USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1166 hydrogens (168 hets) HEADER HYDROLASE 21-APR-09 3A1R TITLE NEUTRON CRYSTAL STRUCTURE ANALYSIS OF BOVINE PANCREATIC RIBONUCLEASE A COMPND MOL_ID: 1; COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: RNASE 1, RNASE A; COMPND 5 EC: 3.1.27.5 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: BOVINE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 OTHER_DETAILS: PANCREAS KEYWDS BOVINE PANCREATIC RIBONUCLEASE A, NEUTRON STRUCTURE, ENDONUCLEASE, KEYWDS 2 GLYCATION, GLYCOPROTEIN, HYDROLASE, SECRETED, DISULFIDE BOND, KEYWDS 3 NUCLEASE EXPDTA NEUTRON DIFFRACTION AUTHOR D.YAGI,I.TANAKA,N.NIIMURA REVDAT 2 13-JUL-11 3A1R 1 VERSN REVDAT 1 01-SEP-09 3A1R 0 JRNL AUTH D.YAGI,T.YAMADA,K.KURIHARA,Y.OHNISHI,M.YAMASHITA,T.TAMADA, JRNL AUTH 2 I.TANAKA,R.KUROKI,N.NIIMURA JRNL TITL A NEUTRON CRYSTALLOGRAPHIC ANALYSIS OF PHOSPHATE-FREE JRNL TITL 2 RIBONUCLEASE A AT 1.7 A RESOLUTION JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 65 892 2009 JRNL REFN ISSN 0907-4449 JRNL PMID 19690366 JRNL DOI 10.1107/S0907444909018885 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD TARGET USING AMPLITUDES REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.84 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 666500.050 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 63.9 REMARK 3 NUMBER OF REFLECTIONS : 15029 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 SET) : 0.195 REMARK 3 FREE R VALUE : 0.238 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 750 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.009 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.49 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 23.70 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 870 REMARK 3 BIN R VALUE (WORKING SET) : 0.3330 REMARK 3 BIN FREE R VALUE : 0.3680 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.40 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 50 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.052 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 951 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 92 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 11.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 1.19000 REMARK 3 B22 (A**2) : -0.25000 REMARK 3 B33 (A**2) : -0.94000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.32000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.17 REMARK 3 ESD FROM SIGMAA (A) : 0.14 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.21 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.16 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.004 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.10 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.26 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : ANISOTROPIC REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.320 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.820 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.850 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.910 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.06 REMARK 3 BSOL : 13.00 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PRO3.PARAM REMARK 3 PARAMETER FILE 2 : SOL.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : PRO2.TOP REMARK 3 TOPOLOGY FILE 2 : SOL.TOP REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3A1R COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 23-APR-09. REMARK 100 THE RCSB ID CODE IS RCSB028702. REMARK 230 REMARK 230 EXPERIMENTAL DETAILS REMARK 230 EXPERIMENT TYPE : NEUTRON DIFFRACTION REMARK 230 DATE OF DATA COLLECTION : NULL REMARK 230 TEMPERATURE (KELVIN) : NULL REMARK 230 PH : NULL REMARK 230 NUMBER OF CRYSTALS USED : 1 REMARK 230 REMARK 230 NEUTRON SOURCE : NULL REMARK 230 BEAMLINE : NULL REMARK 230 WAVELENGTH OR RANGE (A) : NULL REMARK 230 MONOCHROMATOR : NULL REMARK 230 OPTICS : NULL REMARK 230 REMARK 230 DETECTOR TYPE : NULL REMARK 230 DETECTOR MANUFACTURER : NULL REMARK 230 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 230 DATA SCALING SOFTWARE : NULL REMARK 230 REMARK 230 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 230 RESOLUTION RANGE HIGH (A) : NULL REMARK 230 RESOLUTION RANGE LOW (A) : NULL REMARK 230 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 230 REMARK 230 OVERALL. REMARK 230 COMPLETENESS FOR RANGE (%) : NULL REMARK 230 DATA REDUNDANCY : NULL REMARK 230 R MERGE (I) : NULL REMARK 230 R SYM (I) : NULL REMARK 230 FOR THE DATA SET : NULL REMARK 230 REMARK 230 IN THE HIGHEST RESOLUTION SHELL. REMARK 230 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 230 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 230 COMPLETENESS FOR SHELL (%) : NULL REMARK 230 DATA REDUNDANCY IN SHELL : NULL REMARK 230 R MERGE FOR SHELL (I) : NULL REMARK 230 R SYM FOR SHELL (I) : NULL REMARK 230 FOR SHELL : NULL REMARK 230 REMARK 230 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 230 SOFTWARE USED : CNS REMARK 230 STARTING MODEL: PDB ENTRY 1KF4 REMARK 230 REMARK 230 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 50% TERT-BUTYL ALCOHOL, TEMPERATURE REMARK 280 298K, THEN THE CRYSTAL WAS SOAKED IN HEAVY WATER SOLUTION, PH6.2, REMARK 280 FOR TWO MONTHS, BATCH REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 19.27900 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 GLN A 60 -129.20 -107.72 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 DOD A1058 DISTANCE = 5.44 ANGSTROMS DBREF 3A1R A 1 124 UNP P61823 RNAS1_BOVIN 27 150 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL FORMUL 2 DOD *92(D2 O) HELIX 1 1 THR A 3 MET A 13 1 11 HELIX 2 2 ASN A 24 ARG A 33 1 10 HELIX 3 3 SER A 50 ALA A 56 1 7 HELIX 4 4 VAL A 57 GLN A 60 5 4 SHEET 1 A 3 VAL A 43 VAL A 47 0 SHEET 2 A 3 MET A 79 GLU A 86 -1 O CYS A 84 N ASN A 44 SHEET 3 A 3 TYR A 97 LYS A 104 -1 O THR A 100 N ASP A 83 SHEET 1 B 4 LYS A 61 VAL A 63 0 SHEET 2 B 4 CYS A 72 GLN A 74 -1 O GLN A 74 N LYS A 61 SHEET 3 B 4 ILE A 106 GLU A 111 -1 O VAL A 108 N TYR A 73 SHEET 4 B 4 VAL A 116 SER A 123 -1 O VAL A 118 N ALA A 109 SSBOND *** CYS A 26 CYS A 84 1555 1555 2.03 SSBOND *** CYS A 40 CYS A 95 1555 1555 2.03 SSBOND *** CYS A 58 CYS A 110 1555 1555 2.03 SSBOND *** CYS A 65 CYS A 72 1555 1555 2.02 CISPEP 1 TYR A 92 PRO A 93 0 0.04 CISPEP 2 ASN A 113 PRO A 114 0 0.08 CRYST1 30.380 38.558 53.398 90.00 105.78 90.00 P 1 21 1 2 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 0.032916 0.000000 0.009302 0.00000 SCALE2 0.000000 0.025935 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019461 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: A 17 THR OG1 : rot -105:sc= 0.541 USER MOD Set 1.2: A 25 TYR OH : rot 172:sc= 0.879 USER MOD Set 1.3: A 48 HIS : no HD1:sc= 1.17 K(o=6,f=-3.9!) USER MOD Set 1.4: A 80 SER OG : rot -172:sc= 0.964 USER MOD Set 1.5: A 82 THR OG1 : rot -44:sc= 1.59 USER MOD Set 1.6: A 101 GLN : amide:sc= 0.881 K(o=6,f=2.1!) USER MOD Set 2.1: A 30 MET CE :methyl 176:sc= 0 (180deg=-0.0202) USER MOD Set 2.2: A 97 TYR OH : rot 3:sc= 0.997 USER MOD Set 3.1: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 115 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 67 ASN : amide:sc= 0.319 K(o=0.88,f=-1.7) USER MOD Set 4.2: A 69 GLN : amide:sc= -0.241 K(o=0.88,f=-1.7) USER MOD Set 4.3: A 71 ASN : amide:sc= 0.8 K(o=0.88,f=-5!) USER MOD Set 5.1: A 24 ASN : amide:sc= 0 X(o=0.59,f=0.31) USER MOD Set 5.2: A 27 ASN : amide:sc= 0.592 K(o=0.59,f=-5.6!) USER MOD Set 6.1: A 12 HIS : no HE2:sc= 0.789 K(o=1.6,f=-1.3!) USER MOD Set 6.2: A 41 LYS NZ :NH3+ 168:sc= 0.223 (180deg=0) USER MOD Set 6.3: A 44 ASN : amide:sc= 0.586 K(o=1.6,f=-1.8) USER MOD Single : A 1 LYS N :NH3+ -173:sc= 0.621 (180deg=0.595) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0663 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.412 X(o=0.41,f=-0.012) USER MOD Single : A 13 MET CE :methyl -145:sc= -0.135 (180deg=-1.22) USER MOD Single : A 15 SER OG : rot -67:sc= 1.14 USER MOD Single : A 16 SER OG : rot -64:sc= 0.386 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -91:sc= 0.942 USER MOD Single : A 22 SER OG : rot -63:sc= 0.571 USER MOD Single : A 23 SER OG : rot -56:sc= 0.531 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl -132:sc= 0 (180deg=-0.0241) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -120:sc= 0.99 USER MOD Single : A 34 ASN : amide:sc= 0.84 X(o=0.84,f=0.48) USER MOD Single : A 36 THR OG1 : rot 159:sc= 0.986 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -4:sc= 0.927 USER MOD Single : A 50 SER OG : rot 180:sc= 0.028 USER MOD Single : A 55 GLN : amide:sc= 0.115 X(o=0.12,f=-0.35) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.125 K(o=-0.13,f=-4.6!) USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= -0.0168 (180deg=-0.256) USER MOD Single : A 62 ASN : amide:sc= 0.337 X(o=0.34,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 1.06 K(o=1.1,f=0.52) USER MOD Single : A 75 SER OG : rot 107:sc= 0.898 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00122 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -171:sc= 0.277 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -135:sc= 0.558 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 6:sc= 1.14 USER MOD Single : A 94 ASN : amide:sc=-0.00885 X(o=-0.0089,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -165:sc= -0.0432 (180deg=-0.293) USER MOD Single : A 99 THR OG1 : rot -62:sc= 1.05 USER MOD Single : A 100 THR OG1 : rot 97:sc= 0.54 USER MOD Single : A 103 ASN : amide:sc= 1.04 K(o=1,f=0.026) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HE2:sc= 0.298 K(o=0.3,f=-1.1) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 119 HIS : no HD1:sc= 0.0731 K(o=0.073,f=-0.71) USER MOD Single : A 123 SER OG : rot 26:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 20.862 9.003 27.980 1.00 18.62 N ATOM 2 CA LYS A 1 20.538 7.775 27.210 1.00 18.63 C ATOM 3 C LYS A 1 19.847 8.143 25.903 1.00 15.18 C ATOM 4 O LYS A 1 19.487 9.301 25.683 1.00 15.35 O ATOM 5 CB LYS A 1 19.619 6.879 28.039 1.00 21.95 C ATOM 6 CG LYS A 1 20.348 6.130 29.142 1.00 27.11 C ATOM 7 CD LYS A 1 19.543 6.130 30.435 1.00 29.54 C ATOM 8 CE LYS A 1 18.209 5.415 30.262 1.00 31.71 C ATOM 9 NZ LYS A 1 17.432 5.420 31.538 1.00 33.28 N ATOM 0 H1 LYS A 1 21.353 8.787 28.690 1.00 18.62 H new ATOM 0 H2 LYS A 1 21.319 9.566 27.463 1.00 18.62 H new ATOM 0 H3 LYS A 1 20.108 9.393 28.249 1.00 18.62 H new ATOM 0 HA LYS A 1 21.361 7.301 27.010 1.00 18.63 H new ATOM 0 HB2 LYS A 1 18.918 7.421 28.433 1.00 21.95 H new ATOM 0 HB3 LYS A 1 19.186 6.239 27.453 1.00 21.95 H new ATOM 0 HG2 LYS A 1 20.513 5.216 28.861 1.00 27.11 H new ATOM 0 HG3 LYS A 1 21.213 6.540 29.297 1.00 27.11 H new ATOM 0 HD2 LYS A 1 20.055 5.697 31.136 1.00 29.54 H new ATOM 0 HD3 LYS A 1 19.387 7.044 30.720 1.00 29.54 H new ATOM 0 HE2 LYS A 1 17.694 5.848 29.564 1.00 31.71 H new ATOM 0 HE3 LYS A 1 18.362 4.501 29.976 1.00 31.71 H new ATOM 0 HZ1 LYS A 1 16.658 4.998 31.416 1.00 33.28 H new ATOM 0 HZ2 LYS A 1 17.899 5.005 32.172 1.00 33.28 H new ATOM 0 HZ3 LYS A 1 17.276 6.260 31.787 1.00 33.28 H new ATOM 20 N GLU A 2 19.689 7.151 25.033 1.00 12.77 N ATOM 21 CA GLU A 2 19.025 7.338 23.748 1.00 9.52 C ATOM 22 C GLU A 2 17.587 7.806 23.997 1.00 8.96 C ATOM 23 O GLU A 2 16.893 7.258 24.854 1.00 7.59 O ATOM 24 CB GLU A 2 19.023 6.010 22.990 1.00 9.21 C ATOM 25 CG GLU A 2 18.432 6.094 21.592 1.00 7.22 C ATOM 26 CD GLU A 2 18.348 4.739 20.920 1.00 7.20 C ATOM 27 OE1 GLU A 2 18.195 3.721 21.619 1.00 5.78 O ATOM 28 OE2 GLU A 2 18.418 4.696 19.675 1.00 9.95 O ATOM 0 H GLU A 2 19.965 6.348 25.172 1.00 12.77 H new ATOM 0 HA GLU A 2 19.492 8.004 23.220 1.00 9.52 H new ATOM 0 HB2 GLU A 2 19.934 5.684 22.926 1.00 9.21 H new ATOM 0 HB3 GLU A 2 18.523 5.356 23.503 1.00 9.21 H new ATOM 0 HG2 GLU A 2 17.545 6.484 21.641 1.00 7.22 H new ATOM 0 HG3 GLU A 2 18.973 6.689 21.050 1.00 7.22 H new ATOM 36 N THR A 3 17.155 8.842 23.283 1.00 7.65 N ATOM 37 CA THR A 3 15.796 9.368 23.448 1.00 8.69 C ATOM 38 C THR A 3 14.795 8.440 22.760 1.00 9.72 C ATOM 39 O THR A 3 15.175 7.622 21.931 1.00 7.59 O ATOM 40 CB THR A 3 15.675 10.770 22.832 1.00 10.70 C ATOM 41 OG1 THR A 3 15.839 10.694 21.427 1.00 11.15 O ATOM 42 CG2 THR A 3 16.710 11.737 23.353 1.00 13.95 C ATOM 0 H THR A 3 17.630 9.256 22.698 1.00 7.65 H new ATOM 0 HA THR A 3 15.606 9.420 24.398 1.00 8.69 H new ATOM 0 HB THR A 3 14.795 11.096 23.078 1.00 10.70 H new ATOM 0 HG1 THR A 3 15.771 11.462 21.095 1.00 11.15 H new ATOM 0 HG21 THR A 3 16.586 12.602 22.931 1.00 13.95 H new ATOM 0 HG22 THR A 3 16.613 11.829 24.314 1.00 13.95 H new ATOM 0 HG23 THR A 3 17.597 11.402 23.149 1.00 13.95 H new ATOM 51 N ALA A 4 13.520 8.568 23.119 1.00 9.23 N ATOM 52 CA ALA A 4 12.470 7.756 22.520 1.00 9.81 C ATOM 53 C ALA A 4 12.359 8.023 21.016 1.00 6.63 C ATOM 54 O ALA A 4 12.115 7.101 20.240 1.00 6.45 O ATOM 55 CB ALA A 4 11.146 8.042 23.205 1.00 9.92 C ATOM 0 H ALA A 4 13.243 9.125 23.713 1.00 9.23 H new ATOM 0 HA ALA A 4 12.697 6.821 22.641 1.00 9.81 H new ATOM 0 HB1 ALA A 4 10.450 7.499 22.803 1.00 9.92 H new ATOM 0 HB2 ALA A 4 11.217 7.829 24.149 1.00 9.92 H new ATOM 0 HB3 ALA A 4 10.924 8.981 23.102 1.00 9.92 H new ATOM 62 N ALA A 5 12.533 9.278 20.607 1.00 7.55 N ATOM 63 CA ALA A 5 12.451 9.638 19.195 1.00 7.38 C ATOM 64 C ALA A 5 13.608 9.025 18.402 1.00 6.67 C ATOM 65 O ALA A 5 13.415 8.563 17.274 1.00 5.73 O ATOM 66 CB ALA A 5 12.451 11.154 19.037 1.00 9.34 C ATOM 0 H ALA A 5 12.700 9.937 21.134 1.00 7.55 H new ATOM 0 HA ALA A 5 11.621 9.283 18.841 1.00 7.38 H new ATOM 0 HB1 ALA A 5 12.396 11.381 18.096 1.00 9.34 H new ATOM 0 HB2 ALA A 5 11.688 11.528 19.505 1.00 9.34 H new ATOM 0 HB3 ALA A 5 13.269 11.518 19.410 1.00 9.34 H new ATOM 73 N ALA A 6 14.805 9.023 18.988 1.00 7.39 N ATOM 74 CA ALA A 6 15.974 8.460 18.327 1.00 7.21 C ATOM 75 C ALA A 6 15.831 6.943 18.234 1.00 6.56 C ATOM 76 O ALA A 6 16.238 6.337 17.244 1.00 5.25 O ATOM 77 CB ALA A 6 17.239 8.825 19.095 1.00 8.17 C ATOM 0 H ALA A 6 14.958 9.345 19.771 1.00 7.39 H new ATOM 0 HA ALA A 6 16.040 8.827 17.432 1.00 7.21 H new ATOM 0 HB1 ALA A 6 18.011 8.445 18.647 1.00 8.17 H new ATOM 0 HB2 ALA A 6 17.329 9.790 19.131 1.00 8.17 H new ATOM 0 HB3 ALA A 6 17.184 8.472 19.997 1.00 8.17 H new ATOM 84 N LYS A 7 15.261 6.334 19.269 1.00 5.07 N ATOM 85 CA LYS A 7 15.060 4.891 19.278 1.00 5.19 C ATOM 86 C LYS A 7 14.057 4.493 18.197 1.00 5.04 C ATOM 87 O LYS A 7 14.202 3.440 17.580 1.00 4.74 O ATOM 88 CB LYS A 7 14.559 4.419 20.647 1.00 8.09 C ATOM 89 CG LYS A 7 14.495 2.901 20.761 1.00 8.88 C ATOM 90 CD LYS A 7 14.001 2.467 22.128 1.00 16.47 C ATOM 91 CE LYS A 7 14.170 0.966 22.303 1.00 21.26 C ATOM 92 NZ LYS A 7 13.987 0.578 23.728 1.00 24.56 N ATOM 0 H LYS A 7 14.984 6.739 19.975 1.00 5.07 H new ATOM 0 HA LYS A 7 15.913 4.466 