200 23.923 8.056 35.737 1.00 22.09 H new ATOM 0 HA ALA B 200 22.073 6.945 37.314 1.00 22.30 H new ATOM 0 HB1 ALA B 200 22.218 5.115 35.860 1.00 22.53 H new ATOM 0 HB2 ALA B 200 21.996 6.450 35.037 1.00 22.53 H new ATOM 0 HB3 ALA B 200 23.439 5.802 35.121 1.00 22.53 H new ATOM 2865 N LYS B 201 25.120 6.288 37.615 1.00 22.07 N ATOM 2866 CA LYS B 201 26.143 5.656 38.408 1.00 22.00 C ATOM 2867 C LYS B 201 27.122 6.722 38.807 1.00 21.69 C ATOM 2868 O LYS B 201 26.914 7.857 38.394 1.00 20.42 O ATOM 2869 CB LYS B 201 26.863 4.599 37.583 1.00 22.17 C ATOM 2870 CG LYS B 201 27.634 5.152 36.406 1.00 22.59 C ATOM 2871 CD LYS B 201 27.963 4.021 35.441 1.00 24.71 C ATOM 2872 CE LYS B 201 28.844 4.473 34.272 1.00 26.12 C ATOM 2873 NZ LYS B 201 29.219 3.343 33.364 1.00 26.85 N ATOM 2874 OXT LYS B 201 28.079 6.386 39.510 1.00 22.47 O ATOM 0 H LYS B 201 25.421 6.856 37.044 1.00 22.07 H new ATOM 0 HA LYS B 201 25.752 5.228 39.186 1.00 22.00 H new ATOM 0 HB2 LYS B 201 27.475 4.115 38.159 1.00 22.17 H new ATOM 0 HB3 LYS B 201 26.212 3.958 37.258 1.00 22.17 H new ATOM 0 HG2 LYS B 201 27.111 5.833 35.955 1.00 22.59 H new ATOM 0 HG3 LYS B 201 28.450 5.577 36.712 1.00 22.59 H new ATOM 0 HD2 LYS B 201 28.414 3.311 35.924 1.00 24.71 H new ATOM 0 HD3 LYS B 201 27.138 3.648 35.093 1.00 24.71 H new ATOM 0 HE2 LYS B 201 28.375 5.152 33.762 1.00 26.12 H new ATOM 0 HE3 LYS B 201 29.650 4.886 34.619 1.00 26.12 H new ATOM 0 HZ1 LYS B 201 29.729 3.650 32.702 1.00 26.85 H new ATOM 0 HZ2 LYS B 201 29.670 2.729 33.824 1.00 26.85 H new ATOM 0 HZ3 LYS B 201 28.482 2.977 33.025 1.00 26.85 H new TER 2875 LYS B 201 HETATM 2876 O HOH A 202 12.260 16.127 -15.848 1.00 45.33 O HETATM 2877 O HOH A 203 8.202 14.110 3.059 1.00 37.21 O HETATM 2878 O HOH A 204 27.804 10.676 -13.831 1.00 45.08 O HETATM 2879 O HOH A 205 4.077 13.910 8.836 1.00 53.60 O HETATM 2880 O HOH A 206 -0.071 9.246 5.822 1.00 33.11 O HETATM 2881 O HOH A 207 18.938 -6.132 12.831 1.00 33.93 O HETATM 2882 O HOH A 208 31.927 5.916 -4.522 1.00 71.31 O HETATM 2883 O HOH A 209 19.622 0.765 24.159 1.00 54.80 O HETATM 2884 O HOH A 210 25.736 10.066 24.679 1.00 40.33 O HETATM 2885 O HOH A 211 23.295 -0.840 7.979 1.00 31.79 O HETATM 2886 O HOH A 212 17.789 9.669 26.024 1.00 48.29 O HETATM 2887 O HOH A 213 27.106 10.858 5.407 1.00 42.01 O HETATM 2888 O HOH A 214 -1.512 12.216 -1.271 1.00 49.54 O HETATM 2889 O HOH A 215 19.876 24.734 -13.404 1.00 52.96 O HETATM 2890 O HOH A 216 10.326 -2.857 -11.317 1.00 40.79 O HETATM 2891 O HOH A 217 8.541 3.302 -4.375 1.00 58.42 O HETATM 2892 O HOH A 218 10.032 -7.203 5.314 1.00 49.14 O HETATM 2893 O HOH A 219 35.047 15.105 -7.018 1.00 79.21 O HETATM 2894 O HOH A 220 10.695 18.677 14.886 1.00 50.34 O HETATM 2895 O HOH A 221 27.657 7.798 3.362 1.00 52.26 O HETATM 2896 O HOH A 222 18.036 0.194 -13.490 1.00 60.89 O HETATM 2897 O HOH A 223 2.344 12.576 -7.290 1.00 57.41 O HETATM 2898 O HOH A 224 28.830 -3.169 3.183 1.00 33.04 O HETATM 2899 O HOH A 225 2.064 15.676 -12.335 1.00 52.92 O HETATM 2900 O