19.097 1.00 5.19 H new ATOM 0 HB2 LYS A 7 15.144 4.767 21.338 1.00 8.09 H new ATOM 0 HB3 LYS A 7 13.677 4.789 20.809 1.00 8.09 H new ATOM 0 HG2 LYS A 7 13.906 2.548 20.076 1.00 8.88 H new ATOM 0 HG3 LYS A 7 15.375 2.526 20.599 1.00 8.88 H new ATOM 0 HD2 LYS A 7 14.493 2.936 22.820 1.00 16.47 H new ATOM 0 HD3 LYS A 7 13.067 2.707 22.232 1.00 16.47 H new ATOM 0 HE2 LYS A 7 13.526 0.497 21.750 1.00 21.26 H new ATOM 0 HE3 LYS A 7 15.052 0.698 22.001 1.00 21.26 H new ATOM 0 HZ1 LYS A 7 14.089 -0.302 23.812 1.00 24.56 H new ATOM 0 HZ2 LYS A 7 14.592 0.996 24.230 1.00 24.56 H new ATOM 0 HZ3 LYS A 7 13.170 0.808 23.996 1.00 24.56 H new ATOM 107 N PHE A 8 13.048 5.333 17.963 1.00 5.84 N ATOM 108 CA PHE A 8 12.048 5.045 16.936 1.00 4.34 C ATOM 109 C PHE A 8 12.714 5.037 15.558 1.00 5.52 C ATOM 110 O PHE A 8 12.368 4.218 14.706 1.00 4.84 O ATOM 111 CB PHE A 8 10.916 6.085 16.959 1.00 4.02 C ATOM 112 CG PHE A 8 9.897 5.897 15.851 1.00 4.95 C ATOM 113 CD1 PHE A 8 10.067 6.521 14.627 1.00 4.88 C ATOM 114 CD2 PHE A 8 8.784 5.088 16.038 1.00 6.11 C ATOM 115 CE1 PHE A 8 9.154 6.347 13.609 1.00 5.32 C ATOM 116 CE2 PHE A 8 7.857 4.910 15.017 1.00 6.30 C ATOM 117 CZ PHE A 8 8.044 5.539 13.801 1.00 5.81 C ATOM 0 H PHE A 8 12.925 6.072 18.386 1.00 5.84 H new ATOM 0 HA PHE A 8 11.664 4.173 17.120 1.00 4.34 H new ATOM 0 HB2 PHE A 8 10.463 6.040 17.816 1.00 4.02 H new ATOM 0 HB3 PHE A 8 11.301 6.973 16.887 1.00 4.02 H new ATOM 0 HD1 PHE A 8 10.808 7.066 14.489 1.00 4.88 H new ATOM 0 HD2 PHE A 8 8.657 4.661 16.854 1.00 6.11 H new ATOM 0 HE1 PHE A 8 9.283 6.772 12.792 1.00 5.32 H new ATOM 0 HE2 PHE A 8 7.113 4.369 15.152 1.00 6.30 H new ATOM 0 HZ PHE A 8 7.428 5.421 13.114 1.00 5.81 H new ATOM 128 N GLU A 9 13.642 5.962 15.327 1.00 5.15 N ATOM 129 CA GLU A 9 14.335 6.025 14.039 1.00 5.41 C ATOM 130 C GLU A 9 15.212 4.790 13.843 1.00 4.83 C ATOM 131 O GLU A 9 15.219 4.194 12.770 1.00 5.04 O ATOM 132 CB GLU A 9 15.225 7.264 13.951 1.00 10.18 C ATOM 133 CG GLU A 9 14.469 8.576 13.906 1.00 14.86 C ATOM 134 CD GLU A 9 15.401 9.760 13.717 1.00 15.29 C ATOM 135 OE1 GLU A 9 15.294 10.732 14.496 1.00 17.83 O ATOM 136 OE2 GLU A 9 16.247 9.719 12.797 1.00 16.39 O ATOM 0 H GLU A 9 13.885 6.559 15.897 1.00 5.15 H new ATOM 0 HA GLU A 9 13.655 6.066 13.348 1.00 5.41 H new ATOM 0 HB2 GLU A 9 15.823 7.274 14.715 1.00 10.18 H new ATOM 0 HB3 GLU A 9 15.779 7.195 13.158 1.00 10.18 H new ATOM 0 HG2 GLU A 9 13.825 8.553 13.181 1.00 14.86 H new ATOM 0 HG3 GLU A 9 13.967 8.688 14.728 1.00 14.86 H new ATOM 144 N ARG A 10 15.942 4.411 14.890 1.00 3.65 N ATOM 145 CA ARG A 10 16.832 3.256 14.841 1.00 5.37 C ATOM 146 C ARG A 10 16.068 1.947 14.655 1.00 4.62 C ATOM 147 O ARG A 10 16.511 1.075 13.913 1.00 6.72 O ATOM 148 CB ARG A 10 17.661 3.172 16.136 1.00 5.52 C ATOM 149 CG ARG A 10 18.587 1.949 16.176 1.00 6.52 C ATOM 150 CD ARG A 10 19.549 1.979 17.363 1.00 7.60 C ATOM 151 NE ARG A 10 18.871 1.998 18.656 1.00 6.92 N ATOM 152 CZ ARG A 10 18.399 0.931 19.291 1.00 10.50 C ATOM 153 NH1 ARG A 10 18.514 -0.281 18.766 1.00 12.55 N ATOM 154 NH2 ARG A 10 17.852 1.072 20.491 1.00 13.03 N ATOM 0 H ARG A 10 15.934 4.817 15.648 1.00 3.65 H new ATOM 0 HA ARG A 10 17.414 3.378 14.075 1.00 5.37 H new ATOM 0 HB2 ARG A 10 18.193 3.978 16.226 1.00 5.52 H new ATOM 0 HB3 ARG A 10 17.061 3.142 16.897 1.00 5.52 H new ATOM 0 HG2 ARG A 10 18.050 1.142 16.219 1.00 6.52 H new ATOM 0 HG3 ARG A 10 19.097 1.906 15.352 1.00 6.52 H new ATOM 0 HD2 ARG A 10 20.129 1.203 17.321 1.00 7.60 H new ATOM 0 HD3 ARG A 10 20.117 2.762 17.291 1.00 7.60 H new ATOM 0 HE ARG A 10 18.769 2.762 19.037 1.00 6.92 H new ATOM 0 HH11 ARG A 10 18.899 -0.385 18.004 1.00 12.55 H new ATOM 0 HH12 ARG A 10 18.204 -0.963 19.188 1.00 12.55 H new ATOM 0 HH21 ARG A 10 17.805 1.851 20.853 1.00 13.03 H new ATOM 0 HH22 ARG A 10 17.545 0.385 20.907 1.00 13.03 H new ATOM 169 N GLN A 11 14.911 1.818 15.298 1.00 4.71 N ATOM 170 CA GLN A 11 14.139 0.578 15.208 1.00 5.77 C ATOM 171 C GLN A 11 13.169 0.486 14.030 1.00 5.56 C ATOM 172 O GLN A 11 12.876 -0.612 13.571 1.00 4.58 O ATOM 173 CB GLN A 11 13.288 0.385 16.473 1.00 8.07 C ATOM 174 CG GLN A 11 14.080 0.192 17.752 1.00 13.00 C ATOM 175 CD GLN A 11 13.232 -0.378 18.878 1.00 15.73 C ATOM 176 OE1 GLN A 11 13.600 -1.375 19.497 1.00 19.41 O ATOM 177 NE2 GLN A 11 12.111 0.270 19.170 1.00 19.04 N ATOM 0 H GLN A 11 14.556 2.429 15.788 1.00 4.71 H new ATOM 0 HA GLN A 11 14.819 -0.103 15.091 1.00 5.77 H new ATOM 0 HB2 GLN A 11 12.710 1.157 16.579 1.00 8.07 H new ATOM 0 HB3 GLN A 11 12.712 -0.385 16.345 1.00 8.07 H new ATOM 0 HG2 GLN A 11 14.827 -0.402 17.580 1.00 13.00 H new ATOM 0 HG3 GLN A 11 14.453 1.043 18.030 1.00 13.00 H new ATOM 0 HE21 GLN A 11 11.885 0.964 18.715 1.00 19.04 H new ATOM 0 HE22 GLN A 11 11.611 -0.004 19.814 1.00 19.04 H new ATOM 187 N HIS A 12 12.700 1.619 13.510 1.00 4.03 N ATOM 188 CA HIS A 12 11.661 1.573 12.479 1.00 3.46 C ATOM 189 C HIS A 12 11.856 2.357 11.184 1.00 5.38 C ATOM 190 O HIS A 12 10.943 2.371 10.362 1.00 7.40 O ATOM 191 CB HIS A 12 10.354 2.060 13.105 1.00 5.17 C ATOM 192 CG HIS A 12 9.916 1.256 14.289 1.00 6.24 C ATOM 193 ND1 HIS A 12 9.528 -0.063 14.200 1.00 7.22 N ATOM 194 CD2 HIS A 12 9.801 1.586 15.598 1.00 5.77 C ATOM 195 CE1 HIS A 12 9.195 -0.513 15.395 1.00 8.41 C ATOM 196 NE2 HIS A 12 9.354 0.472 16.261 1.00 9.76 N ATOM 0 H HIS A 12 12.961 2.407 13.733 1.00 4.03 H new ATOM 0 HA HIS A 12 11.680 0.646 12.194 1.00 3.46 H new ATOM 0 HB2 HIS A 12 10.459 2.986 13.374 1.00 5.17 H new ATOM 0 HB3 HIS A 12 9.655 2.038 12.433 1.00 5.17 H new ATOM 0 HD1 HIS A 12 9.506 -0.524 13.474 1.00 7.22 H new ATOM 0 HD2 HIS A 12 9.990 2.414 15.977 1.00 5.77 H new ATOM 0 HE1 HIS A 12 8.900 -1.373 15.593 1.00 8.41 H new ATOM 206 N MET A 13 12.991 3.013 10.982 1.00 4.50 N ATOM 207 CA MET A 13 13.168 3.776 9.742 1.00 5.45 C ATOM 208 C MET A 13 14.275 3.249 8.830 1.00 6.66 C ATOM 209 O MET A 13 15.380 2.966 9.285 1.00 7.14 O ATOM 210 CB MET A 13 13.480 5.244 10.059 1.00 7.28 C ATOM 211 CG MET A 13 12.310 6.005 10.673 1.00 6.78 C ATOM 212 SD MET A 13 10.877 6.028 9.585 1.00 11.10 S ATOM 213 CE MET A 13 11.561 6.867 8.151 1.00 10.54 C ATOM 0 H MET A 13 13.655 3.034 11.528 1.00 4.50 H new ATOM 0 HA MET A 13 12.327 3.680 9.268 1.00 5.45 H new ATOM 0 HB2 MET A 13 14.234 5.281 10.668 1.00 7.28 H new ATOM 0 HB3 MET A 13 13.753 5.691 9.243 1.00 7.28 H new ATOM 0 HG2 MET A 13 12.067 5.596 11.518 1.00 6.78 H new ATOM 0 HG3 MET A 13 12.583 6.915 10.866 1.00 6.78 H new ATOM 0 HE1 MET A 13 10.878 7.424 7.746 1.00 10.54 H new ATOM 0 HE2 MET A 13 12.308 7.421 8.426 1.00 10.54 H new ATOM 0 HE3 MET A 13 11.866 6.210 7.506 1.00 10.54 H new ATOM 224 N ASP A 14 13.953 3.104 7.546 1.00 5.61 N ATOM 225 CA ASP A 14 14.933 2.696 6.539 1.00 5.19 C ATOM 226 C ASP A 14 14.632 3.475 5.258 1.00 5.22 C ATOM 227 O ASP A 14 14.077 2.945 4.297 1.00 5.82 O ATOM 228 CB ASP A 14 14.913 1.186 6.263 1.00 5.29 C ATOM 229 CG ASP A 14 16.075 0.747 5.369 1.00 7.78 C ATOM 230 OD1 ASP A 14 17.045 1.514 5.222 1.00 10.54 O ATOM 231 OD2 ASP A 14 16.022 -0.362 4.804 1.00 6.47 O ATOM 0 H ASP A 14 13.163 3.239 7.234 1.00 5.61 H new ATOM 0 HA ASP A 14 15.822 2.894 6.872 1.00 5.19 H new ATOM 0 HB2 ASP A 14 14.954 0.704 7.104 1.00 5.29 H new ATOM 0 HB3 ASP A 14 14.073 0.947 5.840 1.00 5.29 H new ATOM 237 N SER A 15 15.024 4.745 5.273 1.00 6.06 N ATOM 238 CA SER A 15 14.821 5.661 4.155 1.00 8.49 C ATOM 239 C SER A 15 15.826 5.417 3.026 1.00 9.38 C ATOM 240 O SER A 15 15.699 6.009 1.953 1.00 8.78 O ATOM 241 CB SER A 15 14.990 7.100 4.649 1.00 8.23 C ATOM 242 OG SER A 15 14.208 7.341 5.807 1.00 12.23 O ATOM 0 H SER A 15 15.422 5.105 5.945 1.00 6.06 H new ATOM 0 HA SER A 15 13.928 5.510 3.809 1.00 8.49 H new ATOM 0 HB2 SER A 15 15.925 7.269 4.846 1.00 8.23 H new ATOM 0 HB3 SER A 15 14.732 7.718 3.947 1.00 8.23 H new ATOM 0 HG SER A 15 13.393 7.314 5.605 1.00 12.23 H new ATOM 249 N SER A 16 16.807 4.542 3.253 1.00 10.68 N ATOM 250 CA SER A 16 17.835 4.273 2.248 1.00 12.06 C ATOM 251 C SER A 16 17.405 3.263 1.182 1.00 11.14 C ATOM 252 O SER A 16 18.097 3.098 0.176 1.00 12.16 O ATOM 253 CB SER A 16 19.116 3.775 2.926 1.00 13.57 C ATOM 254 OG SER A 16 19.033 2.392 3.238 1.00 16.57 O ATOM 0 H SER A 16 16.895 4.094 3.982 1.00 10.68 H new ATOM 0 HA SER A 16 17.991 5.115 1.793 1.00 12.06 H new ATOM 0 HB2 SER A 16 19.875 3.932 2.342 1.00 13.57 H new ATOM 0 HB3 SER A 16 19.273 4.283 3.738 1.00 13.57 H new ATOM 0 HG SER A 16 18.424 2.268 3.804 1.00 16.57 H new ATOM 261 N THR A 17 16.300 2.560 1.414 1.00 10.67 N ATOM 262 CA THR A 17 15.804 1.590 0.448 1.00 8.88 C ATOM 263 C THR A 17 14.315 1.820 0.263 1.00 8.47 C ATOM 264 O THR A 17 13.639 2.305 1.169 1.00 8.81 O ATOM 265 CB THR A 17 16.053 0.150 0.925 1.00 10.78 C ATOM 266 OG1 THR A 17 15.323 -0.111 2.107 1.00 8.34 O ATOM 267 CG2 THR A 17 17.501 -0.115 1.222 1.00 13.00 C ATOM 0 H THR A 17 15.823 2.631 2.126 1.00 10.67 H new ATOM 0 HA THR A 17 16.275 1.707 -0.392 1.00 8.88 H new ATOM 0 HB THR A 17 15.767 -0.427 0.200 1.00 10.78 H new ATOM 0 HG1 THR A 17 15.845 -0.108 2.765 1.00 8.34 H new ATOM 0 HG21 THR A 17 17.608 -1.032 1.518 1.00 13.00 H new ATOM 0 HG22 THR A 17 18.028 0.029 0.420 1.00 13.00 H new ATOM 0 HG23 THR A 17 17.804 0.487 1.920 1.00 13.00 H new ATOM 276 N SER A 18 13.819 1.497 -0.926 1.00 9.38 N ATOM 277 CA SER A 18 12.411 1.672 -1.242 1.00 10.23 C ATOM 278 C SER A 18 11.568 0.465 -0.840 1.00 8.60 C ATOM 279 O SER A 18 10.349 0.569 -0.728 1.00 7.91 O ATOM 280 CB SER A 18 12.261 1.928 -2.740 1.00 13.20 C ATOM 281 OG SER A 18 12.749 3.218 -3.077 1.00 17.19 O ATOM 0 H SER A 18 14.289 1.172 -1.569 1.00 9.38 H new ATOM 0 HA SER A 18 12.087 2.431 -0.732 1.00 10.23 H new ATOM 0 HB2 SER A 18 12.746 1.252 -3.239 1.00 13.20 H new ATOM 0 HB3 SER A 18 11.328 1.853 -2.994 1.00 13.20 H new ATOM 0 HG SER A 18 12.662 3.344 -3.903 1.00 17.19 H new ATOM 288 N ALA A 19 12.224 -0.675 -0.640 1.00 7.71 N ATOM 289 CA ALA A 19 11.557 -1.914 -0.250 1.00 9.99 C ATOM 290 C ALA A 19 12.610 -2.976 0.028 1.00 9.48 C ATOM 291 O ALA A 19 13.773 -2.823 -0.358 1.00 9.69 O ATOM 292 CB ALA A 19 10.642 -2.395 -1.369 1.00 9.96 C ATOM 0 H ALA A 19 13.076 -0.752 -0.728 1.00 7.71 H new ATOM 0 HA ALA A 19 11.025 -1.753 0.545 1.00 9.99 H new ATOM 0 HB1 ALA A 19 10.205 -3.218 -1.099 1.00 9.96 H new ATOM 0 HB2 ALA A 19 9.972 -1.718 -1.552 1.00 9.96 H new ATOM 0 HB3 ALA A 19 11.166 -2.556 -2.169 1.00 9.96 H new ATOM 299 N ALA A 20 12.205 -4.039 0.719 1.00 8.18 N ATOM 300 CA ALA A 20 13.098 -5.154 1.003 1.00 10.04 C ATOM 301 C ALA A 20 13.373 -5.822 -0.344 1.00 11.68 C ATOM 302 O ALA A 20 12.442 -6.119 -1.089 1.00 12.24 O ATOM 303 CB ALA A 20 12.436 -6.129 1.956 1.00 10.29 C ATOM 0 H ALA A 20 11.410 -4.132 1.034 1.00 8.18 H new ATOM 0 HA ALA A 20 13.919 -4.857 1.425 1.00 10.04 H new ATOM 0 HB1 ALA A 20 13.040 -6.866 2.137 1.00 10.29 H new ATOM 0 HB2 ALA A 20 12.222 -5.676 2.786 1.00 10.29 H new ATOM 0 HB3 ALA A 20 11.621 -6.470 1.556 1.00 10.29 H new ATOM 310 N SER A 21 14.647 -6.041 -0.655 1.00 13.14 N ATOM 311 CA SER A 21 15.029 -6.626 -1.943 1.00 14.57 C ATOM 312 C SER A 21 15.294 -8.137 -1.935 1.00 13.28 C ATOM 313 O SER A 21 15.478 -8.736 -2.998 1.00 12.96 O ATOM 314 CB SER A 21 16.267 -5.903 -2.471 1.00 16.55 C ATOM 315 OG SER A 21 17.336 -5.974 -1.545 1.00 18.30 O ATOM 0 H SER A 21 15.308 -5.859 -0.136 1.00 13.14 H new ATOM 0 HA SER A 21 14.257 -6.506 -2.518 1.00 14.57 H new ATOM 0 HB2 SER A 21 16.540 -6.297 -3.314 1.00 16.55 H new ATOM 0 HB3 SER A 21 16.051 -4.974 -2.649 1.00 16.55 H new ATOM 0 HG SER A 21 17.309 -5.308 -1.034 1.00 18.30 H new ATOM 322 N SER A 22 15.319 -8.754 -0.758 1.00 11.58 N ATOM 323 CA SER A 22 15.555 -10.194 -0.672 1.00 10.48 C ATOM 324 C SER A 22 14.997 -10.736 0.635 1.00 9.08 C ATOM 325 O SER A 22 14.610 -9.974 1.525 1.00 8.32 O ATOM 326 CB SER A 22 17.050 -10.509 -0.751 1.00 11.61 C ATOM 327 OG SER A 22 17.717 -10.099 0.425 1.00 11.79 O ATOM 0 H SER A 22 15.203 -8.362 -0.002 1.00 11.58 H new ATOM 0 HA SER A 22 15.106 -10.617 -1.421 1.00 10.48 H new ATOM 0 HB2 SER A 22 17.177 -11.462 -0.883 1.00 11.61 H new ATOM 0 HB3 SER A 22 17.438 -10.062 -1.519 1.00 11.61 H new ATOM 0 HG SER A 22 17.657 -9.265 0.505 1.00 11.79 H new ATOM 334 N SER A 23 14.998 -12.060 0.760 1.00 9.00 N ATOM 335 CA SER A 23 14.476 -12.719 1.949 1.00 8.93 C ATOM 336 C SER A 23 15.360 -12.524 3.183 1.00 7.95 C ATOM 337 O SER A 23 14.920 -12.786 4.299 1.00 9.86 O ATOM 338 CB SER A 23 14.305 -14.212 1.671 1.00 10.18 C ATOM 339 OG SER A 23 15.559 -14.863 1.560 1.00 12.92 O ATOM 0 H SER A 23 15.300 -12.598 0.161 1.00 9.00 H new ATOM 0 HA SER A 23 13.621 -12.307 2.148 1.00 8.93 H new ATOM 0 HB2 SER A 23 13.789 -14.619 2.385 1.00 10.18 H new ATOM 0 HB3 SER A 23 13.801 -14.335 0.851 1.00 10.18 H new ATOM 0 HG SER A 23 16.016 -14.491 0.961 1.00 12.92 H new ATOM 346 N ASN A 24 16.596 -12.070 2.983 1.00 8.36 N ATOM 347 CA ASN A 24 17.532 -11.848 4.086 1.00 10.20 C ATOM 348 C ASN A 24 17.520 -10.426 4.650 1.00 8.12 C ATOM 349 O ASN A 24 18.296 -10.124 5.560 1.00 7.51 O ATOM 350 CB ASN A 24 18.954 -12.162 3.620 1.00 14.26 C ATOM 351 CG ASN A 24 19.312 -13.622 3.786 1.00 16.78 C ATOM 352 OD1 ASN A 24 19.139 -14.199 4.861 1.00 22.00 O ATOM 353 ND2 ASN A 24 19.869 -14.215 2.736 1.00 22.82 N ATOM 0 H ASN A 24 16.915 -11.882 2.207 1.00 8.36 H new ATOM 0 HA ASN A 24 17.240 -12.439 4.798 1.00 10.20 H new ATOM 0 HB2 ASN A 24 19.047 -11.914 2.687 1.00 14.26 H new ATOM 0 HB3 ASN A 24 19.582 -11.619 4.122 1.00 14.26 H new ATOM 0 HD21 ASN A 24 20.125 -15.034 2.791 1.00 22.82 H new ATOM 0 HD22 ASN A 24 19.973 -13.780 2.002 1.00 22.82 H new ATOM 359 N TYR A 25 16.643 -9.564 4.139 1.00 7.27 N ATOM 360 CA TYR A 25 16.577 -8.179 4.602 1.00 5.94 C ATOM 361 C TYR A 25 16.389 -8.074 6.117 1.00 5.71 C ATOM 362 O TYR A 25 17.133 -7.355 6.778 1.00 5.58 O ATOM 363 CB TYR A 25 15.439 -7.447 3.881 1.00 5.05 C ATOM 364 CG TYR A 25 15.173 -6.051 4.412 1.00 6.84 C ATOM 365 CD1 TYR A 25 14.297 -5.855 5.472 1.00 5.96 C ATOM 366 CD2 TYR A 25 15.786 -4.936 3.853 1.00 6.63 C ATOM 367 CE1 TYR A 25 14.040 -4.597 5.964 1.00 7.81 C ATOM 368 CE2 TYR A 25 15.527 -3.653 4.350 1.00 6.13 C ATOM 369 CZ TYR A 25 14.648 -3.505 5.409 1.00 5.19 C ATOM 370 OH TYR A 25 14.348 -2.273 5.945 1.00 7.93 O ATOM 0 H TYR A 25 16.077 -9.762 3.523 1.00 7.27 H new ATOM 0 HA TYR A 25 17.427 -7.763 4.391 1.00 5.94 H new ATOM 0 HB2 TYR A 25 15.651 -7.389 2.936 1.00 5.05 H new ATOM 0 HB3 TYR A 25 14.628 -7.973 3.958 1.00 5.05 H new ATOM 0 HD1 TYR A 25 13.876 -6.589 5.857 1.00 5.96 H new ATOM 0 HD2 TYR A 25 16.375 -5.043 3.141 1.00 6.63 H new ATOM 0 HE1 TYR A 25 13.451 -4.489 6.676 1.00 7.81 H new ATOM 0 HE2 TYR A 25 15.940 -2.910 3.973 1.00 6.13 H new ATOM 0 HH TYR A 25 14.849 -1.690 5.606 1.00 7.93 H new ATOM 381 N CYS A 26 15.418 -8.796 6.672 1.00 5.68 N ATOM 382 CA CYS A 26 15.158 -8.723 8.107 1.00 5.79 C ATOM 383 C CYS A 26 16.298 -9.269 8.960 1.00 6.34 C ATOM 384 O CYS A 26 16.608 -8.699 10.001 1.00 6.50 O ATOM 385 CB CYS A 26 13.860 -9.451 8.443 1.00 6.27 C ATOM 386 SG CYS A 26 12.365 -8.557 7.924 1.00 5.38 S ATOM 0 H CYS A 26 14.902 -9.330 6.239 1.00 5.68 H new ATOM 0 HA CYS A 26 15.078 -7.781 8.323 1.00 5.79 H new ATOM 0 HB2 CYS A 26 13.869 -10.323 8.019 1.00 6.27 H new ATOM 0 HB3 CYS A 26 13.821 -9.601 9.401 1.00 6.27 H new ATOM 392 N ASN A 27 16.889 -10.389 8.559 1.00 8.42 N ATOM 393 CA ASN A 27 18.003 -10.961 9.319 1.00 7.78 C ATOM 394 C ASN A 27 19.161 -9.961 9.420 1.00 8.69 C ATOM 395 O ASN A 27 19.805 -9.848 10.467 1.00 7.94 O ATOM 396 CB ASN A 27 18.505 -12.240 8.653 1.00 9.28 C ATOM 397 CG ASN A 27 17.549 -13.400 8.833 1.00 10.12 C ATOM 398 OD1 ASN A 27 16.705 -13.387 9.727 1.00 12.96 O ATOM 399 ND2 ASN A 27 17.660 -14.401 7.967 1.00 16.57 N ATOM 0 H ASN A 27 16.665 -10.832 7.857 1.00 8.42 H new ATOM 0 HA ASN A 27 17.679 -11.166 10.210 1.00 7.78 H new ATOM 0 HB2 ASN A 27 18.637 -12.078 7.706 1.00 9.28 H new ATOM 0 HB3 ASN A 27 19.370 -12.477 9.024 1.00 9.28 H new ATOM 0 HD21 ASN A 27 17.129 -15.075 8.019 1.00 16.57 H new ATOM 0 HD22 ASN A 27 18.263 -14.375 7.355 1.00 16.57 H new ATOM 407 N GLN A 28 19.412 -9.224 8.342 1.00 8.34 N ATOM 408 CA GLN A 28 20.500 -8.255 8.325 1.00 10.00 C ATOM 409 C GLN A 28 20.157 -6.964 9.072 1.00 7.31 C ATOM 410 O GLN A 28 20.971 -6.467 9.844 1.00 8.49 O ATOM 411 CB GLN A 28 20.889 -7.926 6.882 1.00 15.70 C ATOM 412 CG GLN A 28 22.124 -7.021 6.792 1.00 21.85 C ATOM 413 CD GLN A 28 22.572 -6.779 5.361 1.00 24.46 C ATOM 414 OE1 GLN A 28 23.199 -7.640 4.740 1.00 25.89 O ATOM 415 NE2 GLN A 28 22.296 -5.584 4.848 1.00 28.77 N ATOM 0 H GLN A 28 18.963 -9.271 7.610 1.00 8.34 H new ATOM 0 HA GLN A 28 21.247 -8.665 8.787 1.00 10.00 H new ATOM 0 HB2 GLN A 28 21.062 -8.751 6.402 1.00 15.70 H new ATOM 0 HB3 GLN A 28 20.142 -7.492 6.441 1.00 15.70 H new ATOM 0 HG2 GLN A 28 21.928 -6.170 7.214 1.00 21.85 H new ATOM 0 HG3 GLN A 28 22.852 -7.423 7.291 1.00 21.85 H new ATOM 0 HE21 GLN A 28 21.856 -5.008 5.311 1.00 28.77 H new ATOM 0 HE22 GLN A 28 22.557 -5.387 4.053 1.00 28.77 H new ATOM 423 N MET A 29 18.946 -6.445 8.881 1.00 6.39 N ATOM 424 CA MET A 29 18.539 -5.201 9.541 1.00 6.23 C ATOM 425 C MET A 29 18.285 -5.353 11.047 1.00 6.59 C ATOM 426 O MET A 29 18.601 -4.445 11.818 1.00 6.83 O ATOM 427 CB MET A 29 17.282 -4.649 8.871 1.00 7.56 C ATOM 428 CG MET A 29 17.548 -4.099 7.472 1.00 9.68 C ATOM 429 SD MET A 29 18.739 -2.749 7.481 1.00 13.42 S ATOM 430 CE MET A 29 17.724 -1.410 8.099 1.00 15.31 C ATOM 0 H MET A 29 18.345 -6.795 8.375 1.00 6.39 H new ATOM 0 HA MET A 29 19.283 -4.587 9.444 1.00 6.23 H new ATOM 0 HB2 MET A 29 16.615 -5.351 8.816 1.00 7.56 H new ATOM 0 HB3 MET A 29 16.908 -3.946 9.425 1.00 7.56 H new ATOM 0 HG2 MET A 29 17.876 -4.813 6.903 1.00 9.68 H new ATOM 0 HG3 MET A 29 16.714 -3.789 7.085 1.00 9.68 H new ATOM 0 HE1 MET A 29 17.842 -0.628 7.537 1.00 15.31 H new ATOM 0 HE2 MET A 29 16.792 -1.678 8.087 1.00 15.31 H new ATOM 0 HE3 MET A 29 17.987 -1.197 9.008 1.00 15.31 H new ATOM 441 N MET A 30 17.706 -6.478 11.467 1.00 5.82 N ATOM 442 CA MET A 30 17.442 -6.702 12.891 1.00 6.68 C ATOM 443 C MET A 30 18.748 -6.764 13.663 1.00 7.09 C ATOM 444 O MET A 30 18.820 -6.331 14.812 1.00 8.06 O ATOM 445 CB MET A 30 16.649 -7.995 13.103 1.00 7.39 C ATOM 446 CG MET A 30 15.195 -7.881 12.635 1.00 7.30 C ATOM 447 SD MET A 30 14.295 -6.603 13.523 1.00 7.63 S ATOM 448 CE MET A 30 13.800 -7.482 14.996 1.00 9.97 C ATOM 0 H MET A 30 17.460 -7.119 10.950 1.00 5.82 H new ATOM 0 HA MET A 30 16.912 -5.959 13.220 1.00 6.68 H new ATOM 0 HB2 MET A 30 17.083 -8.718 12.624 1.00 7.39 H new ATOM 0 HB3 MET A 30 16.664 -8.229 14.044 1.00 7.39 H new ATOM 0 HG2 MET A 30 15.177 -7.686 11.685 1.00 7.30 H new ATOM 0 HG3 MET A 30 14.749 -8.734 12.758 1.00 7.30 H new ATOM 0 HE1 MET A 30 13.349 -6.872 15.601 1.00 9.97 H new ATOM 0 HE2 MET A 30 13.197 -8.203 14.756 1.00 9.97 H new ATOM 0 HE3 MET A 30 14.584 -7.849 15.433 1.00 9.97 H new ATOM 459 N LYS A 31 19.787 -7.276 13.017 1.00 7.32 N ATOM 460 CA LYS A 31 21.098 -7.383 13.641 1.00 9.08 C ATOM 461 C LYS A 31 21.851 -6.051 13.580 1.00 8.67 C ATOM 462 O LYS A 31 22.413 -5.607 14.578 1.00 8.75 O ATOM 463 CB LYS A 31 21.914 -8.472 12.940 1.00 13.68 C ATOM 464 CG LYS A 31 23.255 -8.738 13.606 1.00 19.85 C ATOM 465 CD LYS A 31 24.079 -9.734 12.803 1.00 24.85 C ATOM 466 CE LYS A 31 25.454 -9.927 13.425 1.00 29.14 C ATOM 467 NZ LYS A 31 26.325 -10.769 12.553 1.00 32.11 N ATOM 0 H LYS A 31 19.753 -7.570 12.209 1.00 7.32 H new ATOM 0 HA LYS A 31 20.973 -7.617 14.574 1.00 9.08 H new ATOM 0 HB2 LYS A 31 21.399 -9.294 12.924 1.00 13.68 H new ATOM 0 HB3 LYS A 31 22.064 -8.213 12.017 1.00 13.68 H new ATOM 0 HG2 LYS A 31 23.746 -7.906 13.695 1.00 19.85 H new ATOM 0 HG3 LYS A 31 23.112 -9.081 14.502 1.00 19.85 H new ATOM 0 HD2 LYS A 31 23.616 -10.585 12.763 1.00 24.85 H new ATOM 0 HD3 LYS A 31 24.174 -9.420 11.890 1.00 24.85 H new ATOM 0 HE2 LYS A 31 25.872 -9.063 13.567 1.00 29.14 H new ATOM 0 HE3 LYS A 31 25.363 -10.345 14.296 1.00 29.14 H new ATOM 0 HZ1 LYS A 31 27.122 -10.868 12.936 1.00 32.11 H new ATOM 0 HZ2 LYS A 31 25.949 -11.568 12.440 1.00 32.11 H new ATOM 0 HZ3 LYS A 31 26.424 -10.374 11.762 1.00 32.11 H new ATOM 482 N SER A 32 21.844 -5.414 12.412 1.00 7.44 N ATOM 483 CA SER A 32 22.540 -4.146 12.196 1.00 10.07 C ATOM 484 C SER A 32 22.043 -3.012 13.094 1.00 8.39 C ATOM 485 O SER A 32 22.839 -2.182 13.543 1.00 7.99 O ATOM 486 CB SER A 32 22.366 -3.727 10.742 1.00 12.42 C ATOM 487 OG SER A 32 23.017 -2.495 10.488 1.00 20.41 O ATOM 0 H SER A 32 21.432 -5.707 11.716 1.00 7.44 H new ATOM 0 HA SER A 32 23.471 -4.298 12.420 1.00 10.07 H new ATOM 0 HB2 SER A 32 22.726 -4.413 10.159 1.00 12.42 H new ATOM 0 HB3 SER A 32 21.422 -3.646 10.536 1.00 12.42 H new ATOM 0 HG SER A 32 22.454 -1.930 10.224 1.00 20.41 H new ATOM 493 N ARG A 33 20.734 -2.971 13.336 1.00 7.40 N ATOM 494 CA ARG A 33 20.132 -1.926 14.161 1.00 6.13 C ATOM 495 C ARG A 33 20.163 -2.258 15.651 1.00 5.96 C ATOM 496 O ARG A 33 19.574 -1.540 16.462 1.00 6.73 O ATOM 497 CB ARG A 33 18.690 -1.664 13.713 1.00 5.67 C ATOM 498 CG ARG A 33 18.589 -1.108 12.293 1.00 5.94 C ATOM 499 CD ARG A 33 19.280 0.248 12.164 1.00 7.52 C ATOM 500 NE ARG A 33 19.132 0.796 10.818 1.00 9.79 N ATOM 501 CZ ARG A 33 18.070 1.476 10.395 1.00 9.42 C ATOM 502 NH1 ARG A 33 17.049 1.707 11.209 1.00 7.97 N ATOM 503 NH2 ARG A 33 18.035 1.945 9.156 1.00 9.47 N ATOM 0 H ARG A 33 20.173 -3.545 13.028 1.00 7.40 H new ATOM 0 HA ARG A 33 20.666 -1.126 14.036 1.00 6.13 H new ATOM 0 HB2 ARG A 33 18.186 -2.491 13.766 1.00 5.67 H new ATOM 0 HB3 ARG A 33 18.275 -1.039 14.328 1.00 5.67 H new ATOM 0 HG2 ARG A 33 18.989 -1.735 11.671 1.00 5.94 H new ATOM 0 HG3 ARG A 33 17.655 -1.020 12.046 1.00 5.94 H new ATOM 0 HD2 ARG A 33 18.905 0.867 12.810 1.00 7.52 H new ATOM 0 HD3 ARG A 33 20.222 0.154 12.375 1.00 7.52 H new ATOM 0 HE ARG A 33 19.775 0.670 10.261 1.00 9.79 H new ATOM 0 HH11 ARG A 33 17.070 1.416 12.018 1.00 7.97 H new ATOM 0 HH12 ARG A 33 16.366 2.148 10.928 1.00 7.97 H new ATOM 0 HH21 ARG A 33 18.699 1.810 8.626 1.00 9.47 H new ATOM 0 HH22 ARG A 33 17.349 2.385 8.882 1.00 9.47 H new ATOM 518 N ASN A 34 20.857 -3.341 15.995 1.00 6.36 N ATOM 519 CA ASN A 34 21.035 -3.794 17.377 1.00 8.72 C ATOM 520 C ASN A 34 19.730 -4.150 18.089 1.00 9.69 C ATOM 521 O ASN A 34 19.553 -3.841 19.268 1.00 10.27 O ATOM 522 CB ASN A 34 21.790 -2.728 18.189 1.00 10.83 C ATOM 523 CG ASN A 34 23.222 -2.529 17.704 1.00 13.73 C ATOM 524 OD1 ASN A 34 23.941 -3.496 17.451 1.00 16.56 O ATOM 525 ND2 ASN A 34 23.652 -1.273 17.606 1.00 17.37 N ATOM 0 H ASN A 34 21.247 -3.846 15.419 1.00 6.36 H new ATOM 0 HA ASN A 34 21.551 -4.614 17.323 1.00 8.72 H new ATOM 0 HB2 ASN A 34 21.313 -1.885 18.133 1.00 10.83 H new ATOM 0 HB3 ASN A 34 21.801 -2.986 19.124 1.00 10.83 H new ATOM 0 HD21 ASN A 34 24.460 -1.113 17.358 1.00 17.37 H new ATOM 0 HD22 ASN A 34 23.122 -0.621 17.791 1.00 17.37 H new ATOM 533 N LEU A 35 18.829 -4.824 17.382 1.00 9.08 N ATOM 534 CA LEU A 35 17.554 -5.230 17.966 1.00 9.07 C ATOM 535 C LEU A 35 17.615 -6.681 18.454 1.00 7.71 C ATOM 536 O LEU A 35 16.655 -7.182 19.040 1.00 9.54 O ATOM 537 CB LEU A 35 16.435 -5.081 16.928 1.00 8.14 C ATOM 538 CG LEU A 35 16.332 -3.668 16.340 1.00 12.38 C ATOM 539 CD1 LEU A 35 15.164 -3.597 15.365 1.00 13.66 C ATOM 540 CD2 LEU A 35 16.151 -2.645 17.440 1.00 15.14 C ATOM 0 H LEU A 35 18.936 -5.057 16.561 1.00 9.08 H new ATOM 0 HA LEU A 35 17.370 -4.657 18.726 1.00 9.07 H new ATOM 0 HB2 LEU A 35 16.585 -5.713 16.208 1.00 8.14 H new ATOM 0 HB3 LEU A 35 15.588 -5.315 17.339 1.00 8.14 H new ATOM 0 HG LEU A 35 17.155 -3.469 15.867 1.00 12.38 H new ATOM 0 HD11 LEU A 35 15.104 -2.702 14.997 1.00 13.66 H new ATOM 0 HD12 LEU A 35 15.303 -4.233 14.646 1.00 13.66 H new ATOM 0 HD13 LEU A 35 14.340 -3.811 15.830 1.00 13.66 H new ATOM 0 HD21 LEU A 35 16.088 -1.759 17.051 1.00 15.14 H new ATOM 0 HD22 LEU A 35 15.339 -2.840 17.933 1.00 15.14 H new ATOM 0 HD23 LEU A 35 16.910 -2.680 18.043 1.00 15.14 H new ATOM 553 N THR A 36 18.743 -7.348 18.222 1.00 8.87 N ATOM 554 CA THR A 36 18.916 -8.739 18.645 1.00 10.81 C ATOM 555 C THR A 36 20.094 -8.880 19.619 1.00 11.80 C ATOM 556 O THR A 36 20.561 -9.987 19.883 1.00 12.41 O ATOM 557 CB THR A 36 19.156 -9.642 17.426 1.00 10.92 C ATOM 558 OG1 THR A 36 20.320 -9.240 16.728 1.00 13.27 O ATOM 559 CG2 THR A 36 18.021 -9.611 16.441 1.00 13.59 C ATOM 0 H THR A 36 19.425 -7.012 17.819 1.00 8.87 H new ATOM 0 HA THR A 36 18.103 -9.012 19.097 1.00 10.81 H new ATOM 0 HB THR A 36 19.246 -10.540 17.783 1.00 10.92 H new ATOM 0 HG1 THR A 36 20.604 -9.880 16.264 1.00 13.27 H new ATOM 0 HG21 THR A 36 18.224 -10.196 15.694 1.00 13.59 H new ATOM 0 HG22 THR A 36 17.207 -9.912 16.875 1.00 13.59 H new ATOM 0 HG23 THR A 36 17.898 -8.705 16.117 1.00 13.59 H new ATOM 568 N LYS A 37 20.522 -7.755 20.186 1.00 14.47 N ATOM 569 CA LYS A 37 21.654 -7.712 21.108 1.00 17.82 C ATOM 570 C LYS A 37 21.439 -8.513 22.399 1.00 14.93 C ATOM 571 O LYS A 37 22.281 -9.333 22.760 1.00 15.97 O ATOM 572 CB LYS A 37 21.951 -6.251 21.464 1.00 22.74 C ATOM 573 CG LYS A 37 23.124 -6.076 22.426 1.00 27.57 C ATOM 574 CD LYS A 37 23.366 -4.607 22.745 1.00 30.46 C ATOM 575 CE LYS A 37 22.256 -4.035 23.613 1.00 32.07 C ATOM 576 NZ LYS A 37 22.538 -2.616 23.971 1.00 33.55 N ATOM 0 H LYS A 37 20.160 -6.988 20.045 1.00 14.47 H new ATOM 0 HA LYS A 37 22.401 -8.128 20.650 1.00 17.82 H new ATOM 0 HB2 LYS A 37 22.137 -5.760 20.648 1.00 22.74 H new ATOM 0 HB3 LYS A 37 21.158 -5.856 21.859 1.00 22.74 H new ATOM 0 HG2 LYS A 37 22.947 -6.562 23.247 1.00 27.57 H new ATOM 0 HG3 LYS A 37 23.925 -6.460 22.036 1.00 27.57 H new ATOM 0 HD2 LYS A 37 24.217 -4.509 23.200 1.00 30.46 H new ATOM 0 HD3 LYS A 37 23.426 -4.101 21.920 1.00 30.46 H new ATOM 0 HE2 LYS A 37 21.410 -4.092 23.142 1.00 32.07 H new ATOM 0 HE3 LYS A 37 22.167 -4.565 24.421 1.00 32.07 H new ATOM 0 HZ1 LYS A 37 21.878 -2.301 24.478 1.00 33.55 H new ATOM 0 HZ2 LYS A 37 23.305 -2.570 24.420 1.00 33.55 H new ATOM 0 HZ3 LYS A 37 22.600 -2.129 23.229 1.00 33.55 H new ATOM 588 N ASP A 38 20.324 -8.273 23.088 1.00 12.46 N ATOM 589 CA ASP A 38 20.035 -8.946 24.359 1.00 13.14 C ATOM 590 C ASP A 38 19.144 -10.170 24.194 1.00 11.40 C ATOM 591 O ASP A 38 19.247 -11.126 24.961 1.00 10.57 O ATOM 592 CB ASP A 38 19.348 -7.973 25.322 1.00 13.53 C ATOM 593 CG ASP A 38 20.161 -6.708 25.557 1.00 17.16 C ATOM 594 OD1 ASP A 38 21.388 -6.809 25.780 1.00 18.32 O ATOM 595 OD2 ASP A 38 19.566 -5.610 25.519 1.00 18.55 O ATOM 0 H ASP A 38 19.716 -7.719 22.836 1.00 12.46 H new ATOM 0 HA ASP A 38 20.889 -9.242 24.712 1.00 13.14 H new ATOM 0 HB2 ASP A 38 18.478 -7.733 24.967 1.00 13.53 H new ATOM 0 HB3 ASP A 38 19.195 -8.417 26.171 1.00 13.53 H new ATOM 601 N ARG A 39 18.256 -10.118 23.206 1.00 9.66 N ATOM 602 CA ARG A 39 17.329 -11.206 22.924 1.00 9.47 C ATOM 603 C ARG A 39 16.779 -11.026 21.510 1.00 6.56 C ATOM 604 O ARG A 39 16.931 -9.965 20.902 1.00 6.89 O ATOM 605 CB ARG A 39 16.158 -11.180 23.912 1.00 11.37 C ATOM 606 CG ARG A 39 15.288 -9.935 23.759 1.00 15.05 C ATOM 607 CD ARG A 39 14.129 -9.931 24.741 1.00 20.09 C ATOM 608 NE ARG A 39 13.350 -8.700 24.622 1.00 23.90 N ATOM 609 CZ ARG A 39 12.133 -8.632 24.090 1.00 25.35 C ATOM 610 NH1 ARG A 39 11.541 -9.725 23.631 1.00 26.03 N ATOM 611 NH2 ARG A 39 11.517 -7.462 23.987 1.00 29.22 N ATOM 0 H ARG A 39 18.175 -9.445 22.677 1.00 9.66 H new ATOM 0 HA ARG A 39 17.797 -12.052 23.008 1.00 9.47 H new ATOM 0 HB2 ARG A 39 15.611 -11.970 23.781 1.00 11.37 H new ATOM 0 HB3 ARG A 39 16.503 -11.220 24.818 1.00 11.37 H new ATOM 0 HG2 ARG A 39 15.831 -9.143 23.896 1.00 15.05 H new ATOM 0 HG3 ARG A 39 14.944 -9.890 22.853 1.00 15.05 H new ATOM 0 HD2 ARG A 39 13.558 -10.697 24.576 1.00 20.09 H new ATOM 0 HD3 ARG A 39 14.467 -10.019 25.646 1.00 20.09 H new ATOM 0 HE ARG A 39 13.702 -7.972 24.915 1.00 23.90 H new ATOM 0 HH11 ARG A 39 11.944 -10.483 23.676 1.00 26.03 H new ATOM 0 HH12 ARG A 39 10.754 -9.676 23.288 1.00 26.03 H new ATOM 0 HH21 ARG A 39 11.905 -6.746 24.264 1.00 29.22 H new ATOM 0 HH22 ARG A 39 10.730 -7.419 23.643 1.00 29.22 H new ATOM 626 N CYS A 40 16.115 -12.056 21.004 1.00 7.33 N ATOM 627 CA CYS A 40 15.530 -11.977 19.680 1.00 7.67 C ATOM 628 C CYS A 40 14.166 -11.307 19.774 1.00 8.79 C ATOM 629 O CYS A 40 13.204 -11.919 20.246 1.00 11.60 O ATOM 630 CB CYS A 40 15.362 -13.372 19.075 1.00 7.13 C ATOM 631 SG CYS A 40 16.909 -14.319 18.920 1.00 7.80 S ATOM 0 H CYS A 40 15.994 -12.804 21.410 1.00 7.33 H new ATOM 0 HA CYS A 40 16.121 -11.460 19.111 1.00 7.67 H new ATOM 0 HB2 CYS A 40 14.741 -13.877 19.623 1.00 7.13 H new ATOM 0 HB3 CYS A 40 14.960 -13.285 18.197 1.00 7.13 H new ATOM 637 N LYS A 41 14.097 -10.037 19.380 1.00 11.22 N ATOM 638 CA LYS A 41 12.828 -9.311 19.371 1.00 12.47 C ATOM 639 C LYS A 41 11.939 -10.130 18.419 1.00 10.96 C ATOM 640 O LYS A 41 12.327 -10.401 17.285 1.00 10.70 O ATOM 641 CB LYS A 41 13.033 -7.881 18.853 1.00 17.37 C ATOM 642 CG LYS A 41 11.894 -6.947 19.224 1.00 22.23 C ATOM 643 CD LYS A 41 12.040 -5.583 18.567 1.00 27.03 C ATOM 644 CE LYS A 41 10.916 -4.657 19.017 1.00 29.33 C ATOM 645 NZ LYS A 41 10.822 -3.435 18.165 1.00 32.45 N ATOM 0 H LYS A 41 14.773 -9.577 19.114 1.00 11.22 H new ATOM 0 HA LYS A 41 12.435 -9.221 20.253 1.00 12.47 H new ATOM 0 HB2 LYS A 41 13.863 -7.529 19.210 1.00 17.37 H new ATOM 0 HB3 LYS A 41 13.126 -7.902 17.888 1.00 17.37 H new ATOM 0 HG2 LYS A 41 11.050 -7.345 18.958 1.00 22.23 H new ATOM 0 HG3 LYS A 41 11.865 -6.840 20.188 1.00 22.23 H new ATOM 0 HD2 LYS A 41 12.899 -5.196 18.798 1.00 27.03 H new ATOM 0 HD3 LYS A 41 12.022 -5.678 17.602 1.00 27.03 H new ATOM 0 HE2 LYS A 41 10.073 -5.136 18.988 1.00 29.33 H new ATOM 0 HE3 LYS A 41 11.063 -4.396 19.940 1.00 29.33 