HOH A 226 27.796 -0.816 11.752 1.00 52.26 O HETATM 2901 O HOH A 227 21.678 -5.114 -20.005 1.00 42.42 O HETATM 2902 O HOH A 228 9.436 -6.921 -4.171 1.00 66.57 O HETATM 2903 O HOH A 229 22.707 -5.702 -15.121 1.00 48.25 O HETATM 2904 O HOH A 230 0.331 3.503 1.110 1.00 51.50 O HETATM 2905 O HOH A 231 26.972 -0.655 25.888 1.00 48.14 O HETATM 2906 O HOH A 232 -0.742 25.618 5.325 1.00 54.74 O HETATM 2907 O HOH A 233 33.034 14.870 10.155 1.00 64.40 O HETATM 2908 O HOH A 234 36.107 15.568 2.838 1.00 47.01 O HETATM 2909 O HOH A 235 19.185 21.019 14.546 1.00 33.38 O HETATM 2910 O HOH A 236 3.856 -3.473 -3.718 1.00 57.70 O HETATM 2911 O HOH A 237 10.210 4.522 -21.219 1.00 45.94 O HETATM 2912 O HOH A 238 43.296 11.930 3.568 1.00 37.72 O HETATM 2913 O HOH A 239 39.330 10.256 -1.531 1.00 52.95 O HETATM 2914 O HOH B 202 -5.622 26.009 30.945 1.00 21.39 O HETATM 2915 O HOH B 203 2.663 28.232 45.925 1.00 40.52 O HETATM 2916 O HOH B 204 22.706 5.688 31.976 1.00 53.80 O HETATM 2917 O HOH B 205 7.158 14.193 55.170 1.00 53.67 O HETATM 2918 O HOH B 206 -18.576 20.459 30.770 1.00 45.24 O HETATM 2919 O HOH B 207 3.286 31.746 42.355 1.00 45.66 O HETATM 2920 O HOH B 208 -19.327 17.165 26.541 1.00 46.16 O HETATM 2921 O HOH B 209 0.862 23.937 23.214 1.00 48.71 O HETATM 2922 O HOH B 210 -9.679 27.540 14.634 1.00 60.09 O HETATM 2923 O HOH B 211 -6.533 29.540 17.360 1.00 51.01 O HETATM 2924 O HOH B 212 5.093 36.183 38.520 1.00 58.63 O HETATM 2925 O HOH B 213 0.678 8.841 29.655 1.00 28.85 O HETATM 2926 O HOH B 214 14.527 15.912 53.490 1.00 37.13 O HETATM 2927 O HOH B 215 -5.405 9.518 28.018 1.00 63.56 O HETATM 2928 O HOH B 216 4.397 14.790 56.483 1.00 47.40 O HETATM 2929 O HOH B 217 11.806 21.560 44.926 1.00 58.13 O HETATM 2930 O HOH B 218 -8.502 8.165 50.296 1.00 67.95 O HETATM 2931 O HOH B 219 17.067 5.145 44.004 1.00 40.53 O HETATM 2932 O HOH B 220 -8.816 26.636 42.017 1.00 54.96 O HETATM 2933 O HOH B 221 -3.002 35.575 41.994 1.00 63.52 O HETATM 2934 O HOH B 222 -0.284 14.539 14.551 1.00 87.35 O HETATM 2935 O HOH B 223 -12.357 26.819 21.949 1.00 65.63 O HETATM 2936 O HOH B 224 25.961 16.469 32.622 1.00 51.79 O HETATM 2937 O HOH B 225 22.426 31.674 28.666 1.00 50.07 O HETATM 2938 O HOH B 226 -1.747 17.638 27.137 1.00 59.26 O HETATM 2939 O HOH B 227 18.536 20.561 33.844 1.00 38.48 O HETATM 2940 O HOH B 228 8.637 21.366 54.513 1.00 46.02 O HETATM 2941 O HOH B 229 21.422 0.571 32.190 1.00 32.67 O HETATM 2942 O HOH B 230 21.614 0.681 34.833 1.00 46.03 O HETATM 2943 O HOH B 231 20.645 14.459 47.105 1.00 60.86 O HETATM 2944 O HOH B 232 -2.547 9.265 56.579 1.00 71.76 O HETATM 2945 O HOH B 233 -6.327 3.409 33.431 1.00 65.98 O HETATM 2946 O HOH B 234 21.906 12.537 45.182 1.00 47.07 O HETATM 2947 O HOH B 235 27.121 21.247 37.835 1.00 39.32 O HETATM 2948 O HOH B 236 27.356 20.763 39.748 1.00 48.88 O HETATM 2949 O HOH B 237 -6.480 5.477 15.935 1.00 55.89 O HETATM 2950 O HOH B 238 -7.624 5.975 29.608 1.00 81.89 O CONECT 1211 1422 CONECT 1422 1211 CONECT 2642 2853 CONECT 2853 2642 END