H new ATOM 0 HZ1 LYS A 41 10.061 -3.009 18.340 1.00 32.45 H new ATOM 0 HZ2 LYS A 41 11.510 -2.897 18.340 1.00 32.45 H new ATOM 0 HZ3 LYS A 41 10.840 -3.669 17.307 1.00 32.45 H new ATOM 660 N PRO A 42 10.742 -10.538 18.869 1.00 10.74 N ATOM 661 CA PRO A 42 9.828 -11.348 18.051 1.00 11.28 C ATOM 662 C PRO A 42 9.286 -10.730 16.764 1.00 9.72 C ATOM 663 O PRO A 42 9.170 -11.421 15.757 1.00 10.71 O ATOM 664 CB PRO A 42 8.694 -11.691 19.019 1.00 12.88 C ATOM 665 CG PRO A 42 8.724 -10.630 20.047 1.00 13.93 C ATOM 666 CD PRO A 42 10.144 -10.184 20.171 1.00 11.66 C ATOM 0 HA PRO A 42 10.318 -12.104 17.693 1.00 11.28 H new ATOM 0 HB2 PRO A 42 7.838 -11.712 18.562 1.00 12.88 H new ATOM 0 HB3 PRO A 42 8.825 -12.566 19.416 1.00 12.88 H new ATOM 0 HG2 PRO A 42 8.152 -9.889 19.792 1.00 13.93 H new ATOM 0 HG3 PRO A 42 8.394 -10.965 20.896 1.00 13.93 H new ATOM 0 HD2 PRO A 42 10.204 -9.231 20.342 1.00 11.66 H new ATOM 0 HD3 PRO A 42 10.595 -10.633 20.903 1.00 11.66 H new ATOM 674 N VAL A 43 8.956 -9.445 16.788 1.00 8.46 N ATOM 675 CA VAL A 43 8.406 -8.805 15.598 1.00 9.91 C ATOM 676 C VAL A 43 8.811 -7.335 15.555 1.00 7.78 C ATOM 677 O VAL A 43 8.988 -6.698 16.594 1.00 8.98 O ATOM 678 CB VAL A 43 6.850 -8.935 15.571 1.00 14.49 C ATOM 679 CG1 VAL A 43 6.218 -8.031 16.614 1.00 17.50 C ATOM 680 CG2 VAL A 43 6.315 -8.598 14.181 1.00 18.82 C ATOM 0 H VAL A 43 9.040 -8.931 17.472 1.00 8.46 H new ATOM 0 HA VAL A 43 8.765 -9.253 14.816 1.00 9.91 H new ATOM 0 HB VAL A 43 6.616 -9.853 15.781 1.00 14.49 H new ATOM 0 HG11 VAL A 43 5.253 -8.125 16.582 1.00 17.50 H new ATOM 0 HG12 VAL A 43 6.538 -8.280 17.495 1.00 17.50 H new ATOM 0 HG13 VAL A 43 6.459 -7.109 16.432 1.00 17.50 H new ATOM 0 HG21 VAL A 43 5.349 -8.682 14.177 1.00 18.82 H new ATOM 0 HG22 VAL A 43 6.561 -7.688 13.951 1.00 18.82 H new ATOM 0 HG23 VAL A 43 6.695 -9.209 13.531 1.00 18.82 H new ATOM 691 N ASN A 44 8.981 -6.815 14.341 1.00 5.94 N ATOM 692 CA ASN A 44 9.362 -5.424 14.138 1.00 5.95 C ATOM 693 C ASN A 44 8.984 -5.007 12.725 1.00 5.91 C ATOM 694 O ASN A 44 8.877 -5.845 11.833 1.00 9.00 O ATOM 695 CB ASN A 44 10.877 -5.263 14.327 1.00 5.92 C ATOM 696 CG ASN A 44 11.303 -3.807 14.387 1.00 8.59 C ATOM 697 OD1 ASN A 44 10.796 -3.036 15.197 1.00 10.78 O ATOM 698 ND2 ASN A 44 12.255 -3.434 13.546 1.00 10.68 N ATOM 0 H ASN A 44 8.878 -7.261 13.613 1.00 5.94 H new ATOM 0 HA ASN A 44 8.900 -4.866 14.783 1.00 5.95 H new ATOM 0 HB2 ASN A 44 11.147 -5.710 15.144 1.00 5.92 H new ATOM 0 HB3 ASN A 44 11.340 -5.703 13.597 1.00 5.92 H new ATOM 0 HD21 ASN A 44 12.542 -2.623 13.553 1.00 10.68 H new ATOM 0 HD22 ASN A 44 12.587 -4.002 12.992 1.00 10.68 H new ATOM 706 N THR A 45 8.786 -3.711 12.520 1.00 6.30 N ATOM 707 CA THR A 45 8.438 -3.204 11.197 1.00 5.55 C ATOM 708 C THR A 45 9.338 -2.039 10.817 1.00 4.98 C ATOM 709 O THR A 45 9.614 -1.166 11.638 1.00 4.47 O ATOM 710 CB THR A 45 6.982 -2.735 11.186 1.00 7.83 C ATOM 711 OG1 THR A 45 6.128 -3.836 11.443 1.00 11.14 O ATOM 712 CG2 THR A 45 6.567 -2.132 9.848 1.00 9.58 C ATOM 0 H THR A 45 8.848 -3.109 13.131 1.00 6.30 H new ATOM 0 HA THR A 45 8.558 -3.921 10.555 1.00 5.55 H new ATOM 0 HB THR A 45 6.906 -2.051 11.870 1.00 7.83 H new ATOM 0 HG1 THR A 45 6.584 -4.540 11.489 1.00 11.14 H new ATOM 0 HG21 THR A 45 5.640 -1.852 9.893 1.00 9.58 H new ATOM 0 HG22 THR A 45 7.127 -1.365 9.651 1.00 9.58 H new ATOM 0 HG23 THR A 45 6.670 -2.795 9.148 1.00 9.58 H new ATOM 721 N PHE A 46 9.824 -2.060 9.579 1.00 4.62 N ATOM 722 CA PHE A 46 10.656 -0.989 9.050 1.00 4.34 C ATOM 723 C PHE A 46 9.846 -0.232 8.002 1.00 3.26 C ATOM 724 O PHE A 46 9.155 -0.840 7.186 1.00 5.54 O ATOM 725 CB PHE A 46 11.931 -1.543 8.408 1.00 4.36 C ATOM 726 CG PHE A 46 12.915 -2.095 9.400 1.00 3.75 C ATOM 727 CD1 PHE A 46 13.784 -1.256 10.085 1.00 6.77 C ATOM 728 CD2 PHE A 46 12.972 -3.456 9.639 1.00 5.36 C ATOM 729 CE1 PHE A 46 14.694 -1.777 10.993 1.00 7.56 C ATOM 730 CE2 PHE A 46 13.875 -3.979 10.543 1.00 5.54 C ATOM 731 CZ PHE A 46 14.738 -3.139 11.219 1.00 6.91 C ATOM 0 H PHE A 46 9.679 -2.699 9.022 1.00 4.62 H new ATOM 0 HA PHE A 46 10.920 -0.402 9.776 1.00 4.34 H new ATOM 0 HB2 PHE A 46 11.690 -2.242 7.780 1.00 4.36 H new ATOM 0 HB3 PHE A 46 12.359 -0.838 7.897 1.00 4.36 H new ATOM 0 HD1 PHE A 46 13.756 -0.339 9.934 1.00 6.77 H new ATOM 0 HD2 PHE A 46 12.395 -4.026 9.185 1.00 5.36 H new ATOM 0 HE1 PHE A 46 15.274 -1.210 11.449 1.00 7.56 H new ATOM 0 HE2 PHE A 46 13.902 -4.896 10.697 1.00 5.54 H new ATOM 0 HZ PHE A 46 15.349 -3.490 11.826 1.00 6.91 H new ATOM 742 N VAL A 47 9.942 1.094 8.034 1.00 4.21 N ATOM 743 CA VAL A 47 9.217 1.961 7.108 1.00 6.24 C ATOM 744 C VAL A 47 10.198 2.551 6.092 1.00 4.84 C ATOM 745 O VAL A 47 11.225 3.123 6.463 1.00 5.43 O ATOM 746 CB VAL A 47 8.498 3.095 7.890 1.00 6.65 C ATOM 747 CG1 VAL A 47 7.678 3.964 6.954 1.00 7.28 C ATOM 748 CG2 VAL A 47 7.593 2.489 8.954 1.00 7.47 C ATOM 0 H VAL A 47 10.433 1.519 8.597 1.00 4.21 H new ATOM 0 HA VAL A 47 8.546 1.442 6.637 1.00 6.24 H new ATOM 0 HB VAL A 47 9.171 3.651 8.312 1.00 6.65 H new ATOM 0 HG11 VAL A 47 7.239 4.664 7.463 1.00 7.28 H new ATOM 0 HG12 VAL A 47 8.261 4.365 6.290 1.00 7.28 H new ATOM 0 HG13 VAL A 47 7.009 3.420 6.510 1.00 7.28 H new ATOM 0 HG21 VAL A 47 7.145 3.199 9.441 1.00 7.47 H new ATOM 0 HG22 VAL A 47 6.931 1.920 8.530 1.00 7.47 H new ATOM 0 HG23 VAL A 47 8.125 1.961 9.570 1.00 7.47 H new ATOM 759 N HIS A 48 9.873 2.390 4.809 1.00 4.02 N ATOM 760 CA HIS A 48 10.701 2.872 3.700 1.00 5.14 C ATOM 761 C HIS A 48 10.165 4.185 3.150 1.00 5.17 C ATOM 762 O HIS A 48 9.615 4.235 2.049 1.00 7.03 O ATOM 763 CB HIS A 48 10.718 1.854 2.564 1.00 5.77 C ATOM 764 CG HIS A 48 11.197 0.502 2.972 1.00 6.29 C ATOM 765 ND1 HIS A 48 12.529 0.146 2.960 1.00 9.93 N ATOM 766 CD2 HIS A 48 10.523 -0.601 3.376 1.00 7.98 C ATOM 767 CE1 HIS A 48 12.657 -1.112 3.343 1.00 8.50 C ATOM 768 NE2 HIS A 48 11.452 -1.584 3.601 1.00 9.75 N ATOM 0 H HIS A 48 9.155 1.992 4.554 1.00 4.02 H new ATOM 0 HA HIS A 48 11.598 3.004 4.046 1.00 5.14 H new ATOM 0 HB2 HIS A 48 9.823 1.774 2.200 1.00 5.77 H new ATOM 0 HB3 HIS A 48 11.285 2.187 1.851 1.00 5.77 H new ATOM 0 HD2 HIS A 48 9.602 -0.677 3.481 1.00 7.98 H new ATOM 0 HE1 HIS A 48 13.456 -1.582 3.418 1.00 8.50 H new ATOM 0 HE2 HIS A 48 11.277 -2.382 3.868 1.00 9.75 H new ATOM 778 N GLU A 49 10.302 5.239 3.936 1.00 6.61 N ATOM 779 CA GLU A 49 9.839 6.570 3.553 1.00 6.51 C ATOM 780 C GLU A 49 10.788 7.577 4.165 1.00 6.78 C ATOM 781 O GLU A 49 11.631 7.217 4.987 1.00 5.82 O ATOM 782 CB GLU A 49 8.429 6.840 4.105 1.00 8.75 C ATOM 783 CG GLU A 49 7.352 5.850 3.642 1.00 8.91 C ATOM 784 CD GLU A 49 7.003 5.985 2.168 1.00 10.83 C ATOM 785 OE1 GLU A 49 7.331 7.020 1.557 1.00 12.79 O ATOM 786 OE2 GLU A 49 6.399 5.043 1.617 1.00 10.62 O ATOM 0 H GLU A 49 10.668 5.207 4.713 1.00 6.61 H new ATOM 0 HA GLU A 49 9.813 6.636 2.586 1.00 6.51 H new ATOM 0 HB2 GLU A 49 8.467 6.826 5.074 1.00 8.75 H new ATOM 0 HB3 GLU A 49 8.160 7.735 3.845 1.00 8.75 H new ATOM 0 HG2 GLU A 49 7.658 4.946 3.814 1.00 8.91 H new ATOM 0 HG3 GLU A 49 6.550 5.984 4.171 1.00 8.91 H new ATOM 794 N SER A 50 10.653 8.841 3.778 1.00 7.24 N ATOM 795 CA SER A 50 11.495 9.880 4.347 1.00 8.52 C ATOM 796 C SER A 50 11.050 10.089 5.789 1.00 9.36 C ATOM 797 O SER A 50 9.878 9.894 6.117 1.00 7.79 O ATOM 798 CB SER A 50 11.356 11.188 3.564 1.00 12.15 C ATOM 799 OG SER A 50 10.135 11.851 3.846 1.00 13.93 O ATOM 0 H SER A 50 10.085 9.114 3.193 1.00 7.24 H new ATOM 0 HA SER A 50 12.426 9.612 4.305 1.00 8.52 H new ATOM 0 HB2 SER A 50 12.098 11.774 3.781 1.00 12.15 H new ATOM 0 HB3 SER A 50 11.410 11.002 2.614 1.00 12.15 H new ATOM 0 HG SER A 50 10.093 12.563 3.402 1.00 13.93 H new ATOM 806 N LEU A 51 11.991 10.457 6.649 1.00 9.71 N ATOM 807 CA LEU A 51 11.682 10.699 8.056 1.00 10.02 C ATOM 808 C LEU A 51 10.613 11.785 8.184 1.00 9.47 C ATOM 809 O LEU A 51 9.707 11.668 9.001 1.00 8.49 O ATOM 810 CB LEU A 51 12.951 11.116 8.805 1.00 11.74 C ATOM 811 CG LEU A 51 12.763 11.397 10.299 1.00 13.66 C ATOM 812 CD1 LEU A 51 12.331 10.130 11.027 1.00 12.53 C ATOM 813 CD2 LEU A 51 14.070 11.923 10.875 1.00 13.23 C ATOM 0 H LEU A 51 12.817 10.573 6.439 1.00 9.71 H new ATOM 0 HA LEU A 51 11.340 9.880 8.447 1.00 10.02 H new ATOM 0 HB2 LEU A 51 13.614 10.416 8.703 1.00 11.74 H new ATOM 0 HB3 LEU A 51 13.311 11.912 8.384 1.00 11.74 H new ATOM 0 HG LEU A 51 12.068 12.063 10.418 1.00 13.66 H new ATOM 0 HD11 LEU A 51 12.216 10.322 11.971 1.00 12.53 H new ATOM 0 HD12 LEU A 51 11.492 9.814 10.657 1.00 12.53 H new ATOM 0 HD13 LEU A 51 13.010 9.446 10.917 1.00 12.53 H new ATOM 0 HD21 LEU A 51 13.957 12.103 11.821 1.00 13.23 H new ATOM 0 HD22 LEU A 51 14.768 11.260 10.753 1.00 13.23 H new ATOM 0 HD23 LEU A 51 14.319 12.742 10.418 1.00 13.23 H new ATOM 826 N ALA A 52 10.706 12.815 7.347 1.00 9.27 N ATOM 827 CA ALA A 52 9.753 13.921 7.363 1.00 9.99 C ATOM 828 C ALA A 52 8.318 13.448 7.144 1.00 8.81 C ATOM 829 O ALA A 52 7.406 13.910 7.832 1.00 9.29 O ATOM 830 CB ALA A 52 10.123 14.938 6.287 1.00 13.46 C ATOM 0 H ALA A 52 11.324 12.892 6.754 1.00 9.27 H new ATOM 0 HA ALA A 52 9.799 14.331 8.241 1.00 9.99 H new ATOM 0 HB1 ALA A 52 9.487 15.671 6.302 1.00 13.46 H new ATOM 0 HB2 ALA A 52 11.014 15.280 6.458 1.00 13.46 H new ATOM 0 HB3 ALA A 52 10.103 14.510 5.417 1.00 13.46 H new ATOM 837 N ASP A 53 8.113 12.529 6.200 1.00 8.77 N ATOM 838 CA ASP A 53 6.770 12.036 5.917 1.00 8.50 C ATOM 839 C ASP A 53 6.208 11.193 7.054 1.00 7.09 C ATOM 840 O ASP A 53 4.998 11.179 7.272 1.00 7.52 O ATOM 841 CB ASP A 53 6.755 11.228 4.616 1.00 9.31 C ATOM 842 CG ASP A 53 6.857 12.115 3.379 1.00 12.85 C ATOM 843 OD1 ASP A 53 6.898 13.358 3.521 1.00 11.75 O ATOM 844 OD2 ASP A 53 6.888 11.572 2.256 1.00 14.08 O ATOM 0 H ASP A 53 8.734 12.182 5.717 1.00 8.77 H new ATOM 0 HA ASP A 53 6.201 12.816 5.821 1.00 8.50 H new ATOM 0 HB2 ASP A 53 7.493 10.598 4.621 1.00 9.31 H new ATOM 0 HB3 ASP A 53 5.938 10.707 4.571 1.00 9.31 H new ATOM 850 N VAL A 54 7.077 10.511 7.790 1.00 6.01 N ATOM 851 CA VAL A 54 6.626 9.685 8.902 1.00 6.72 C ATOM 852 C VAL A 54 6.323 10.579 10.109 1.00 7.34 C ATOM 853 O VAL A 54 5.319 10.382 10.793 1.00 4.84 O ATOM 854 CB VAL A 54 7.688 8.604 9.250 1.00 7.21 C ATOM 855 CG1 VAL A 54 7.291 7.840 10.515 1.00 8.34 C ATOM 856 CG2 VAL A 54 7.804 7.621 8.083 1.00 7.48 C ATOM 0 H VAL A 54 7.928 10.513 7.663 1.00 6.01 H new ATOM 0 HA VAL A 54 5.814 9.220 8.648 1.00 6.72 H new ATOM 0 HB VAL A 54 8.539 9.042 9.407 1.00 7.21 H new ATOM 0 HG11 VAL A 54 7.965 7.172 10.715 1.00 8.34 H new ATOM 0 HG12 VAL A 54 7.220 8.459 11.258 1.00 8.34 H new ATOM 0 HG13 VAL A 54 6.436 7.404 10.375 1.00 8.34 H new ATOM 0 HG21 VAL A 54 8.466 6.944 8.295 1.00 7.48 H new ATOM 0 HG22 VAL A 54 6.945 7.197 7.930 1.00 7.48 H new ATOM 0 HG23 VAL A 54 8.075 8.098 7.283 1.00 7.48 H new ATOM 867 N GLN A 55 7.157 11.594 10.328 1.00 7.82 N ATOM 868 CA GLN A 55 6.953 12.530 11.432 1.00 7.48 C ATOM 869 C GLN A 55 5.647 13.307 11.241 1.00 8.49 C ATOM 870 O GLN A 55 4.976 13.656 12.211 1.00 8.08 O ATOM 871 CB GLN A 55 8.110 13.528 11.519 1.00 10.37 C ATOM 872 CG GLN A 55 9.421 12.940 12.042 1.00 11.29 C ATOM 873 CD GLN A 55 10.578 13.929 11.924 1.00 11.94 C ATOM 874 OE1 GLN A 55 10.573 14.809 11.061 1.00 14.57 O ATOM 875 NE2 GLN A 55 11.563 13.800 12.801 1.00 15.29 N ATOM 0 H GLN A 55 7.850 11.758 9.846 1.00 7.82 H new ATOM 0 HA GLN A 55 6.910 12.013 12.252 1.00 7.48 H new ATOM 0 HB2 GLN A 55 8.266 13.902 10.638 1.00 10.37 H new ATOM 0 HB3 GLN A 55 7.846 14.262 12.096 1.00 10.37 H new ATOM 0 HG2 GLN A 55 9.311 12.681 12.970 1.00 11.29 H new ATOM 0 HG3 GLN A 55 9.634 12.134 11.546 1.00 11.29 H new ATOM 0 HE21 GLN A 55 11.535 13.174 13.390 1.00 15.29 H new ATOM 0 HE22 GLN A 55 12.230 14.342 12.781 1.00 15.29 H new ATOM 885 N ALA A 56 5.281 13.553 9.982 1.00 8.67 N ATOM 886 CA ALA A 56 4.065 14.292 9.655 1.00 10.62 C ATOM 887 C ALA A 56 2.790 13.543 10.043 1.00 9.14 C ATOM 888 O ALA A 56 1.723 14.152 10.142 1.00 10.89 O ATOM 889 CB ALA A 56 4.036 14.605 8.166 1.00 9.91 C ATOM 0 H ALA A 56 5.731 13.296 9.296 1.00 8.67 H new ATOM 0 HA ALA A 56 4.086 15.111 10.174 1.00 10.62 H new ATOM 0 HB1 ALA A 56 3.227 15.096 7.954 1.00 9.91 H new ATOM 0 HB2 ALA A 56 4.810 15.142 7.933 1.00 9.91 H new ATOM 0 HB3 ALA A 56 4.053 13.777 7.661 1.00 9.91 H new ATOM 896 N VAL A 57 2.892 12.232 10.251 1.00 8.10 N ATOM 897 CA VAL A 57 1.727 11.435 10.622 1.00 7.93 C ATOM 898 C VAL A 57 1.149 11.887 11.972 1.00 8.06 C ATOM 899 O VAL A 57 -0.042 11.711 12.232 1.00 8.00 O ATOM 900 CB VAL A 57 2.076 9.921 10.680 1.00 7.05 C ATOM 901 CG1 VAL A 57 0.874 9.116 11.180 1.00 7.38 C ATOM 902 CG2 VAL A 57 2.475 9.427 9.297 1.00 7.97 C ATOM 0 H VAL A 57 3.625 11.787 10.183 1.00 8.10 H new ATOM 0 HA VAL A 57 1.056 11.574 9.935 1.00 7.93 H new ATOM 0 HB VAL A 57 2.817 9.799 11.294 1.00 7.05 H new ATOM 0 HG11 VAL A 57 1.105 8.174 11.211 1.00 7.38 H new ATOM 0 HG12 VAL A 57 0.629 9.418 12.069 1.00 7.38 H new ATOM 0 HG13 VAL A 57 0.125 9.245 10.577 1.00 7.38 H new ATOM 0 HG21 VAL A 57 2.691 8.482 9.341 1.00 7.97 H new ATOM 0 HG22 VAL A 57 1.739 9.562 8.680 1.00 7.97 H new ATOM 0 HG23 VAL A 57 3.250 9.922 8.988 1.00 7.97 H new ATOM 913 N CYS A 58 1.982 12.494 12.816 1.00 6.84 N ATOM 914 CA CYS A 58 1.537 12.976 14.126 1.00 7.41 C ATOM 915 C CYS A 58 0.533 14.128 14.011 1.00 8.10 C ATOM 916 O CYS A 58 -0.053 14.543 15.011 1.00 10.09 O ATOM 917 CB CYS A 58 2.737 13.433 14.960 1.00 8.67 C ATOM 918 SG CYS A 58 3.832 12.070 15.467 1.00 9.22 S ATOM 0 H CYS A 58 2.813 12.638 12.649 1.00 6.84 H new ATOM 0 HA CYS A 58 1.092 12.233 14.563 1.00 7.41 H new ATOM 0 HB2 CYS A 58 3.251 14.077 14.448 1.00 8.67 H new ATOM 0 HB3 CYS A 58 2.415 13.891 15.752 1.00 8.67 H new ATOM 924 N SER A 59 0.334 14.632 12.795 1.00 9.52 N ATOM 925 CA SER A 59 -0.608 15.718 12.540 1.00 13.04 C ATOM 926 C SER A 59 -1.725 15.243 11.611 1.00 11.97 C ATOM 927 O SER A 59 -2.396 16.062 10.981 1.00 12.79 O ATOM 928 CB SER A 59 0.111 16.900 11.882 1.00 15.12 C ATOM 929 OG SER A 59 1.103 17.439 12.740 1.00 20.09 O ATOM 0 H SER A 59 0.743 14.352 12.092 1.00 9.52 H new ATOM 0 HA SER A 59 -0.986 15.997 13.389 1.00 13.04 H new ATOM 0 HB2 SER A 59 0.520 16.611 11.051 1.00 15.12 H new ATOM 0 HB3 SER A 59 -0.534 17.589 11.656 1.00 15.12 H new ATOM 0 HG SER A 59 1.484 18.083 12.358 1.00 20.09 H new ATOM 935 N GLN A 60 -1.929 13.929 11.522 1.00 10.95 N ATOM 936 CA GLN A 60 -2.957 13.394 10.640 1.00 9.41 C ATOM 937 C GLN A 60 -4.177 12.844 11.403 1.00 8.82 C ATOM 938 O GLN A 60 -4.706 13.544 12.266 1.00 11.84 O ATOM 939 CB GLN A 60 -2.310 12.382 9.690 1.00 9.83 C ATOM 940 CG GLN A 60 -1.300 13.101 8.775 1.00 10.64 C ATOM 941 CD GLN A 60 -0.565 12.196 7.800 1.00 11.69 C ATOM 942 OE1 GLN A 60 -0.903 11.031 7.622 1.00 12.91 O ATOM 943 NE2 GLN A 60 0.452 12.751 7.152 1.00 18.18 N ATOM 0 H GLN A 60 -1.486 13.337 11.961 1.00 10.95 H new ATOM 0 HA GLN A 60 -3.330 14.114 10.108 1.00 9.41 H new ATOM 0 HB2 GLN A 60 -1.862 11.688 10.199 1.00 9.83 H new ATOM 0 HB3 GLN A 60 -2.991 11.946 9.155 1.00 9.83 H new ATOM 0 HG2 GLN A 60 -1.769 13.785 8.271 1.00 10.64 H new ATOM 0 HG3 GLN A 60 -0.647 13.555 9.330 1.00 10.64 H new ATOM 0 HE21 GLN A 60 0.661 13.572 7.302 1.00 18.18 H new ATOM 0 HE22 GLN A 60 0.902 12.290 6.582 1.00 18.18 H new ATOM 953 N LYS A 61 -4.625 11.621 11.132 1.00 10.65 N ATOM 954 CA LYS A 61 -5.832 11.132 11.802 1.00 12.44 C ATOM 955 C LYS A 61 -5.600 10.530 13.182 1.00 11.89 C ATOM 956 O LYS A 61 -4.958 9.499 13.319 1.00 14.54 O ATOM 957 CB LYS A 61 -6.536 10.101 10.928 1.00 14.76 C ATOM 958 CG LYS A 61 -7.929 9.761 11.443 1.00 20.31 C ATOM 959 CD LYS A 61 -8.631 8.784 10.522 1.00 25.85 C ATOM 960 CE LYS A 61 -10.066 8.553 10.973 1.00 28.32 C ATOM 961 NZ LYS A 61 -10.127 8.053 12.379 1.00 31.37 N ATOM 0 H LYS A 61 -4.259 11.071 10.581 1.00 10.65 H new ATOM 0 HA LYS A 61 -6.382 11.920 11.936 1.00 12.44 H new ATOM 0 HB2 LYS A 61 -6.602 10.440 10.021 1.00 14.76 H new ATOM 0 HB3 LYS A 61 -6.001 9.293 10.890 1.00 14.76 H new ATOM 0 HG2 LYS A 61 -7.864 9.380 12.333 1.00 20.31 H new ATOM 0 HG3 LYS A 61 -8.455 10.572 11.519 1.00 20.31 H new ATOM 0 HD2 LYS A 61 -8.624 9.126 9.614 1.00 25.85 H new ATOM 0 HD3 LYS A 61 -8.151 7.941 10.511 1.00 25.85 H new ATOM 0 HE2 LYS A 61 -10.566 9.381 10.901 1.00 28.32 H new ATOM 0 HE3 LYS A 61 -10.492 7.913 10.382 1.00 28.32 H new ATOM 0 HZ1 LYS A 61 -10.950 7.764 12.556 1.00 31.37 H new ATOM 0 HZ2 LYS A 61 -9.549 7.384 12.482 1.00 31.37 H new ATOM 0 HZ3 LYS A 61 -9.918 8.713 12.938 1.00 31.37 H new ATOM 973 N ASN A 62 -6.206 11.149 14.192 1.00 12.82 N ATOM 974 CA ASN A 62 -6.090 10.689 15.571 1.00 12.29 C ATOM 975 C ASN A 62 -6.971 9.464 15.795 1.00 11.48 C ATOM 976 O ASN A 62 -8.159 9.470 15.472 1.00 12.15 O ATOM 977 CB ASN A 62 -6.507 11.809 16.530 1.00 14.55 C ATOM 978 CG ASN A 62 -6.457 11.381 17.989 1.00 16.52 C ATOM 979 OD1 ASN A 62 -7.465 11.425 18.698 1.00 15.42 O ATOM 980 ND2 ASN A 62 -5.284 10.953 18.441 1.00 15.13 N ATOM 0 H ASN A 62 -6.697 11.849 14.096 1.00 12.82 H new ATOM 0 HA ASN A 62 -5.166 10.447 15.743 1.00 12.29 H new ATOM 0 HB2 ASN A 62 -5.924 12.574 16.401 1.00 14.55 H new ATOM 0 HB3 ASN A 62 -7.407 12.098 16.312 1.00 14.55 H new ATOM 0 HD21 ASN A 62 -5.207 10.693 19.257 1.00 15.13 H new ATOM 0 HD22 ASN A 62 -4.602 10.936 17.918 1.00 15.13 H new ATOM 988 N VAL A 63 -6.365 8.405 16.318 1.00 11.14 N ATOM 989 CA VAL A 63 -7.063 7.160 16.611 1.00 12.48 C ATOM 990 C VAL A 63 -6.504 6.596 17.911 1.00 11.57 C ATOM 991 O VAL A 63 -5.381 6.916 18.306 1.00 11.41 O ATOM 992 CB VAL A 63 -6.857 6.089 15.505 1.00 17.08 C ATOM 993 CG1 VAL A 63 -7.555 6.513 14.220 1.00 20.25 C ATOM 994 CG2 VAL A 63 -5.372 5.877 15.240 1.00 17.34 C ATOM 0 H VAL A 63 -5.528 8.389 16.515 1.00 11.14 H new ATOM 0 HA VAL A 63 -8.011 7.359 16.669 1.00 12.48 H new ATOM 0 HB VAL A 63 -7.244 5.254 15.813 1.00 17.08 H new ATOM 0 HG11 VAL A 63 -7.418 5.836 13.539 1.00 20.25 H new ATOM 0 HG12 VAL A 63 -8.505 6.616 14.387 1.00 20.25 H new ATOM 0 HG13 VAL A 63 -7.187 7.357 13.915 1.00 20.25 H new ATOM 0 HG21 VAL A 63 -5.259 5.207 14.548 1.00 17.34 H new ATOM 0 HG22 VAL A 63 -4.973 6.712 14.949 1.00 17.34 H new ATOM 0 HG23 VAL A 63 -4.937 5.578 16.054 1.00 17.34 H new ATOM 1005 N ALA A 64 -7.301 5.778 18.586 1.00 9.58 N ATOM 1006 CA ALA A 64 -6.862 5.158 19.828 1.00 8.77 C ATOM 1007 C ALA A 64 -5.905 4.015 19.508 1.00 8.04 C ATOM 1008 O ALA A 64 -6.122 3.267 18.558 1.00 7.92 O ATOM 1009 CB ALA A 64 -8.059 4.632 20.604 1.00 10.53 C ATOM 0 H ALA A 64 -8.099 5.569 18.342 1.00 9.58 H new ATOM 0 HA ALA A 64 -6.407 5.819 20.373 1.00 8.77 H new ATOM 0 HB1 ALA A 64 -7.755 4.221 21.429 1.00 10.53 H new ATOM 0 HB2 ALA A 64 -8.659 5.366 20.810 1.00 10.53 H new ATOM 0 HB3 ALA A 64 -8.528 3.973 20.069 1.00 10.53 H new ATOM 1016 N CYS A 65 -4.830 3.897 20.285 1.00 5.70 N ATOM 1017 CA CYS A 65 -3.877 2.814 20.085 1.00 7.59 C ATOM 1018 C CYS A 65 -4.499 1.488 20.508 1.00 8.21 C ATOM 1019 O CYS A 65 -5.581 1.457 21.099 1.00 8.36 O ATOM 1020 CB CYS A 65 -2.611 3.060 20.898 1.00 9.62 C ATOM 1021 SG CYS A 65 -1.217 3.565 19.852 1.00 12.53 S ATOM 0 H CYS A 65 -4.637 4.432 20.930 1.00 5.70 H new ATOM 0 HA CYS A 65 -3.647 2.779 19.143 1.00 7.59 H new ATOM 0 HB2 CYS A 65 -2.782 3.747 21.561 1.00 9.62 H new ATOM 0 HB3 CYS A 65 -2.376 2.252 21.381 1.00 9.62 H new ATOM 1027 N LYS A 66 -3.800 0.396 20.218 1.00 9.72 N ATOM 1028 CA LYS A 66 -4.278 -0.936 20.567 1.00 12.40 C ATOM 1029 C LYS A 66 -4.540 -1.066 22.069 1.00 12.45 C ATOM 1030 O LYS A 66 -5.513 -1.705 22.475 1.00 14.04 O ATOM 1031 CB LYS A 66 -3.250 -1.981 20.130 1.00 16.07 C ATOM 1032 CG LYS A 66 -3.158 -2.115 18.613 1.00 21.60 C ATOM 1033 CD LYS A 66 -1.871 -2.801 18.178 1.00 25.45 C ATOM 1034 CE LYS A 66 -1.841 -4.260 18.604 1.00 28.26 C ATOM 1035 NZ LYS A 66 -0.616 -4.938 18.082 1.00 30.65 N ATOM 0 H LYS A 66 -3.040 0.406 19.816 1.00 9.72 H new ATOM 0 HA LYS A 66 -5.118 -1.084 20.105 1.00 12.40 H new ATOM 0 HB2 LYS A 66 -2.379 -1.741 20.483 1.00 16.07 H new ATOM 0 HB3 LYS A 66 -3.484 -2.841 20.514 1.00 16.07 H new ATOM 0 HG2 LYS A 66 -3.919 -2.620 18.287 1.00 21.60 H new ATOM 0 HG3 LYS A 66 -3.207 -1.235 18.208 1.00 21.60 H new ATOM 0 HD2 LYS A 66 -1.783 -2.743 17.214 1.00 25.45 H new ATOM 0 HD3 LYS A 66 -1.111 -2.336 18.561 1.00 25.45 H new ATOM 0 HE2 LYS A 66 -1.861 -4.320 19.572 1.00 28.26 H new ATOM 0 HE3 LYS A 66 -2.633 -4.714 18.275 1.00 28.26 H new ATOM 0 HZ1 LYS A 66 -0.615 -5.790 18.340 1.00 30.65 H new ATOM 0 HZ2 LYS A 66 -0.610 -4.898 17.193 1.00 30.65 H new ATOM 0 HZ3 LYS A 66 0.108 -4.531 18.401 1.00 30.65 H new ATOM 1047 N ASN A 67 -3.700 -0.428 22.885 1.00 12.37 N ATOM 1048 CA ASN A 67 -3.841 -0.498 24.341 1.00 13.03 C ATOM 1049 C ASN A 67 -4.804 0.543 24.944 1.00 12.88 C ATOM 1050 O ASN A 67 -4.932 0.628 26.169 1.00 12.33 O ATOM 1051 CB ASN A 67 -2.456 -0.383 24.999 1.00 14.01 C ATOM 1052 CG ASN A 67 -1.931 1.046 25.050 1.00 16.58 C ATOM 1053 OD1 ASN A 67 -2.319 1.904 24.260 1.00 15.20 O ATOM 1054 ND2 ASN A 67 -1.020 1.295 25.987 1.00 19.75 N ATOM 0 H ASN A 67 -3.040 0.052 22.615 1.00 12.37 H new ATOM 0 HA ASN A 67 -4.243 -1.360 24.530 1.00 13.03 H new ATOM 0 HB2 ASN A 67 -2.503 -0.736 25.901 1.00 14.01 H new ATOM 0 HB3 ASN A 67 -1.826 -0.935 24.511 1.00 14.01 H new ATOM 0 HD21 ASN A 67 -0.679 2.081 26.057 1.00 19.75 H new ATOM 0 HD22 ASN A 67 -0.772 0.670 26.523 1.00 19.75 H new ATOM 1062 N GLY A 68 -5.447 1.352 24.103 1.00 11.04 N ATOM 1063 CA GLY A 68 -6.401 2.329 24.608 1.00 10.48 C ATOM 1064 C GLY A 68 -5.928 3.771 24.679 1.00 8.99 C ATOM 1065 O GLY A 68 -6.763 4.669 24.760 1.00 10.02 O ATOM 0 H GLY A 68 -5.345 1.350 23.249 1.00 11.04 H new ATOM 0 HA2 GLY A 68 -7.192 2.297 24.048 1.00 10.48 H new ATOM 0 HA3 GLY A 68 -6.672 2.055 25.498 1.00 10.48 H new ATOM 1070 N GLN A 69 -4.619 4.012 24.684 1.00 10.25 N ATOM 1071 CA GLN A 69 -4.104 5.389 24.737 1.00 9.29 C ATOM 1072 C GLN A 69 -4.665 6.191 23.557 1.00 9.05 C ATOM 1073 O GLN A 69 -4.962 5.627 22.509 1.00 10.56 O ATOM 1074 CB GLN A 69 -2.576 5.402 24.665 1.00 11.95 C ATOM 1075 CG GLN A 69 -1.873 4.801 25.877 1.00 12.31 C ATOM 1076 CD GLN A 69 -0.351 4.745 25.689 1.00 16.62 C ATOM 1077 OE1 GLN A 69 0.329 3.944 26.327 1.00 18.73 O ATOM 1078 NE2 GLN A 69 0.184 5.604 24.816 1.00 18.84 N ATOM 0 H GLN A 69 -4.014 3.402 24.658 1.00 10.25 H new ATOM 0 HA GLN A 69 -4.382 5.787 25.577 1.00 9.29 H new ATOM 0 HB2 GLN A 69 -2.298 4.917 23.872 1.00 11.95 H new ATOM 0 HB3 GLN A 69 -2.278 6.319 24.556 1.00 11.95 H new ATOM 0 HG2 GLN A 69 -2.082 5.327 26.665 1.00 12.31 H new ATOM 0 HG3 GLN A 69 -2.212 3.906 26.036 1.00 12.31 H new ATOM 0 HE21 GLN A 69 -0.322 6.151 24.386 1.00 18.84 H new ATOM 0 HE22 GLN A 69 1.034 5.610 24.684 1.00 18.84 H new ATOM 1088 N THR A 70 -4.769 7.506 23.711 1.00 7.94 N ATOM 1089 CA THR A 70 -5.337 8.340 22.651 1.00 8.83 C ATOM 1090 C THR A 70 -4.342 9.264 21.943 1.00 8.80 C ATOM 1091 O THR A 70 -4.748 10.237 21.306 1.00 10.95 O ATOM 1092 CB THR A 70 -6.503 9.161 23.218 1.00 10.53 C ATOM 1093 OG1 THR A 70 -6.111 9.838 24.405 1.00 10.51 O ATOM 1094 CG2 THR A 70 -7.682 8.293 23.579 1.00 13.78 C ATOM 0 H THR A 70 -4.520 7.935 24.414 1.00 7.94 H new ATOM 0 HA THR A 70 -5.639 7.723 21.966 1.00 8.83 H new ATOM 0 HB THR A 70 -6.754 9.788 22.521 1.00 10.53 H new ATOM 0 HG1 THR A 70 -6.759 10.283 24.701 1.00 10.51 H new ATOM 0 HG21 THR A 70 -8.396 8.847 23.932 1.00 13.78 H new ATOM 0 HG22 THR A 70 -7.996 7.828 22.788 1.00 13.78 H new ATOM 0 HG23 THR A 70 -7.414 7.645 24.249 1.00 13.78 H new ATOM 1103 N ASN A 71 -3.052 8.949 22.025 1.00 8.82 N ATOM 1104 CA ASN A 71 -2.037 9.762 21.354 1.00 8.01 C ATOM 1105 C ASN A 71 -1.487 9.046 20.123 1.00 8.11 C ATOM 1106 O ASN A 71 -0.309 9.173 19.792 1.00 7.56 O ATOM 1107 CB ASN A 71 -0.885 10.108 22.308 1.00 8.94 C ATOM 1108 CG ASN A 71 -0.147 8.882 22.818 1.00 8.71 C ATOM 1109 OD1 ASN A 71 -0.753 7.869 23.154 1.00 9.87 O ATOM 1110 ND2 ASN A 71 1.182 8.982 22.894 1.00 10.31 N ATOM 0 H ASN A 71 -2.744 8.274 22.460 1.00 8.82 H new ATOM 0 HA ASN A 71 -2.466 10.585 21.072 1.00 8.01 H new ATOM 0 HB2 ASN A 71 -0.258 10.690 21.851 1.00 8.94 H new ATOM 0 HB3 ASN A 71 -1.236 10.606 23.063 1.00 8.94 H new ATOM 0 HD21 ASN A 71 1.647 8.321 23.187 1.00 10.31 H new ATOM 0 HD22 ASN A 71 1.573 9.708 22.650 1.00 10.31 H new ATOM 1118 N CYS A 72 -2.342 8.295 19.441 1.00 6.47 N ATOM 1119 CA CYS A 72 -1.919 7.580 18.247 1.00 6.85 C ATOM 1120 C CYS A 72 -2.564 8.177 17.015 1.00 7.05 C ATOM 1121 O CYS A 72 -3.608 8.819 17.098 1.00 6.65 O ATOM 1122 CB CYS A 72 -2.219 6.099 18.428 1.00 8.69 C ATOM 1123 SG CYS A 72 -1.323 5.582 19.931 1.00 11.44 S ATOM 0 H CYS A 72 -3.169 8.187 19.652 1.00 6.47 H new ATOM 0 HA CYS A 72 -0.962 7.671 18.115 1.00 6.85 H new ATOM 0 HB2 CYS A 72 -3.172 5.947 18.523 1.00 8.69 H new ATOM 0 HB3 CYS A 72 -1.926 5.589 17.657 1.00 8.69 H new ATOM 1129 N TYR A 73 -1.861 8.058 15.892 1.00 7.25 N ATOM 1130 CA TYR A 73 -2.311 8.623 14.628 1.00 8.39 C ATOM 1131 C TYR A 73 -2.082 7.655 13.480 1.00 8.23 C ATOM 1132 O TYR A 73 -1.083 6.941 13.447 1.00 6.08 O ATOM 1133 CB TYR A 73 -1.535 9.911 14.351 1.00 8.35 C ATOM 1134 CG TYR A 73 -1.749 10.983 15.396 1.00 9.27 C ATOM 1135 CD1 TYR A 73 -1.060 10.949 16.599 1.00 9.36 C ATOM 1136 CD2 TYR A 73 -2.657 12.013 15.186 1.00 12.24 C ATOM 1137 CE1 TYR A 73 -1.272 11.909 17.570 1.00 11.32 C ATOM 1138 CE2 TYR A 73 -2.866 12.981 16.148 1.00 13.84 C ATOM 1139 CZ TYR A 73 -2.174 12.924 17.338 1.00 13.17 C ATOM 1140 OH TYR A 73 -2.394 13.881 18.302 1.00 17.75 O ATOM 0 H TYR A 73 -1.108 7.646 15.844 1.00 7.25 H new ATOM 0 HA TYR A 73 -3.262 8.803 14.696 1.00 8.39 H new ATOM 0 HB2 TYR A 73 -0.589 9.705 14.299 1.00 8.35 H new ATOM 0 HB3 TYR A 73 -1.798 10.258 13.484 1.00 8.35 H new ATOM 0 HD1 TYR A 73 -0.445 10.269 16.755 1.00 9.36 H new ATOM 0 HD2 TYR A 73 -3.131 12.051 14.387 1.00 12.24 H new ATOM 0 HE1 TYR A 73 -0.809 11.870 18.375 1.00 11.32 H new ATOM 0 HE2 TYR A 73 -3.472 13.669 15.993 1.00 13.84 H new ATOM 0 HH TYR A 73 -2.964 14.433 18.025 1.00 17.75 H new ATOM 1150 N GLN A 74 -3.008 7.670 12.525 1.00 8.00 N ATOM 1151 CA GLN A 74 -2.947 6.822 11.346 1.00 8.64 C ATOM 1152 C GLN A 74 -2.638 7.698 10.136 1.00 9.33 C ATOM 1153 O GLN A 74 -3.171 8.802 10.004 1.00 10.25 O ATOM 1154 CB GLN A 74 -4.286 6.095 11.155 1.00 11.22 C ATOM 1155 CG GLN A 74 -4.287 5.131 9.963 1.00 15.06 C ATOM 1156 CD GLN A 74 -5.576 4.331 9.862 1.00 20.77 C ATOM 1157 OE1 GLN A 74 -6.053 3.778 10.851 1.00 21.00 O ATOM 1158 NE2 GLN A 74 -6.126 4.238 8.654 1.00 25.72 N ATOM 0 H GLN A 74 -3.699 8.182 12.547 1.00 8.00 H new ATOM 0 HA GLN A 74 -2.252 6.153 11.450 1.00 8.64 H new ATOM 0 HB2 GLN A 74 -4.497 5.601 11.963 1.00 11.22 H new ATOM 0 HB3 GLN A 74 -4.989 6.752 11.032 1.00 11.22 H new ATOM 0 HG2 GLN A 74 -4.157 5.634 9.144 1.00 15.06 H new ATOM 0 HG3 GLN A 74 -3.537 4.521 10.043 1.00 15.06 H new ATOM 0 HE21 GLN A 74 -5.764 4.639 7.985 1.00 25.72 H new ATOM 0 HE22 GLN A 74 -6.843 3.777 8.543 1.00 25.72 H new ATOM 1168 N SER A 75 -1.747 7.216 9.278 1.00 8.02 N ATOM 1169 CA SER A 75 -1.355 7.943 8.078 1.00 8.94 C ATOM 1170 C SER A 75 -2.494 7.946 7.060 1.00 9.58 C ATOM 1171 O SER A 75 -3.188 6.944 6.889 1.00 9.51 O ATOM 1172 CB SER A 75 -0.109 7.296 7.466 1.00 7.67 C ATOM 1173 OG SER A 75 -0.374 5.963 7.076 1.00 7.70 O ATOM 0 H SER A 75 -1.353 6.458 9.375 1.00 8.02 H new ATOM 0 HA SER A 75 -1.154 8.861 8.320 1.00 8.94 H new ATOM 0 HB2 SER A 75 0.183 7.810 6.697 1.00 7.67 H new ATOM 0 HB3 SER A 75 0.617 7.311 8.109 1.00 7.67 H new ATOM 0 HG SER A 75 -0.426 5.921 6.239 1.00 7.70 H new ATOM 1180 N TYR A 76 -2.704 9.097 6.422 1.00 12.73 N ATOM 1181 CA TYR A 76 -3.746 9.252 5.409 1.00 15.16 C ATOM 1182 C TYR A 76 -3.475 8.356 4.205 1.00 14.78 C ATOM 1183 O TYR A 76 -4.398 7.770 3.636 1.00 16.16 O ATOM 1184 CB TYR A 76 -3.813 10.706 4.932 1.00 16.28 C ATOM 1185 CG TYR A 76 -4.410 11.669 5.942 1.00 18.15 C ATOM 1186 CD1 TYR A 76 -5.472 11.290 6.754 1.00 19.88 C ATOM 1187 CD2 TYR A 76 -3.922 12.965 6.063 1.00 19.15 C ATOM 1188 CE1 TYR A 76 -6.029 12.174 7.657 1.00 20.38 C ATOM 1189 CE2 TYR A 76 -4.476 13.851 6.969 1.00 19.72 C ATOM 1190 CZ TYR A 76 -5.529 13.450 7.761 1.00 20.05 C ATOM 1191 OH TYR A 76 -6.093 14.326 8.663 1.00 22.03 O ATOM 0 H TYR A 76 -2.245 9.810 6.565 1.00 12.73 H new ATOM 0 HA TYR A 76 -4.589 8.997 5.815 1.00 15.16 H new ATOM 0 HB2 TYR A 76 -2.917 11.003 4.708 1.00 16.28 H new ATOM 0 HB3 TYR A 76 -4.337 10.744 4.116 1.00 16.28 H new ATOM 0 HD1 TYR A 76 -5.813 10.427 6.688 1.00 19.88 H new ATOM 0 HD2 TYR A 76 -3.213 13.240 5.527 1.00 19.15 H new ATOM 0 HE1 TYR A 76 -6.740 11.907 8.193 1.00 20.38 H new ATOM 0 HE2 TYR A 76 -4.139 14.714 7.043 1.00 19.72 H new ATOM 0 HH TYR A 76 -5.694 15.064 8.624 1.00 22.03 H new ATOM 1202 N SER A 77 -2.205 8.255 3.823 1.00 15.41 N ATOM 1203 CA SER A 77 -1.807 7.448 2.676 1.00 16.65 C ATOM 1204 C SER A 77 -1.061 6.187 3.095 1.00 15.44 C ATOM 1205 O SER A 77 -0.598 6.076 4.229 1.00 12.46 O ATOM 1206 CB SER A 77 -0.903 8.276 1.763 1.00 19.98 C ATOM 1207 OG SER A 77 -1.582 9.432 1.300 1.00 21.54 O ATOM 0 H SER A 77 -1.553 8.651 4.220 1.00 15.41 H new ATOM 0 HA SER A 77 -2.615 7.180 2.211 1.00 16.65 H new ATOM 0 HB2 SER A 77 -0.102 8.537 2.244 1.00 19.98 H new ATOM 0 HB3 SER A 77 -0.618 7.738 1.008 1.00 19.98 H new ATOM 0 HG SER A 77 -1.072 9.876 0.802 1.00 21.54 H new ATOM 1213 N THR A 78 -0.954 5.237 2.169 1.00 14.35 N ATOM 1214 CA THR A 78 -0.236 3.997 2.432 1.00 14.09 C ATOM 1215 C THR A 78 1.259 4.264 2.279 1.00 10.90 C ATOM 1216 O THR A 78 1.671 5.191 1.583 1.00 10.89 O ATOM 1217 CB THR A 78 -0.664 2.885 1.462 1.00 16.39 C ATOM 1218 OG1 THR A 78 -0.601 3.347 0.127 1.00 19.68 O ATOM 1219 CG2 THR A 78 -2.071 2.410 1.710 1.00 18.17 C ATOM 0 H THR A 78 -1.292 5.293 1.380 1.00 14.35 H new ATOM 0 HA THR A 78 -0.441 3.699 3.332 1.00 14.09 H new ATOM 0 HB THR A 78 -0.051 2.148 1.610 1.00 16.39 H new ATOM 0 HG1 THR A 78 -0.835 2.731 -0.394 1.00 19.68 H new ATOM 0 HG21 THR A 78 -2.293 1.711 1.075 1.00 18.17 H new ATOM 0 HG22 THR A 78 -2.141 2.061 2.612 1.00 18.17 H new ATOM 0 HG23 THR A 78 -2.687 3.152 1.603 1.00 18.17 H new ATOM 1228 N MET A 79 2.059 3.450 2.953 1.00 9.82 N ATOM 1229 CA MET A 79 3.510 3.573 2.925 1.00 8.64 C ATOM 1230 C MET A 79 4.138 2.207 2.700 1.00 7.87 C ATOM 1231 O MET A 79 3.528 1.175 2.975 1.00 7.94 O ATOM 1232 CB MET A 79 4.020 4.143 4.254 1.00 8.99 C ATOM 1233 CG MET A 79 3.515 5.548 4.541 1.00 10.39 C ATOM 1234 SD MET A 79 4.157 6.191 6.090 1.00 11.49 S ATOM 1235 CE MET A 79 3.860 7.933 5.867 1.00 13.34 C ATOM 0 H MET A 79 1.773 2.805 3.444 1.00 9.82 H new ATOM 0 HA MET A 79 3.755 4.172 2.202 1.00 8.64 H new ATOM 0 HB2 MET A 79 3.748 3.555 4.976 1.00 8.99 H new ATOM 0 HB3 MET A 79 4.990 4.151 4.244 1.00 8.99 H new ATOM 0 HG2 MET A 79 3.773 6.138 3.815 1.00 10.39 H new ATOM 0 HG3 MET A 79 2.545 5.542 4.571 1.00 10.39 H new ATOM 0 HE1 MET A 79 4.167 8.417 6.650 1.00 13.34 H new ATOM 0 HE2 MET A 79 4.341 8.246 5.085 1.00 13.34 H new ATOM 0 HE3 MET A 79 2.910 8.086 5.744 1.00 13.34 H new ATOM 1246 N SER A 80 5.357 2.218 2.177 1.00 7.20 N ATOM 1247 CA SER A 80 6.099 0.999 1.917 1.00 6.27 C ATOM 1248 C SER A 80 6.682 0.527 3.246 1.00 6.19 C ATOM 1249 O SER A 80 7.416 1.265 3.891 1.00 8.92 O ATOM 1250 CB SER A 80 7.228 1.287 0.932 1.00 8.32 C ATOM 1251 OG SER A 80 8.014 0.130 0.729 1.00 8.07 O ATOM 0 H SER A 80 5.777 2.937 1.963 1.00 7.20 H new ATOM 0 HA SER A 80 5.522 0.319 1.535 1.00 6.27 H new ATOM 0 HB2 SER A 80 6.859 1.586 0.086 1.00 8.32 H new ATOM 0 HB3 SER A 80 7.783 2.007 1.270 1.00 8.32 H new ATOM 0 HG SER A 80 8.691 0.328 0.273 1.00 8.07 H new ATOM 1258 N ILE A 81 6.343 -0.691 3.657 1.00 5.09 N ATOM 1259 CA ILE A 81 6.836 -1.231 4.918 1.00 6.82 C ATOM 1260 C ILE A 81 7.313 -2.667 4.760 1.00 5.59 C ATOM 1261 O ILE A 81 7.003 -3.340 3.777 1.00 6.79 O ATOM 1262 CB ILE A 81 5.740 -1.223 6.019 1.00 9.03 C ATOM 1263 CG1 ILE A 81 4.592 -2.158 5.637 1.00 11.53 C ATOM 1264 CG2 ILE A 81 5.207 0.190 6.225 1.00 7.02 C ATOM 1265 CD1 ILE A 81 3.660 -2.427 6.781 1.00 16.50 C ATOM 0 H ILE A 81 5.827 -1.221 3.219 1.00 5.09 H new ATOM 0 HA ILE A 81 7.573 -0.657 5.181 1.00 6.82 H new ATOM 0 HB ILE A 81 6.137 -1.535 6.847 1.00 9.03 H new ATOM 0 HG12 ILE A 81 4.093 -1.768 4.903 1.00 11.53 H new ATOM 0 HG13 ILE A 81 4.957 -2.998 5.317 1.00 11.53 H new ATOM 0 HG21 ILE A 81 4.524 0.181 6.914 1.00 7.02 H new ATOM 0 HG22 ILE A 81 5.933 0.773 6.497 1.00 7.02 H new ATOM 0 HG23 ILE A 81 4.824 0.516 5.395 1.00 7.02 H new ATOM 0 HD11 ILE A 81 2.952 -3.023 6.489 1.00 16.50 H new ATOM 0 HD12 ILE A 81 4.151 -2.841 7.508 1.00 16.50 H new ATOM 0 HD13 ILE A 81 3.273 -1.592 7.087 1.00 16.50 H new ATOM 1278 N THR A 82 8.113 -3.108 5.720 1.00 6.87 N ATOM 1279 CA THR A 82 8.614 -4.469 5.730 1.00 6.43 C ATOM 1280 C THR A 82 8.397 -5.025 7.132 1.00 7.91 C ATOM 1281 O THR A 82 8.847 -4.439 8.120 1.00 5.60 O ATOM 1282 CB THR A 82 10.106 -4.525 5.392 1.00 5.68 C ATOM 1283 OG1 THR A 82 10.348 -3.980 4.105 1.00 6.77 O ATOM 1284 CG2 THR A 82 10.630 -5.952 5.392 1.00 6.12 C ATOM 0 H THR A 82 8.379 -2.627 6.381 1.00 6.87 H new ATOM 0 HA THR A 82 8.143 -4.989 5.060 1.00 6.43 H new ATOM 0 HB THR A 82 10.563 -4.010 6.075 1.00 5.68 H new ATOM 0 HG1 THR A 82 9.774 -4.271 3.565 1.00 6.77 H new ATOM 0 HG21 THR A 82 11.575 -5.950 5.175 1.00 6.12 H new ATOM 0 HG22 THR A 82 10.501 -6.344 6.270 1.00 6.12 H new ATOM 0 HG23 THR A 82 10.148 -6.474 4.731 1.00 6.12 H new ATOM 1293 N ASP A 83 7.667 -6.130 7.211 1.00 7.02 N ATOM 1294 CA ASP A 83 7.390 -6.791 8.475 1.00 9.89 C ATOM 1295 C ASP A 83 8.374 -7.932 8.675 1.00 9.14 C ATOM 1296 O ASP A 83 8.609 -8.727 7.769 1.00 8.28 O ATOM 1297 CB ASP A 83 5.964 -7.345 8.499 1.00 14.90 C ATOM 1298 CG ASP A 83 4.984 -6.399 9.161 1.00 19.04 C ATOM 1299 OD1 ASP A 83 4.328 -6.821 10.138 1.00 21.67 O ATOM 1300 OD2 ASP A 83 4.871 -5.238 8.714 1.00 21.84 O ATOM 0 H ASP A 83 7.317 -6.519 6.528 1.00 7.02 H new ATOM 0 HA ASP A 83 7.483 -6.141 9.189 1.00 9.89 H new ATOM 0 HB2 ASP A 83 5.674 -7.522 7.591 1.00 14.90 H new ATOM 0 HB3 ASP A 83 5.958 -8.193 8.969 1.00 14.90 H new ATOM 1306 N CYS A 84 8.964 -7.973 9.863 1.00 6.69 N ATOM 1307 CA CYS A 84 9.918 -9.005 10.245 1.00 7.94 C ATOM 1308 C CYS A 84 9.297 -9.806 11.377 1.00 9.39 C ATOM 1309 O CYS A 84 8.900 -9.244 12.398 1.00 11.13 O ATOM 1310 CB CYS A 84 11.229 -8.375 10.713 1.00 6.02 C ATOM 1311 SG CYS A 84 12.009 -7.296 9.474 1.00 6.35 S ATOM 0 H CYS A 84 8.819 -7.392 10.480 1.00 6.69 H new ATOM 0 HA CYS A 84 10.116 -9.576 9.486 1.00 7.94 H new ATOM 0 HB2 CYS A 84 11.061 -7.860 11.518 1.00 6.02 H new ATOM 0 HB3 CYS A 84 11.850 -9.081 10.952 1.00 6.02 H new ATOM 1317 N ARG A 85 9.237 -11.122 11.200 1.00 9.79 N ATOM 1318 CA ARG A 85 8.639 -11.996 12.196 1.00 11.76 C ATOM 1319 C ARG A 85 9.545 -13.200 12.414 1.00 8.77 C ATOM 1320 O ARG A 85 9.939 -13.875 11.472 1.00 8.62 O ATOM 1321 CB ARG A 85 7.257 -12.432 11.715 1.00 17.28 C ATOM 1322 CG ARG A 85 6.333 -12.876 12.837 1.00 26.04 C ATOM 1323 CD ARG A 85 4.894 -12.927 12.345 1.00 30.56 C ATOM 1324 NE ARG A 85 4.497 -11.645 11.766 1.00 35.87 N ATOM 1325 CZ ARG A 85 3.735 -10.741 12.377 1.00 38.11 C ATOM 1326 NH1 ARG A 85 3.265 -10.966 13.598 1.00 39.01 N ATOM 1327 NH2 ARG A 85 3.498 -9.578 11.786 1.00 39.79 N ATOM 0 H ARG A 85 9.539 -11.528 10.505 1.00 9.79 H new ATOM 0 HA ARG A 85 8.539 -11.528 13.040 1.00 11.76 H new ATOM 0 HB2 ARG A 85 6.843 -11.697 11.237 1.00 17.28 H new ATOM 0 HB3 ARG A 85 7.358 -13.160 11.082 1.00 17.28 H new ATOM 0 HG2 ARG A 85 6.602 -13.750 13.160 1.00 26.04 H new ATOM 0 HG3 ARG A 85 6.404 -12.263 13.585 1.00 26.04 H new ATOM 0 HD2 ARG A 85 4.799 -13.629 11.682 1.00 30.56 H new ATOM 0 HD3 ARG A 85 4.304 -13.151 13.082 1.00 30.56 H new ATOM 0 HE ARG A 85 4.776 -11.462 10.973 1.00 35.87 H new ATOM 0 HH11 ARG A 85 3.452 -11.702 14.002 1.00 39.01 H new ATOM 0 HH12 ARG A 85 2.773 -10.376 13.985 1.00 39.01 H new ATOM 0 HH21 ARG A 85 3.836 -9.412 11.013 1.00 39.79 H new ATOM 0 HH22 ARG A 85 3.006 -8.990 12.176 1.00 39.79 H new ATOM 1342 N GLU A 86 9.861 -13.456 13.676 1.00 9.63 N ATOM 1343 CA GLU A 86 10.742 -14.543 14.073 1.00 9.59 C ATOM 1344 C GLU A 86 10.245 -15.905 13.572 1.00 10.29 C ATOM 1345 O GLU A 86 9.058 -16.213 13.675 1.00 10.22 O ATOM 1346 CB GLU A 86 10.843 -14.531 15.597 1.00 11.42 C ATOM 1347 CG GLU A 86 11.843 -15.501 16.144 1.00 12.66 C ATOM 1348 CD GLU A 86 12.045 -15.333 17.640 1.00 12.44 C ATOM 1349 OE1 GLU A 86 11.082 -14.958 18.340 1.00 13.30 O ATOM 1350 OE2 GLU A 86 13.170 -15.578 18.111 1.00 13.25 O ATOM 0 H GLU A 86 9.564 -12.994 14.338 1.00 9.63 H new ATOM 0 HA GLU A 86 11.614 -14.409 13.671 1.00 9.59 H new ATOM 0 HB2 GLU A 86 11.079 -13.637 15.890 1.00 11.42 H new ATOM 0 HB3 GLU A 86 9.971 -14.732 15.972 1.00 11.42 H new ATOM 0 HG2 GLU A 86 11.548 -16.406 15.959 1.00 12.66 H new ATOM 0 HG3 GLU A 86 12.691 -15.380 15.689 1.00 12.66 H new ATOM 1358 N THR A 87 11.151 -16.693 12.992 1.00 10.00 N ATOM 1359 CA THR A 87 10.800 -18.019 12.479 1.00 11.47 C ATOM 1360 C THR A 87 10.995 -19.084 13.551 1.00 11.06 C ATOM 1361 O THR A 87 11.513 -18.807 14.633 1.00 11.99 O ATOM 1362 CB THR A 87 11.661 -18.388 11.261 1.00 11.82 C ATOM 1363 OG1 THR A 87 13.015 -18.527 11.646 1.00 14.23 O ATOM 1364 CG2 THR A 87 11.614 -17.354 10.157 1.00 14.24 C ATOM 0 H THR A 87 11.977 -16.478 12.885 1.00 10.00 H new ATOM 0 HA THR A 87 9.867 -17.985 12.216 1.00 11.47 H new ATOM 0 HB THR A 87 11.292 -19.219 10.923 1.00 11.82 H new ATOM 0 HG1 THR A 87 13.495 -18.605 10.961 1.00 14.23 H new ATOM 0 HG21 THR A 87 12.174 -17.642 9.420 1.00 14.24 H new ATOM 0 HG22 THR A 87 10.700 -17.252 9.848 1.00 14.24 H new ATOM 0 HG23 THR A 87 11.937 -16.504 10.495 1.00 14.24 H new ATOM 1373 N GLY A 88 10.609 -20.315 13.219 1.00 10.88 N ATOM 1374 CA GLY A 88 10.739 -21.418 14.151 1.00 11.00 C ATOM 1375 C GLY A 88 12.175 -21.849 14.387 1.00 11.18 C ATOM 1376 O GLY A 88 12.469 -22.470 15.413 1.00 13.17 O ATOM 0 H GLY A 88 10.270 -20.527 12.458 1.00 10.88 H new ATOM 0 HA2 GLY A 88 10.342 -21.163 14.999 1.00 11.00 H new ATOM 0 HA3 GLY A 88 10.233 -22.175 13.817 1.00 11.00 H new ATOM 1381 N SER A 89 13.073 -21.520 13.460 1.00 10.19 N ATOM 1382 CA SER A 89 14.479 -21.898 13.586 1.00 12.61 C ATOM 1383 C SER A 89 15.315 -20.847 14.311 1.00 11.13 C ATOM 1384 O SER A 89 16.524 -21.013 14.467 1.00 12.25 O ATOM 1385 CB SER A 89 15.081 -22.143 12.201 1.00 14.07 C ATOM 1386 OG SER A 89 14.538 -23.316 11.626 1.00 16.14 O ATOM 0 H SER A 89 12.887 -21.076 12.747 1.00 10.19 H new ATOM 0 HA SER A 89 14.500 -22.709 14.118 1.00 12.61 H new ATOM 0 HB2 SER A 89 14.904 -21.382 11.626 1.00 14.07 H new ATOM 0 HB3 SER A 89 16.045 -22.227 12.271 1.00 14.07 H new ATOM 0 HG SER A 89 14.875 -23.438 10.866 1.00 16.14 H new ATOM 1393 N SER A 90 14.674 -19.771 14.756 1.00 10.98 N ATOM 1394 CA SER A 90 15.377 -18.709 15.458 1.00 11.50 C ATOM 1395 C SER A 90 15.790 -19.173 16.855 1.00 9.92 C ATOM 1396 O SER A 90 14.982 -19.737 17.592 1.00 11.74 O ATOM 1397 CB SER A 90 14.474 -17.490 15.580 1.00 11.30 C ATOM 1398 OG SER A 90 15.149 -16.450 16.268 1.00 11.98 O ATOM 0 H SER A 90 13.830 -19.638 14.660 1.00 10.98 H new ATOM 0 HA SER A 90 16.173 -18.479 14.954 1.00 11.50 H new ATOM 0 HB2 SER A 90 14.209 -17.185 14.698 1.00 11.30 H new ATOM 0 HB3 SER A 90 13.661 -17.727 16.054 1.00 11.30 H new ATOM 0 HG SER A 90 14.633 -16.110 16.837 1.00 11.98 H new ATOM 1405 N LYS A 91 17.062 -18.974 17.187 1.00 11.84 N ATOM 1406 CA LYS A 91 17.588 -19.349 18.493 1.00 13.40 C ATOM 1407 C LYS A 91 18.739 -18.408 18.821 1.00 11.55 C ATOM 1408 O LYS A 91 19.769 -18.420 18.149 1.00 12.18 O ATOM 1409 CB LYS A 91 18.086 -20.800 18.488 1.00 18.56 C ATOM 1410 CG LYS A 91 18.582 -21.256 19.857 1.00 23.32 C ATOM 1411 CD LYS A 91 19.034 -22.711 19.836 1.00 28.36 C ATOM 1412 CE LYS A 91 19.555 -23.134 21.204 1.00 29.75 C ATOM 1413 NZ LYS A 91 19.908 -24.583 21.231 1.00 32.84 N ATOM 0 H LYS A 91 17.643 -18.618 16.662 1.00 11.84 H new ATOM 0 HA LYS A 91 16.887 -19.280 19.160 1.00 13.40 H new ATOM 0 HB2 LYS A 91 17.368 -21.384 18.197 1.00 18.56 H new ATOM 0 HB3 LYS A 91 18.804 -20.890 17.842 1.00 18.56 H new ATOM 0 HG2 LYS A 91 19.319 -20.692 20.139 1.00 23.32 H new ATOM 0 HG3 LYS A 91 17.874 -21.146 20.511 1.00 23.32 H new ATOM 0 HD2 LYS A 91 18.293 -23.281 19.577 1.00 28.36 H new ATOM 0 HD3 LYS A 91 19.729 -22.829 19.170 1.00 28.36 H new ATOM 0 HE2 LYS A 91 20.336 -22.605 21.432 1.00 29.75 H new ATOM 0 HE3 LYS A 91 18.882 -22.951 21.878 1.00 29.75 H new ATOM 0 HZ1 LYS A 91 20.208 -24.801 22.040 1.00 32.84 H new ATOM 0 HZ2 LYS A 91 19.186 -25.068 21.043 1.00 32.84 H new ATOM 0 HZ3 LYS A 91 20.541 -24.746 20.626 1.00 32.84 H new ATOM 1425 N TYR A 92 18.557 -17.605 19.864 1.00 9.32 N ATOM 1426 CA TYR A 92 19.559 -16.632 20.301 1.00 10.56 C ATOM 1427 C TYR A 92 20.928 -17.317 20.457 1.00 11.61 C ATOM 1428 O TYR A 92 21.009 -18.427 20.986 1.00 12.38 O ATOM 1429 CB TYR A 92 19.111 -16.004 21.631 1.00 9.66 C ATOM 1430 CG TYR A 92 20.028 -14.896 22.100 1.00 9.46 C ATOM 1431 CD1 TYR A 92 19.845 -13.580 21.678 1.00 7.28 C ATOM 1432 CD2 TYR A 92 21.092 -15.173 22.941 1.00 9.69 C ATOM 1433 CE1 TYR A 92 20.709 -12.583 22.087 1.00 9.12 C ATOM 1434 CE2 TYR A 92 21.944 -14.186 23.354 1.00 9.46 C ATOM 1435 CZ TYR A 92 21.755 -12.895 22.927 1.00 10.36 C ATOM 1436 OH TYR A 92 22.632 -11.926 23.344 1.00 12.33 O ATOM 0 H TYR A 92 17.843 -17.608 20.344 1.00 9.32 H new ATOM 0 HA TYR A 92 19.645 -15.932 19.635 1.00 10.56 H new ATOM 0 HB2 TYR A 92 18.212 -15.653 21.531 1.00 9.66 H new ATOM 0 HB3 TYR A 92 19.071 -16.694 22.312 1.00 9.66 H new ATOM 0 HD1 TYR A 92 19.134 -13.371 21.116 1.00 7.28 H new ATOM 0 HD2 TYR A 92 21.230 -16.046 23.230 1.00 9.69 H new ATOM 0 HE1 TYR A 92 20.585 -11.708 21.797 1.00 9.12 H new ATOM 0 HE2 TYR A 92 22.651 -14.389 23.923 1.00 9.46 H new ATOM 0 HH TYR A 92 22.370 -11.175 23.073 1.00 12.33 H new ATOM 1447 N PRO A 93 22.026 -16.644 20.048 1.00 12.36 N ATOM 1448 CA PRO A 93 22.131 -15.303 19.452 1.00 13.51 C ATOM 1449 C PRO A 93 21.898 -15.237 17.943 1.00 13.32 C ATOM 1450 O PRO A 93 22.022 -14.172 17.338 1.00 13.94 O ATOM 1451 CB PRO A 93 23.558 -14.893 19.794 1.00 15.27 C ATOM 1452 CG PRO A 93 24.317 -16.170 19.791 1.00 15.41 C ATOM 1453 CD PRO A 93 23.356 -17.268 20.180 1.00 14.62 C ATOM 0 HA PRO A 93 21.438 -14.720 19.800 1.00 13.51 H new ATOM 0 HB2 PRO A 93 23.913 -14.269 19.142 1.00 15.27 H new ATOM 0 HB3 PRO A 93 23.603 -14.456 20.659 1.00 15.27 H new ATOM 0 HG2 PRO A 93 24.694 -16.341 18.914 1.00 15.41 H new ATOM 0 HG3 PRO A 93 25.058 -16.128 20.415 1.00 15.41 H new ATOM 0 HD2 PRO A 93 23.445 -18.040 19.599 1.00 14.62 H new ATOM 0 HD3 PRO A 93 23.516 -17.575 21.086 1.00 14.62 H new ATOM 1461 N ASN A 94 21.590 -16.378 17.337 1.00 12.67 N ATOM 1462 CA ASN A 94 21.341 -16.440 15.903 1.00 14.77 C ATOM 1463 C ASN A 94 19.845 -16.310 15.644 1.00 11.30 C ATOM 1464 O ASN A 94 19.165 -17.286 15.326 1.00 12.62 O ATOM 1465 CB ASN A 94 21.870 -17.761 15.342 1.00 17.22 C ATOM 1466 CG ASN A 94 23.362 -17.921 15.559 1.00 21.86 C ATOM 1467 OD1 ASN A 94 24.158 -17.068 15.165 1.00 23.49 O ATOM 1468 ND2 ASN A 94 23.744 -18.992 16.236 1.00 24.21 N ATOM 0 H ASN A 94 21.520 -17.133 17.743 1.00 12.67 H new ATOM 0 HA ASN A 94 21.802 -15.711 15.459 1.00 14.77 H new ATOM 0 HB2 ASN A 94 21.403 -18.499 15.763 1.00 17.22 H new ATOM 0 HB3 ASN A 94 21.676 -17.808 14.393 1.00 17.22 H new ATOM 0 HD21 ASN A 94 24.576 -19.112 16.416 1.00 24.21 H new ATOM 0 HD22 ASN A 94 23.160 -19.567 16.496 1.00 24.21 H new ATOM 1476 N CYS A 95 19.344 -15.088 15.789 1.00 10.20 N ATOM 1477 CA CYS A 95 17.930 -14.789 15.573 1.00 7.87 C ATOM 1478 C CYS A 95 17.634 -14.855 14.072 1.00 8.26 C ATOM 1479 O CYS A 95 18.429 -14.377 13.257 1.00 9.82 O ATOM 1480 CB CYS A 95 17.611 -13.389 16.102 1.00 7.73 C ATOM 1481 SG CYS A 95 18.112 -13.100 17.832 1.00 7.74 S ATOM 0 H CYS A 95 19.815 -14.405 16.016 1.00 10.20 H new ATOM 0 HA CYS A 95 17.382 -15.435 16.045 1.00 7.87 H new ATOM 0 HB2 CYS A 95 18.050 -12.734 15.537 1.00 7.73 H new ATOM 0 HB3 CYS A 95 16.656 -13.236 16.024 1.00 7.73 H new ATOM 1487 N ALA A 96 16.483 -15.421 13.722 1.00 7.86 N ATOM 1488 CA ALA A 96 16.076 -15.571 12.325 1.00 8.53 C ATOM 1489 C ALA A 96 14.670 -15.010 12.126 1.00 7.65 C ATOM 1490 O ALA A 96 13.796 -15.176 12.979 1.00 8.29 O ATOM 1491 CB ALA A 96 16.122 -17.031 11.936 1.00 10.43 C ATOM 0 H ALA A 96 15.914 -15.730 14.288 1.00 7.86 H new ATOM 0 HA ALA A 96 16.688 -15.076 11.758 1.00 8.53 H new ATOM 0 HB1 ALA A 96 15.852 -17.128 11.009 1.00 10.43 H new ATOM 0 HB2 ALA A 96 17.025 -17.367 12.046 1.00 10.43 H new ATOM 0 HB3 ALA A 96 15.518 -17.536 12.503 1.00 10.43 H new ATOM 1498 N TYR A 97 14.453 -14.389 10.969 1.00 6.94 N ATOM 1499 CA TYR A 97 13.181 -13.744 10.657 1.00 7.94 C ATOM 1500 C TYR A 97 12.699 -13.977 9.236 1.00 6.61 C ATOM 1501 O TYR A 97 13.483 -14.214 8.321 1.00 8.69 O ATOM 1502 CB TYR A 97 13.332 -12.227 10.820 1.00 4.77 C ATOM 1503 CG TYR A 97 13.709 -11.817 12.218 1.00 6.06 C ATOM 1504 CD1 TYR A 97 12.736 -11.482 13.145 1.00 6.91 C ATOM 1505 CD2 TYR A 97 15.035 -11.799 12.612 1.00 4.56 C ATOM 1506 CE1 TYR A 97 13.076 -11.144 14.429 1.00 6.18 C ATOM 1507 CE2 TYR A 97 15.383 -11.455 13.889 1.00 5.21 C ATOM 1508 CZ TYR A 97 14.402 -11.130 14.798 1.00 7.02 C ATOM 1509 OH TYR A 97 14.756 -10.799 16.081 1.00 8.23 O ATOM 0 H TYR A 97 15.040 -14.330 10.343 1.00 6.94 H new ATOM 0 HA TYR A 97 12.535 -14.134 11.267 1.00 7.94 H new ATOM 0 HB2 TYR A 97 14.007 -11.907 10.202 1.00 4.77 H new ATOM 0 HB3 TYR A 97 12.498 -11.797 10.577 1.00 4.77 H new ATOM 0 HD1 TYR A 97 11.841 -11.486 12.893 1.00 6.91 H new ATOM 0 HD2 TYR A 97 15.699 -12.024 12.000 1.00 4.56 H new ATOM 0 HE1 TYR A 97 12.416 -10.926 15.046 1.00 6.18 H new ATOM 0 HE2 TYR A 97 16.278 -11.441 14.142 1.00 5.21 H new ATOM 0 HH TYR A 97 14.063 -10.669 16.538 1.00 8.23 H new ATOM 1520 N LYS A 98 11.386 -13.869 9.075 1.00 6.90 N ATOM 1521 CA LYS A 98 10.737 -13.968 7.782 1.00 9.19 C ATOM 1522 C LYS A 98 10.457 -12.527 7.348 1.00 6.77 C ATOM 1523 O LYS A 98 9.928 -11.731 8.125 1.00 7.40 O ATOM 1524 CB LYS A 98 9.425 -14.742 7.880 1.00 12.44 C ATOM 1525 CG LYS A 98 8.732 -14.866 6.532 1.00 19.51 C ATOM 1526 CD LYS A 98 7.466 -15.689 6.622 1.00 24.97 C ATOM 1527 CE LYS A 98 6.918 -15.966 5.232 1.00 27.48 C ATOM 1528 NZ LYS A 98 6.653 -14.696 4.499 1.00 31.37 N ATOM 0 H LYS A 98 10.841 -13.734 9.726 1.00 6.90 H new ATOM 0 HA LYS A 98 11.298 -14.442 7.148 1.00 9.19 H new ATOM 0 HB2 LYS A 98 9.599 -15.628 8.235 1.00 12.44 H new ATOM 0 HB3 LYS A 98 8.834 -14.296 8.506 1.00 12.44 H new ATOM 0 HG2 LYS A 98 8.519 -13.981 6.196 1.00 19.51 H new ATOM 0 HG3 LYS A 98 9.338 -15.274 5.894 1.00 19.51 H new ATOM 0 HD2 LYS A 98 7.648 -16.526 7.077 1.00 24.97 H new ATOM 0 HD3 LYS A 98 6.803 -15.217 7.150 1.00 24.97 H new ATOM 0 HE2 LYS A 98 7.551 -16.505 4.733 1.00 27.48 H new ATOM 0 HE3 LYS A 98 6.099 -16.481 5.300 1.00 27.48 H new ATOM 0 HZ1 LYS A 98 6.140 -14.863 3.791 1.00 31.37 H new ATOM 0 HZ2 LYS A 98 6.236 -14.123 5.038 1.00 31.37 H new ATOM 0 HZ3 LYS A 98 7.424 -14.342 4.230 1.00 31.37 H new ATOM 1540 N THR A 99 10.820 -12.198 6.112 1.00 5.61 N ATOM 1541 CA THR A 99 10.621 -10.851 5.571 1.00 6.14 C ATOM 1542 C THR A 99 9.355 -10.763 4.713 1.00 7.35 C ATOM 1543 O THR A 99 9.187 -11.528 3.764 1.00 7.64 O ATOM 1544 CB THR A 99 11.829 -10.458 4.710 1.00 7.39 C ATOM 1545 OG1 THR A 99 13.005 -10.413 5.504 1.00 8.13 O ATOM 1546 CG2 THR A 99 11.676 -9.089 4.080 1.00 7.08 C ATOM 0 H THR A 99 11.188 -12.747 5.562 1.00 5.61 H new ATOM 0 HA THR A 99 10.524 -10.245 6.323 1.00 6.14 H new ATOM 0 HB THR A 99 11.888 -11.130 4.013 1.00 7.39 H new ATOM 0 HG1 THR A 99 12.919 -9.827 6.100 1.00 8.13 H new ATOM 0 HG21 THR A 99 12.462 -8.888 3.548 1.00 7.08 H new ATOM 0 HG22 THR A 99 10.890 -9.080 3.511 1.00 7.08 H new ATOM 0 HG23 THR A 99 11.578 -8.421 4.777 1.00 7.08 H new ATOM 1555 N THR A 100 8.478 -9.819 5.044 1.00 6.79 N ATOM 1556 CA THR A 100 7.245 -9.607 4.286 1.00 8.27 C ATOM 1557 C THR A 100 7.169 -8.137 3.880 1.00 7.80 C ATOM 1558 O THR A 100 7.181 -7.258 4.729 1.00 9.35 O ATOM 1559 CB THR A 100 6.012 -9.962 5.131 1.00 12.64 C ATOM 1560 OG1 THR A 100 6.050 -11.323 5.520 1.00 15.60 O ATOM 1561 CG2 THR A 100 4.717 -9.747 4.385 1.00 17.99 C ATOM 0 H THR A 100 8.579 -9.285 5.711 1.00 6.79 H new ATOM 0 HA THR A 100 7.254 -10.180 3.503 1.00 8.27 H new ATOM 0 HB THR A 100 6.040 -9.373 5.902 1.00 12.64 H new ATOM 0 HG1 THR A 100 6.369 -11.384 6.295 1.00 15.60 H new ATOM 0 HG21 THR A 100 3.970 -9.984 4.957 1.00 17.99 H new ATOM 0 HG22 THR A 100 4.643 -8.815 4.127 1.00 17.99 H new ATOM 0 HG23 THR A 100 4.704 -10.304 3.591 1.00 17.99 H new ATOM 1570 N GLN A 101 7.098 -7.880 2.578 1.00 9.17 N ATOM 1571 CA GLN A 101 7.018 -6.520 2.040 1.00 9.57 C ATOM 1572 C GLN A 101 5.564 -6.199 1.678 1.00 10.36 C ATOM 1573 O GLN A 101 4.872 -7.036 1.088 1.00 11.32 O ATOM 1574 CB GLN A 101 7.915 -6.434 0.802 1.00 10.46 C ATOM 1575 CG GLN A 101 7.840 -5.116 0.043 1.00 12.27 C ATOM 1576 CD GLN A 101 8.370 -3.946 0.847 1.00 10.40 C ATOM 1577 OE1 GLN A 101 9.361 -4.068 1.564 1.00 10.68 O ATOM 1578 NE2 GLN A 101 7.717 -2.799 0.719 1.00 11.84 N ATOM 0 H GLN A 101 7.095 -8.493 1.975 1.00 9.17 H new ATOM 0 HA GLN A 101 7.318 -5.875 2.699 1.00 9.57 H new ATOM 0 HB2 GLN A 101 8.834 -6.583 1.074 1.00 10.46 H new ATOM 0 HB3 GLN A 101 7.678 -7.154 0.197 1.00 10.46 H new ATOM 0 HG2 GLN A 101 8.346 -5.193 -0.781 1.00 12.27 H new ATOM 0 HG3 GLN A 101 6.918 -4.942 -0.205 1.00 12.27 H new ATOM 0 HE21 GLN A 101 7.027 -2.752 0.208 1.00 11.84 H new ATOM 0 HE22 GLN A 101 7.983 -2.102 1.147 1.00 11.84 H new ATOM 1588 N ALA A 102 5.103 -5.001 2.041 1.00 9.02 N ATOM 1589 CA ALA A 102 3.728 -4.588 1.755 1.00 11.46 C ATOM 1590 C ALA A 102 3.565 -3.067 1.779 1.00 10.64 C ATOM 1591 O ALA A 102 4.483 -2.340 2.148 1.00 10.32 O ATOM 1592 CB ALA A 102 2.781 -5.211 2.777 1.00 12.99 C ATOM 0 H ALA A 102 5.572 -4.411 2.455 1.00 9.02 H new ATOM 0 HA ALA A 102 3.513 -4.896 0.861 1.00 11.46 H new ATOM 0 HB1 ALA A 102 1.871 -4.936 2.585 1.00 12.99 H new ATOM 0 HB2 ALA A 102 2.843 -6.178 2.729 1.00 12.99 H new ATOM 0 HB3 ALA A 102 3.026 -4.916 3.668 1.00 12.99 H new ATOM 1599 N ASN A 103 2.394 -2.605 1.345 1.00 11.71 N ATOM 1600 CA ASN A 103 2.051 -1.182 1.340 1.00 11.38 C ATOM 1601 C ASN A 103 0.805 -1.036 2.204 1.00 11.65 C ATOM 1602 O ASN A 103 -0.284 -1.465 1.822 1.00 12.24 O ATOM 1603 CB ASN A 103 1.771 -0.676 -0.080 1.00 14.36 C ATOM 1604 CG ASN A 103 3.020 -0.646 -0.938 1.00 18.82 C ATOM 1605 OD1 ASN A 103 3.503 -1.685 -1.382 1.00 22.71 O ATOM 1606 ND2 ASN A 103 3.566 0.546 -1.153 1.00 24.39 N ATOM 0 H ASN A 103 1.770 -3.113 1.042 1.00 11.71 H new ATOM 0 HA ASN A 103 2.790 -0.655 1.683 1.00 11.38 H new ATOM 0 HB2 ASN A 103 1.107 -1.246 -0.499 1.00 14.36 H new ATOM 0 HB3 ASN A 103 1.391 0.215 -0.034 1.00 14.36 H new ATOM 0 HD21 ASN A 103 4.286 0.612 -1.619 1.00 24.39 H new ATOM 0 HD22 ASN A 103 3.200 1.252 -0.826 1.00 24.39 H new ATOM 1614 N LYS A 104 0.979 -0.441 3.379 1.00 9.70 N ATOM 1615 CA LYS A 104 -0.109 -0.272 4.333 1.00 10.14 C ATOM 1616 C LYS A 104 -0.062 1.097 4.999 1.00 9.04 C ATOM 1617 O LYS A 104 0.946 1.792 4.938 1.00 9.58 O ATOM 1618 CB LYS A 104 0.024 -1.324 5.444 1.00 14.81 C ATOM 1619 CG LYS A 104 -0.120 -2.766 4.985 1.00 20.56 C ATOM 1620 CD LYS A 104 -1.559 -3.077 4.623 1.00 26.96 C ATOM 1621 CE LYS A 104 -1.723 -4.544 4.276 1.00 30.70 C ATOM 1622 NZ LYS A 104 -3.155 -4.868 4.037 1.00 33.48 N ATOM 0 H LYS A 104 1.733 -0.124 3.645 1.00 9.70 H new ATOM 0 HA LYS A 104 -0.942 -0.366 3.845 1.00 10.14 H new ATOM 0 HB2 LYS A 104 0.890 -1.219 5.868 1.00 14.81 H new ATOM 0 HB3 LYS A 104 -0.647 -1.146 6.121 1.00 14.81 H new ATOM 0 HG2 LYS A 104 0.452 -2.924 4.218 1.00 20.56 H new ATOM 0 HG3 LYS A 104 0.177 -3.364 5.688 1.00 20.56 H new ATOM 0 HD2 LYS A 104 -2.140 -2.849 5.366 1.00 26.96 H new ATOM 0 HD3 LYS A 104 -1.833 -2.530 3.870 1.00 26.96 H new ATOM 0 HE2 LYS A 104 -1.202 -4.755 3.485 1.00 30.70 H new ATOM 0 HE3 LYS A 104 -1.378 -5.093 4.998 1.00 30.70 H new ATOM 0 HZ1 LYS A 104 -3.235 -5.731 3.835 1.00 33.48 H new ATOM 0 HZ2 LYS A 104 -3.626 -4.691 4.771 1.00 33.48 H new ATOM 0 HZ3 LYS A 104 -3.462 -4.376 3.362 1.00 33.48 H new ATOM 1637 N HIS A 105 -1.167 1.461 5.645 1.00 8.46 N ATOM 1638 CA HIS A 105 -1.246 2.698 6.414 1.00 10.45 C ATOM 1639 C HIS A 105 -0.543 2.347 7.729 1.00 9.60 C ATOM 1640 O HIS A 105 -0.585 1.193 8.153 1.00 8.87 O ATOM 1641 CB HIS A 105 -2.702 3.072 6.723 1.00 11.22 C ATOM 1642 CG HIS A 105 -3.529 3.365 5.510 1.00 15.25 C ATOM 1643 ND1 HIS A 105 -3.792 4.647 5.083 1.00 18.67 N ATOM 1644 CD2 HIS A 105 -4.189 2.548 4.654 1.00 16.63 C ATOM 1645 CE1 HIS A 105 -4.575 4.616 4.019 1.00 19.37 C ATOM 1646 NE2 HIS A 105 -4.830 3.349 3.741 1.00 19.38 N ATOM 0 H HIS A 105 -1.891 0.997 5.649 1.00 8.46 H new ATOM 0 HA HIS A 105 -0.855 3.446 5.936 1.00 10.45 H new ATOM 0 HB2 HIS A 105 -3.115 2.346 7.216 1.00 11.22 H new ATOM 0 HB3 HIS A 105 -2.710 3.849 7.303 1.00 11.22 H new ATOM 0 HD1 HIS A 105 -3.491 5.362 5.454 1.00 18.67 H new ATOM 0 HD2 HIS A 105 -4.205 1.618 4.680 1.00 16.63 H new ATOM 0 HE1 HIS A 105 -4.891 5.354 3.549 1.00 19.37 H new ATOM 1656 N ILE A 106 0.121 3.306 8.364 1.00 8.95 N ATOM 1657 CA ILE A 106 0.789 3.018 9.630 1.00 9.16 C ATOM 1658 C ILE A 106 0.133 3.811 10.745 1.00 7.06 C ATOM 1659 O ILE A 106 -0.499 4.838 10.504 1.00 4.80 O ATOM 1660 CB ILE A 106 2.304 3.357 9.589 1.00 8.93 C ATOM 1661 CG1 ILE A 106 2.523 4.867 9.429 1.00 11.80 C ATOM 1662 CG2 ILE A 106 2.954 2.595 8.452 1.00 10.06 C ATOM 1663 CD1 ILE A 106 3.991 5.294 9.577 1.00 10.07 C ATOM 0 H ILE A 106 0.197 4.116 8.086 1.00 8.95 H new ATOM 0 HA ILE A 106 0.702 2.065 9.791 1.00 9.16 H new ATOM 0 HB ILE A 106 2.713 3.091 10.427 1.00 8.93 H new ATOM 0 HG12 ILE A 106 2.200 5.142 8.557 1.00 11.80 H new ATOM 0 HG13 ILE A 106 1.989 5.335 10.090 1.00 11.80 H new ATOM 0 HG21 ILE A 106 3.901 2.803 8.422 1.00 10.06 H new ATOM 0 HG22 ILE A 106 2.837 1.642 8.592 1.00 10.06 H new ATOM 0 HG23 ILE A 106 2.540 2.851 7.613 1.00 10.06 H new ATOM 0 HD11 ILE A 106 4.061 6.255 9.466 1.00 10.07 H new ATOM 0 HD12 ILE A 106 4.313 5.046 10.458 1.00 10.07 H new ATOM 0 HD13 ILE A 106 4.527 4.851 8.901 1.00 10.07 H new ATOM 1676 N ILE A 107 0.233 3.282 11.961 1.00 5.20 N ATOM 1677 CA ILE A 107 -0.318 3.926 13.140 1.00 5.73 C ATOM 1678 C ILE A 107 0.825 4.047 14.143 1.00 7.09 C ATOM 1679 O ILE A 107 1.446 3.052 14.504 1.00 6.43 O ATOM 1680 CB ILE A 107 -1.465 3.109 13.766 1.00 6.28 C ATOM 1681 CG1 ILE A 107 -2.633 3.008 12.780 1.00 10.42 C ATOM 1682 CG2 ILE A 107 -1.939 3.779 15.065 1.00 7.73 C ATOM 1683 CD1 ILE A 107 -3.700 2.023 13.220 1.00 13.60 C ATOM 0 H ILE A 107 0.626 2.534 12.122 1.00 5.20 H new ATOM 0 HA ILE A 107 -0.689 4.789 12.897 1.00 5.73 H new ATOM 0 HB ILE A 107 -1.141 2.217 13.969 1.00 6.28 H new ATOM 0 HG12 ILE A 107 -3.034 3.884 12.672 1.00 10.42 H new ATOM 0 HG13 ILE A 107 -2.294 2.742 11.911 1.00 10.42 H new ATOM 0 HG21 ILE A 107 -2.660 3.259 15.453 1.00 7.73 H new ATOM 0 HG22 ILE A 107 -1.201 3.826 15.693 1.00 7.73 H new ATOM 0 HG23 ILE A 107 -2.255 4.675 14.870 1.00 7.73 H new ATOM 0 HD11 ILE A 107 -4.411 2.000 12.561 1.00 13.60 H new ATOM 0 HD12 ILE A 107 -3.310 1.139 13.304 1.00 13.60 H new ATOM 0 HD13 ILE A 107 -4.062 2.299 14.077 1.00 13.60 H new ATOM 1696 N VAL A 108 1.110 5.276 14.563 1.00 5.49 N ATOM 1697 CA VAL A 108 2.191 5.532 15.506 1.00 6.59 C ATOM 1698 C VAL A 108 1.707 6.362 16.689 1.00 6.18 C ATOM 1699 O VAL A 108 0.707 7.068 16.596 1.00 8.59 O ATOM 1700 CB VAL A 108 3.362 6.307 14.816 1.00 7.96 C ATOM 1701 CG1 VAL A 108 3.938 5.480 13.677 1.00 10.26 C ATOM 1702 CG2 VAL A 108 2.867 7.649 14.275 1.00 11.90 C ATOM 0 H VAL A 108 0.685 5.980 14.311 1.00 5.49 H new ATOM 0 HA VAL A 108 2.502 4.668 15.818 1.00 6.59 H new ATOM 0 HB VAL A 108 4.054 6.468 15.476 1.00 7.96 H new ATOM 0 HG11 VAL A 108 4.663 5.969 13.256 1.00 10.26 H new ATOM 0 HG12 VAL A 108 4.275 4.640 14.025 1.00 10.26 H new ATOM 0 HG13 VAL A 108 3.245 5.303 13.022 1.00 10.26 H new ATOM 0 HG21 VAL A 108 3.602 8.118 13.851 1.00 11.90 H new ATOM 0 HG22 VAL A 108 2.163 7.496 13.625 1.00 11.90 H new ATOM 0 HG23 VAL A 108 2.521 8.185 15.006 1.00 11.90 H new ATOM 1713 N ALA A 109 2.416 6.254 17.808 1.00 5.38 N ATOM 1714 CA ALA A 109 2.114 7.043 18.991 1.00 6.79 C ATOM 1715 C ALA A 109 3.091 8.217 18.961 1.00 6.94 C ATOM 1716 O ALA A 109 4.251 8.044 18.587 1.00 7.83 O ATOM 1717 CB ALA A 109 2.304 6.219 20.255 1.00 7.66 C ATOM 0 H ALA A 109 3.085 5.721 17.900 1.00 5.38 H new ATOM 0 HA ALA A 109 1.192 7.343 18.993 1.00 6.79 H new ATOM 0 HB1 ALA A 109 2.098 6.764 21.031 1.00 7.66 H new ATOM 0 HB2 ALA A 109 1.712 5.451 20.233 1.00 7.66 H new ATOM 0 HB3 ALA A 109 3.224 5.916 20.309 1.00 7.66 H new ATOM 1724 N CYS A 110 2.616 9.406 19.322 1.00 6.36 N ATOM 1725 CA CYS A 110 3.444 10.605 19.303 1.00 8.01 C ATOM 1726 C CYS A 110 3.539 11.257 20.679 1.00 7.73 C ATOM 1727 O CYS A 110 2.581 11.238 21.451 1.00 8.50 O ATOM 1728 CB CYS A 110 2.857 11.604 18.311 1.00 8.49 C ATOM 1729 SG CYS A 110 2.634 10.921 16.636 1.00 8.75 S ATOM 0 H CYS A 110 1.808 9.539 19.584 1.00 6.36 H new ATOM 0 HA CYS A 110 4.340 10.344 19.037 1.00 8.01 H new ATOM 0 HB2 CYS A 110 2.000 11.913 18.643 1.00 8.49 H new ATOM 0 HB3 CYS A 110 3.438 12.379 18.262 1.00 8.49 H new ATOM 1735 N GLU A 111 4.693 11.864 20.952 1.00 8.86 N ATOM 1736 CA GLU A 111 4.964 12.540 22.224 1.00 10.69 C ATOM 1737 C GLU A 111 5.976 13.667 22.026 1.00 13.34 C ATOM 1738 O GLU A 111 6.695 13.712 21.024 1.00 12.70 O ATOM 1739 CB GLU A 111 5.598 11.579 23.245 1.00 11.21 C ATOM 1740 CG GLU A 111 4.752 10.386 23.666 1.00 14.47 C ATOM 1741 CD GLU A 111 5.488 9.494 24.661 1.00 13.98 C ATOM 1742 OE1 GLU A 111 6.491 9.945 25.253 1.00 15.30 O ATOM 1743 OE2 GLU A 111 5.066 8.337 24.854 1.00 16.21 O ATOM 0 H GLU A 111 5.350 11.896 20.398 1.00 8.86 H new ATOM 0 HA GLU A 111 4.111 12.874 22.544 1.00 10.69 H new ATOM 0 HB2 GLU A 111 6.430 11.246 22.873 1.00 11.21 H new ATOM 0 HB3 GLU A 111 5.825 12.086 24.040 1.00 11.21 H new ATOM 0 HG2 GLU A 111 3.925 10.700 24.063 1.00 14.47 H new ATOM 0 HG3 GLU A 111 4.511 9.867 22.883 1.00 14.47 H new ATOM 1751 N GLY A 112 6.015 14.575 22.996 1.00 13.72 N ATOM 1752 CA GLY A 112 6.996 15.646 22.989 1.00 14.60 C ATOM 1753 C GLY A 112 6.707 16.919 22.224 1.00 14.41 C ATOM 1754 O GLY A 112 5.632 17.130 21.663 1.00 16.54 O ATOM 0 H GLY A 112 5.479 14.586 23.668 1.00 13.72 H new ATOM 0 HA2 GLY A 112 7.162 15.893 23.912 1.00 14.60 H new ATOM 0 HA3 GLY A 112 7.824 15.279 22.640 1.00 14.60 H new ATOM 1759 N ASN A 113 7.719 17.783 22.247 1.00 17.54 N ATOM 1760 CA ASN A 113 7.707 19.076 21.582 1.00 20.19 C ATOM 1761 C ASN A 113 9.129 19.312 21.063 1.00 19.50 C ATOM 1762 O ASN A 113 10.032 19.616 21.842 1.00 20.27 O ATOM 1763 CB ASN A 113 7.304 20.171 22.576 1.00 23.37 C ATOM 1764 CG ASN A 113 7.256 21.547 21.942 1.00 26.25 C ATOM 1765 OD1 ASN A 113 6.626 21.744 20.901 1.00 28.50 O ATOM 1766 ND2 ASN A 113 7.911 22.514 22.578 1.00 27.88 N ATOM 0 H ASN A 113 8.454 17.624 22.665 1.00 17.54 H new ATOM 0 HA ASN A 113 7.067 19.096 20.853 1.00 20.19 H new ATOM 0 HB2 ASN A 113 6.434 19.960 22.949 1.00 23.37 H new ATOM 0 HB3 ASN A 113 7.934 20.181 23.314 1.00 23.37 H new ATOM 0 HD21 ASN A 113 7.906 23.315 22.265 1.00 27.88 H new ATOM 0 HD22 ASN A 113 8.340 22.338 23.302 1.00 27.88 H new ATOM 1772 N PRO A 114 9.355 19.145 19.743 1.00 18.22 N ATOM 1773 CA PRO A 114 8.420 18.759 18.677 1.00 15.71 C ATOM 1774 C PRO A 114 7.681 17.439 18.909 1.00 13.85 C ATOM 1775 O PRO A 114 8.224 16.488 19.471 1.00 10.80 O ATOM 1776 CB PRO A 114 9.313 18.659 17.439 1.00 17.39 C ATOM 1777 CG PRO A 114 10.490 19.475 17.735 1.00 18.54 C ATOM 1778 CD PRO A 114 10.706 19.383 19.207 1.00 19.30 C ATOM 0 HA PRO A 114 7.702 19.407 18.611 1.00 15.71 H new ATOM 0 HB2 PRO A 114 9.562 17.738 17.262 1.00 17.39 H new ATOM 0 HB3 PRO A 114 8.853 18.985 16.650 1.00 17.39 H new ATOM 0 HG2 PRO A 114 11.266 19.151 17.251 1.00 18.54 H new ATOM 0 HG3 PRO A 114 10.350 20.395 17.463 1.00 18.54 H new ATOM 0 HD2 PRO A 114 11.312 18.660 19.434 1.00 19.30 H new ATOM 0 HD3 PRO A 114 11.092 20.199 19.562 1.00 19.30 H new ATOM 1786 N TYR A 115 6.435 17.414 18.450 1.00 12.23 N ATOM 1787 CA TYR A 115 5.543 16.262 18.560 1.00 12.17 C ATOM 1788 C TYR A 115 5.959 15.263 17.479 1.00 11.68 C ATOM 1789 O TYR A 115 5.685 15.469 16.295 1.00 12.02 O ATOM 1790 CB TYR A 115 4.103 16.742 18.344 1.00 13.01 C ATOM 1791 CG TYR A 115 3.038 15.850 18.939 1.00 12.74 C ATOM 1792 CD1 TYR A 115 3.111 15.429 20.259 1.00 11.77 C ATOM 1793 CD2 TYR A 115 1.941 15.464 18.186 1.00 12.96 C ATOM 1794 CE1 TYR A 115 2.120 14.648 20.812 1.00 14.21 C ATOM 1795 CE2 TYR A 115 0.945 14.672 18.730 1.00 13.94 C ATOM 1796 CZ TYR A 115 1.039 14.270 20.046 1.00 13.67 C ATOM 1797 OH TYR A 115 0.054 13.494 20.604 1.00 15.26 O ATOM 0 H TYR A 115 6.073 18.086 18.054 1.00 12.23 H new ATOM 0 HA TYR A 115 5.597 15.839 19.431 1.00 12.17 H new ATOM 0 HB2 TYR A 115 4.012 17.630 18.724 1.00 13.01 H new ATOM 0 HB3 TYR A 115 3.943 16.823 17.391 1.00 13.01 H new ATOM 0 HD1 TYR A 115 3.841 15.678 20.779 1.00 11.77 H new ATOM 0 HD2 TYR A 115 1.873 15.742 17.301 1.00 12.96 H new ATOM 0 HE1 TYR A 115 2.180 14.377 21.700 1.00 14.21 H new ATOM 0 HE2 TYR A 115 0.218 14.413 18.212 1.00 13.94 H new ATOM 0 HH TYR A 115 -0.540 13.340 20.031 1.00 15.26 H new ATOM 1808 N VAL A 116 6.618 14.182 17.894 1.00 8.82 N ATOM 1809 CA VAL A 116 7.134 13.184 16.959 1.00 6.94 C ATOM 1810 C VAL A 116 6.825 11.737 17.364 1.00 7.52 C ATOM 1811 O VAL A 116 6.467 11.467 18.514 1.00 5.97 O ATOM 1812 CB VAL A 116 8.677 13.333 16.858 1.00 10.52 C ATOM 1813 CG1 VAL A 116 9.034 14.684 16.258 1.00 13.78 C ATOM 1814 CG2 VAL A 116 9.307 13.211 18.246 1.00 10.69 C ATOM 0 H VAL A 116 6.778 14.007 18.721 1.00 8.82 H new ATOM 0 HA VAL A 116 6.691 13.350 16.112 1.00 6.94 H new ATOM 0 HB VAL A 116 9.020 12.628 16.286 1.00 10.52 H new ATOM 0 HG11 VAL A 116 9.999 14.767 16.199 1.00 13.78 H new ATOM 0 HG12 VAL A 116 8.649 14.756 15.371 1.00 13.78 H new ATOM 0 HG13 VAL A 116 8.683 15.391 16.821 1.00 13.78 H new ATOM 0 HG21 VAL A 116 10.270 13.305 18.174 1.00 10.69 H new ATOM 0 HG22 VAL A 116 8.957 13.908 18.823 1.00 10.69 H new ATOM 0 HG23 VAL A 116 9.095 12.343 18.623 1.00 10.69 H new ATOM 1825 N PRO A 117 6.967 10.784 16.417 1.00 6.26 N ATOM 1826 CA PRO A 117 6.704 9.364 16.687 1.00 7.33 C ATOM 1827 C PRO A 117 7.694 8.728 17.663 1.00 7.00 C ATOM 1828 O PRO A 117 8.904 8.921 17.543 1.00 8.36 O ATOM 1829 CB PRO A 117 6.810 8.710 15.306 1.00 8.40 C ATOM 1830 CG PRO A 117 6.641 9.816 14.336 1.00 8.84 C ATOM 1831 CD PRO A 117 7.241 11.012 14.986 1.00 7.37 C ATOM 0 HA PRO A 117 5.843 9.245 17.117 1.00 7.33 H new ATOM 0 HB2 PRO A 117 7.668 8.272 15.191 1.00 8.40 H new ATOM 0 HB3 PRO A 117 6.127 8.032 15.186 1.00 8.40 H new ATOM 0 HG2 PRO A 117 7.085 9.615 13.497 1.00 8.84 H new ATOM 0 HG3 PRO A 117 5.704 9.962 14.133 1.00 8.84 H new ATOM 0 HD2 PRO A 117 8.192 11.078 14.808 1.00 7.37 H new ATOM 0 HD3 PRO A 117 6.836 11.834 14.669 1.00 7.37 H new ATOM 1839 N VAL A 118 7.168 7.971 18.625 1.00 5.35 N ATOM 1840 CA VAL A 118 7.993 7.289 19.620 1.00 6.08 C ATOM 1841 C VAL A 118 7.608 5.818 19.783 1.00 7.07 C ATOM 1842 O VAL A 118 8.169 5.118 20.620 1.00 9.07 O ATOM 1843 CB VAL A 118 7.893 7.963 21.016 1.00 7.10 C ATOM 1844 CG1 VAL A 118 8.410 9.396 20.946 1.00 8.44 C ATOM 1845 CG2 VAL A 118 6.442 7.956 21.512 1.00 7.35 C ATOM 0 H VAL A 118 6.323 7.839 18.719 1.00 5.35 H new ATOM 0 HA VAL A 118 8.901 7.352 19.285 1.00 6.08 H new ATOM 0 HB VAL A 118 8.439 7.459 21.640 1.00 7.10 H new ATOM 0 HG11 VAL A 118 8.343 9.807 21.822 1.00 8.44 H new ATOM 0 HG12 VAL A 118 9.337 9.392 20.661 1.00 8.44 H new ATOM 0 HG13 VAL A 118 7.879 9.901 20.311 1.00 8.44 H new ATOM 0 HG21 VAL A 118 6.396 8.380 22.383 1.00 7.35 H new ATOM 0 HG22 VAL A 118 5.884 8.443 20.886 1.00 7.35 H new ATOM 0 HG23 VAL A 118 6.128 7.041 21.581 1.00 7.35 H new ATOM 1856 N HIS A 119 6.651 5.350 18.986 1.00 6.52 N ATOM 1857 CA HIS A 119 6.210 3.965 19.059 1.00 9.37 C ATOM 1858 C HIS A 119 5.430 3.581 17.805 1.00 7.96 C ATOM 1859 O HIS A 119 4.619 4.356 17.304 1.00 8.84 O ATOM 1860 CB HIS A 119 5.338 3.777 20.316 1.00 12.84 C ATOM 1861 CG HIS A 119 4.409 2.602 20.253 1.00 18.81 C ATOM 1862 ND1 HIS A 119 4.837 1.294 20.337 1.00 22.58 N ATOM 1863 CD2 HIS A 119 3.058 2.542 20.149 1.00 21.54 C ATOM 1864 CE1 HIS A 119 3.798 0.480 20.290 1.00 22.07 C ATOM 1865 NE2 HIS A 119 2.706 1.215 20.174 1.00 22.47 N ATOM 0 H HIS A 119 6.244 5.823 18.394 1.00 6.52 H new ATOM 0 HA HIS A 119 6.986 3.386 19.116 1.00 9.37 H new ATOM 0 HB2 HIS A 119 5.918 3.676 21.087 1.00 12.84 H new ATOM 0 HB3 HIS A 119 4.815 4.582 20.457 1.00 12.84 H new ATOM 0 HD2 HIS A 119 2.478 3.265 20.075 1.00 21.54 H new ATOM 0 HE1 HIS A 119 3.829 -0.449 20.331 1.00 22.07 H new ATOM 0 HE2 HIS A 119 1.903 0.911 20.122 1.00 22.47 H new ATOM 1875 N PHE A 120 5.719 2.393 17.286 1.00 7.38 N ATOM 1876 CA PHE A 120 5.020 1.878 16.120 1.00 6.72 C ATOM 1877 C PHE A 120 3.928 0.971 16.670 1.00 7.33 C ATOM 1878 O PHE A 120 4.217 -0.070 17.265 1.00 8.43 O ATOM 1879 CB PHE A 120 5.965 1.091 15.212 1.00 7.32 C ATOM 1880 CG PHE A 120 5.358 0.747 13.888 1.00 8.89 C ATOM 1881 CD1 PHE A 120 4.595 -0.400 13.737 1.00 10.18 C ATOM 1882 CD2 PHE A 120 5.526 1.584 12.799 1.00 8.99 C ATOM 1883 CE1 PHE A 120 4.013 -0.701 12.523 1.00 10.76 C ATOM 1884 CE2 PHE A 120 4.946 1.282 11.581 1.00 9.27 C ATOM 1885 CZ PHE A 120 4.190 0.141 11.445 1.00 10.54 C ATOM 0 H PHE A 120 6.323 1.867 17.599 1.00 7.38 H new ATOM 0 HA PHE A 120 4.657 2.597 15.579 1.00 6.72 H new ATOM 0 HB2 PHE A 120 6.772 1.610 15.067 1.00 7.32 H new ATOM 0 HB3 PHE A 120 6.231 0.274 15.662 1.00 7.32 H new ATOM 0 HD1 PHE A 120 4.474 -0.972 14.460 1.00 10.18 H new ATOM 0 HD2 PHE A 120 6.034 2.358 12.887 1.00 8.99 H new ATOM 0 HE1 PHE A 120 3.501 -1.472 12.431 1.00 10.76 H new ATOM 0 HE2 PHE A 120 5.067 1.850 10.854 1.00 9.27 H new ATOM 0 HZ PHE A 120 3.798 -0.063 10.626 1.00 10.54 H new ATOM 1896 N ASP A 121 2.675 1.357 16.460 1.00 6.77 N ATOM 1897 CA ASP A 121 1.553 0.596 16.992 1.00 9.24 C ATOM 1898 C ASP A 121 1.031 -0.508 16.076 1.00 8.23 C ATOM 1899 O ASP A 121 0.796 -1.621 16.547 1.00 9.05 O ATOM 1900 CB ASP A 121 0.413 1.552 17.341 1.00 9.74 C ATOM 1901 CG ASP A 121 -0.614 0.918 18.254 1.00 11.14 C ATOM 1902 OD1 ASP A 121 -0.258 0.586 19.402 1.00 15.38 O ATOM 1903 OD2 ASP A 121 -1.774 0.758 17.828 1.00 11.86 O ATOM 0 H ASP A 121 2.453 2.057 16.012 1.00 6.77 H new ATOM 0 HA ASP A 121 1.892 0.142 17.779 1.00 9.24 H new ATOM 0 HB2 ASP A 121 0.777 2.343 17.768 1.00 9.74 H new ATOM 0 HB3 ASP A 121 -0.021 1.845 16.525 1.00 9.74 H new ATOM 1909 N ALA A 122 0.845 -0.209 14.789 1.00 7.22 N ATOM 1910 CA ALA A 122 0.321 -1.197 13.843 1.00 9.72 C ATOM 1911 C ALA A 122 0.275 -0.692 12.404 1.00 10.51 C ATOM 1912 O ALA A 122 0.490 0.487 12.133 1.00 11.04 O ATOM 1913 CB ALA A 122 -1.087 -1.591 14.254 1.00 12.11 C ATOM 0 H ALA A 122 1.016 0.560 14.444 1.00 7.22 H new ATOM 0 HA ALA A 122 0.928 -1.953 13.870 1.00 9.72 H new ATOM 0 HB1 ALA A 122 -1.436 -2.245 13.629 1.00 12.11 H new ATOM 0 HB2 ALA A 122 -1.069 -1.974 15.145 1.00 12.11 H new ATOM 0 HB3 ALA A 122 -1.657 -0.806 14.251 1.00 12.11 H new ATOM 1920 N SER A 123 -0.007 -1.621 11.494 1.00 11.06 N ATOM 1921 CA SER A 123 -0.153 -1.337 10.074 1.00 12.84 C ATOM 1922 C SER A 123 -1.529 -1.873 9.698 1.00 13.39 C ATOM 1923 O SER A 123 -1.882 -2.997 10.063 1.00 14.59 O ATOM 1924 CB SER A 123 0.939 -2.035 9.261 1.00 14.74 C ATOM 1925 OG SER A 123 0.936 -3.430 9.506 1.00 17.42 O ATOM 0 H SER A 123 -0.121 -2.450 11.691 1.00 11.06 H new ATOM 0 HA SER A 123 -0.069 -0.389 9.887 1.00 12.84 H new ATOM 0 HB2 SER A 123 0.800 -1.868 8.316 1.00 14.74 H new ATOM 0 HB3 SER A 123 1.805 -1.664 9.490 1.00 14.74 H new ATOM 0 HG SER A 123 0.169 -3.670 9.750 1.00 17.42 H new ATOM 1932 N VAL A 124 -2.309 -1.067 8.986 1.00 14.28 N ATOM 1933 CA VAL A 124 -3.667 -1.462 8.603 1.00 15.29 C ATOM 1934 C VAL A 124 -3.970 -1.171 7.136 1.00 15.12 C ATOM 1935 O VAL A 124 -5.021 -1.639 6.654 1.00 16.38 O ATOM 1936 CB VAL A 124 -4.720 -0.723 9.467 1.00 15.33 C ATOM 1937 CG1 VAL A 124 -4.561 -1.104 10.933 1.00 15.15 C ATOM 1938 CG2 VAL A 124 -4.567 0.778 9.317 1.00 16.73 C ATOM 1939 OXT VAL A 124 -3.162 -0.484 6.483 1.00 15.96 O ATOM 0 H VAL A 124 -2.074 -0.286 8.713 1.00 14.28 H new ATOM 0 HA VAL A 124 -3.717 -2.420 8.749 1.00 15.29 H new ATOM 0 HB VAL A 124 -5.603 -0.985 9.162 1.00 15.33 H new ATOM 0 HG11 VAL A 124 -5.225 -0.636 11.463 1.00 15.15 H new ATOM 0 HG12 VAL A 124 -4.684 -2.061 11.034 1.00 15.15 H new ATOM 0 HG13 VAL A 124 -3.673 -0.858 11.237 1.00 15.15 H new ATOM 0 HG21 VAL A 124 -5.231 1.227 9.862 1.00 16.73 H new ATOM 0 HG22 VAL A 124 -3.680 1.043 9.605 1.00 16.73 H new ATOM 0 HG23 VAL A 124 -4.692 1.025 8.387 1.00 16.73 H new TER 1950 VAL A 124 HETATM 1951 O DOD A1001 7.172 -10.810 8.101 1.00 12.34 O HETATM 1954 O DOD A1002 20.993 4.233 25.697 1.00 18.14 O HETATM 1957 O DOD A1003 10.526 2.564 18.804 1.00 16.54 O HETATM 1960 O DOD A1004 11.956 -14.222 4.042 1.00 14.32 O HETATM 1963 O DOD A1005 10.889 9.814 15.870 1.00 16.61 O HETATM 1966 O DOD A1006 8.694 9.549 1.673 1.00 14.07 O HETATM 1969 O DOD A1007 19.469 10.381 21.360 1.00 19.32 O HETATM 1972 O DOD A1008 15.234 -12.399 7.066 1.00 11.43 O HETATM 1975 O DOD A1009 18.956 -11.219 12.857 1.00 21.31 O HETATM 1978 O DOD A1010 2.795 11.391 5.205 1.00 21.78 O HETATM 1981 O DOD A1011 15.328 -14.733 22.257 1.00 20.44 O HETATM 1984 O DOD A1012 20.053 5.888 17.837 1.00 14.40 O HETATM 1987 O DOD A1013 18.626 7.313 15.614 1.00 18.79 O HETATM 1990 O DOD A1014 0.110 9.884 5.084 1.00 23.04 O HETATM 1993 O DOD A1015 14.961 10.764 5.884 1.00 22.99 O HETATM 1996 O DOD A1016 -7.490 14.054 13.581 1.00 28.95 O HETATM 1999 O DOD A1017 6.846 -9.986 0.254 1.00 25.97 O HETATM 2002 O DOD A1018 20.772 -11.908 15.328 1.00 27.76 O HETATM 2005 O DOD A1019 16.904 5.683 7.690 1.00 18.09 O HETATM 2008 O DOD A1020 22.494 -11.527 18.702 1.00 26.48 O HETATM 2011 O DOD A1021 10.825 4.833 21.142 1.00 20.74 O HETATM 2014 O DOD A1022 8.422 -15.667 19.012 1.00 27.68 O HETATM 2017 O DOD A1023 9.392 3.567 -0.578 1.00 29.83 O HETATM 2020 O DOD A1024 10.412 15.770 21.061 1.00 34.53 O HETATM 2023 O DOD A1025 13.805 13.766 5.899 1.00 24.48 O HETATM 2026 O DOD A1026 3.180 6.700 23.612 1.00 20.62 O HETATM 2029 O DOD A1027 9.215 12.885 22.167 1.00 29.88 O HETATM 2032 O DOD A1028 22.118 -6.961 17.064 1.00 22.62 O HETATM 2035 O DOD A1029 17.911 -6.779 21.935 1.00 22.56 O HETATM 2038 O DOD A1030 16.583 -3.355 -0.127 1.00 33.81 O HETATM 2041 O DOD A1031 -2.644 6.066 -0.610 1.00 28.16 O HETATM 2044 O DOD A1032 16.197 13.196 13.318 1.00 27.73 O HETATM 2047 O DOD A1033 19.127 -19.912 14.190 1.00 55.59 O HETATM 2050 O DOD A1034 17.514 -13.971 -0.355 1.00 24.82 O HETATM 2053 O DOD A1035 22.579 0.711 19.358 1.00 22.85 O HETATM 2056 O DOD A1036 11.870 11.469 22.646 1.00 28.32 O HETATM 2059 O DOD A1037 7.759 2.419 22.204 1.00 33.25 O HETATM 2062 O DOD A1038 21.735 -0.268 9.611 1.00 33.86 O HETATM 2065 O DOD A1039 6.735 4.825 23.766 1.00 25.02 O HETATM 2068 O DOD A1040 -7.741 1.900 11.762 1.00 28.57 O HETATM 2071 O DOD A1041 8.325 0.660 19.303 1.00 42.41 O HETATM 2074 O DOD A1042 25.479 -2.459 15.021 1.00 23.73 O HETATM 2077 O DOD A1043 7.480 -2.870 21.558 1.00 43.80 O HETATM 2080 O DOD A1044 7.036 -2.760 14.809 1.00 18.46 O HETATM 2083 O DOD A1045 16.066 0.779 -3.237 1.00 32.08 O HETATM 2086 O DOD A1046 7.384 16.397 8.986 1.00 25.94 O HETATM 2089 O DOD A1047 10.464 -9.543 1.036 1.00 30.35 O HETATM 2092 O DOD A1048 0.720 -5.071 12.228 1.00 30.21 O HETATM 2095 O DOD A1049 21.064 8.205 19.776 1.00 26.94 O HETATM 2098 O DOD A1050 4.966 8.720 1.840 1.00 25.19 O HETATM 2101 O DOD A1051 12.583 12.081 14.970 1.00 36.67 O HETATM 2104 O DOD A1052 11.749 -12.208 0.452 1.00 43.11 O HETATM 2107 O DOD A1053 18.773 -1.864 21.218 1.00 49.52 O HETATM 2110 O DOD A1054 15.023 -16.468 7.403 1.00 33.46 O HETATM 2113 O DOD A1055 19.283 -19.504 22.768 1.00 34.41 O HETATM 2116 O DOD A1056 8.010 7.089 25.440 1.00 32.96 O HETATM 2119 O DOD A1057 16.719 5.211 10.759 1.00 34.85 O HETATM 2122 O DOD A1058 9.707 -11.915 -1.641 1.00 50.46 O HETATM 2125 O DOD A1059 -0.191 -0.085 22.179 1.00 28.59 O HETATM 2128 O DOD A1060 5.155 20.021 17.101 1.00 34.52 O HETATM 2131 O DOD A1061 -7.861 0.647 14.557 1.00 34.02 O HETATM 2134 O DOD A1062 22.356 10.865 26.304 1.00 38.94 O HETATM 2137 O DOD A1063 16.248 4.910 26.324 1.00 34.29 O HETATM 2140 O DOD A1064 15.731 -17.601 21.488 1.00 29.54 O HETATM 2143 O DOD A1065 12.601 9.839 26.015 1.00 31.67 O HETATM 2146 O DOD A1066 9.238 25.646 22.515 1.00 31.60 O HETATM 2149 O DOD A1067 -5.156 -4.658 7.040 1.00 41.41 O HETATM 2152 O DOD A1068 3.293 -3.926 10.879 1.00 35.65 O HETATM 2155 O DOD A1069 -7.106 1.862 6.816 1.00 44.49 O HETATM 2158 O DOD A1070 13.577 -17.926 19.509 1.00 45.88 O HETATM 2161 O DOD A1071 14.973 -18.870 9.395 1.00 25.82 O HETATM 2164 O DOD A1072 20.883 3.972 9.415 1.00 46.55 O HETATM 2167 O DOD A1073 20.856 11.689 23.836 1.00 43.57 O HETATM 2170 O DOD A1074 9.693 13.707 1.535 1.00 40.92 O HETATM 2173 O DOD A1075 15.657 13.287 19.897 1.00 47.34 O HETATM 2176 O DOD A1076 6.379 -1.737 18.068 1.00 29.99 O HETATM 2179 O DOD A1077 17.718 -7.292 1.036 1.00 24.63 O HETATM 2182 O DOD A1078 5.845 -3.056 -1.689 1.00 35.79 O HETATM 2185 O DOD A1079 21.326 0.567 22.175 1.00 37.48 O HETATM 2188 O DOD A1080 20.920 -9.174 3.432 1.00 40.16 O HETATM 2191 O DOD A1081 -1.313 16.788 16.176 1.00 30.38 O HETATM 2194 O DOD A1082 19.417 5.661 11.351 1.00 49.18 O HETATM 2197 O DOD A1083 7.303 6.733 -1.358 1.00 36.26 O HETATM 2200 O DOD A1084 19.948 3.651 13.361 1.00 44.07 O HETATM 2203 O DOD A1085 15.086 8.480 8.033 1.00 59.89 O HETATM 2204 O DOD A1086 3.774 16.293 12.770 1.00 42.58 O HETATM 2205 O DOD A1087 -7.954 13.963 10.557 1.00 61.68 O HETATM 2206 O DOD A1088 15.961 -2.185 20.830 1.00 47.14 O HETATM 2207 O DOD A1089 6.358 -0.206 22.243 1.00 69.32 O HETATM 2208 O DOD A1090 16.407 -20.084 23.002 1.00 60.48 O HETATM 2209 O DOD A1091 10.094 7.009 -0.320 1.00 72.98 O HETATM 2210 O DOD A1092 16.540 8.344 10.369 1.00 58.93 O CONECT 386 1311 CONECT 631 1481 CONECT 918 1729 CONECT 1021 1123 CONECT 1123 1021 CONECT 1311 386 CONECT 1481 631 CONECT 1729 918 END