USER MOD reduce.3.24.130724 H: found=0, std=0, add=1179, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER VIRAL PROTEIN 11-FEB-09 3G80 TITLE NODAMURA VIRUS PROTEIN B2, RNA-BINDING DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN B2; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: RNA-BINDING DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NODAMURA VIRUS; SOURCE 3 ORGANISM_COMMON: NOV; SOURCE 4 ORGANISM_TAXID: 12288; SOURCE 5 GENE: B2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PET16B+ KEYWDS RNA-BINDING, VIRAL PROTEIN, SUPPRESSOR OF RNAI, RNA KEYWDS 2 INTERFERENCE EXPDTA X-RAY DIFFRACTION AUTHOR S.KORBER,P.SHAIK SYED ALI,J.C.CHEN REVDAT 1 05-JAN-10 3G80 0 JRNL AUTH S.KORBER,P.SHAIK SYED ALI,J.C.CHEN JRNL TITL STRUCTURE OF THE RNA-BINDING DOMAIN OF NODAMURA JRNL TITL 2 VIRUS PROTEIN B2, A SUPPRESSOR OF RNA INTERFERENCE. JRNL REF BIOCHEMISTRY V. 48 2307 2009 JRNL REFN ISSN 0006-2960 JRNL PMID 19249868 JRNL DOI 10.1021/BI900126S REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 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 : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 500.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.8 REMARK 3 NUMBER OF REFLECTIONS : 6576 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) : 0.233 REMARK 3 FREE R VALUE : 0.297 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.500 REMARK 3 FREE R VALUE TEST SET COUNT : 367 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1142 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 81 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 34.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 34.02 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -9.57200 REMARK 3 B22 (A**2) : 0.20000 REMARK 3 B33 (A**2) : 9.37200 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.31 REMARK 3 ESD FROM SIGMAA (A) : 0.24 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) : 0.39 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.22 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : 1.17 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 69.78 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 : CNS_TOPPAR:PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : CNS_TOPPAR:WATER.PARAM REMARK 3 PARAMETER FILE 3 : CNS_TOPPAR:ION.PARAM REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3G80 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-FEB-09. REMARK 100 THE RCSB ID CODE IS RCSB051538. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 03-SEP-08 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID29 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9762 REMARK 200 MONOCHROMATOR : SI(311) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6576 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 REMARK 200 RESOLUTION RANGE LOW (A) : 500.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.2 REMARK 200 DATA REDUNDANCY : 6.300 REMARK 200 R MERGE (I) : 0.09700 REMARK 200 R SYM (I) : 0.09700 REMARK 200 FOR THE DATA SET : 6.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.64 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.42800 REMARK 200 R SYM FOR SHELL (I) : 0.42800 REMARK 200 FOR SHELL : 1.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: 2B9Z.PDB REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 38.97 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.02 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 15% PEG 3350, PH 8.5, VAPOR REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 16.09500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 49.28000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 28.30000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 49.28000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 16.09500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 28.30000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2740 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 8480 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -26.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A -18 REMARK 465 GLY A -17 REMARK 465 HIS A -16 REMARK 465 HIS A -15 REMARK 465 HIS A -14 REMARK 465 HIS A -13 REMARK 465 HIS A -12 REMARK 465 HIS A -11 REMARK 465 HIS A -10 REMARK 465 ALA A -9 REMARK 465 MET A -8 REMARK 465 GLU A -7 REMARK 465 ASN A -6 REMARK 465 LEU A -5 REMARK 465 TYR A -4 REMARK 465 PHE A -3 REMARK 465 GLN A -2 REMARK 465 GLY A -1 REMARK 465 HIS A 0 REMARK 465 MET A 1 REMARK 465 THR A 2 REMARK 465 ASN A 3 REMARK 465 MET A 4 REMARK 465 GLU A 78 REMARK 465 MET B -18 REMARK 465 GLY B -17 REMARK 465 HIS B -16 REMARK 465 HIS B -15 REMARK 465 HIS B -14 REMARK 465 HIS B -13 REMARK 465 HIS B -12 REMARK 465 HIS B -11 REMARK 465 HIS B -10 REMARK 465 ALA B -9 REMARK 465 MET B -8 REMARK 465 GLU B -7 REMARK 465 ASN B -6 REMARK 465 LEU B -5 REMARK 465 TYR B -4 REMARK 465 PHE B -3 REMARK 465 GLN B -2 REMARK 465 GLY B -1 REMARK 465 HIS B 0 REMARK 465 MET B 1 REMARK 465 THR B 2 REMARK 465 ASN B 3 REMARK 465 MET B 4 REMARK 465 SER B 5 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 SER A 5 OG REMARK 470 GLU B 78 CB CG CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP B 36 103.48 -51.83 REMARK 500 GLU B 77 26.29 84.92 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH B 98 DISTANCE = 5.45 ANGSTROMS REMARK 525 HOH B 108 DISTANCE = 7.80 ANGSTROMS REMARK 525 HOH B 110 DISTANCE = 5.76 ANGSTROMS REMARK 525 HOH A 116 DISTANCE = 5.97 ANGSTROMS REMARK 525 HOH A 120 DISTANCE = 6.00 ANGSTROMS REMARK 525 HOH A 123 DISTANCE = 5.48 ANGSTROMS DBREF 3G80 A 1 78 UNP Q9IMM3 Q9IMM3_NODAV 1 78 DBREF 3G80 B 1 78 UNP Q9IMM3 Q9IMM3_NODAV 1 78 SEQADV 3G80 MET A -18 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 GLY A -17 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS A -16 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS A -15 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS A -14 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS A -13 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS A -12 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS A -11 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS A -10 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 ALA A -9 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 MET A -8 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 GLU A -7 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 ASN A -6 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 LEU A -5 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 TYR A -4 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 PHE A -3 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 GLN A -2 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 GLY A -1 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS A 0 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 MET B -18 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 GLY B -17 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS B -16 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS B -15 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS B -14 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS B -13 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS B -12 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS B -11 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS B -10 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 ALA B -9 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 MET B -8 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 GLU B -7 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 ASN B -6 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 LEU B -5 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 TYR B -4 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 PHE B -3 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 GLN B -2 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 GLY B -1 UNP Q9IMM3 EXPRESSION TAG SEQADV 3G80 HIS B 0 UNP Q9IMM3 EXPRESSION TAG SEQRES 1 A 97 MET GLY HIS HIS HIS HIS HIS HIS HIS ALA MET GLU ASN SEQRES 2 A 97 LEU TYR PHE GLN GLY HIS MET THR ASN MET SER CYS ALA SEQRES 3 A 97 TYR GLU LEU ILE LYS SER LEU PRO ALA LYS LEU GLU GLN SEQRES 4 A 97 LEU ALA GLN GLU THR GLN ALA THR ILE GLN THR LEU MET SEQRES 5 A 97 ILE ALA ASP PRO ASN VAL ASN LYS ASP LEU ARG ALA PHE SEQRES 6 A 97 CYS GLU PHE LEU THR VAL GLN HIS GLN ARG ALA TYR ARG SEQRES 7 A 97 ALA THR ASN SER LEU LEU ILE LYS PRO ARG VAL ALA ALA SEQRES 8 A 97 ALA LEU ARG GLY GLU GLU SEQRES 1 B 97 MET GLY HIS HIS HIS HIS HIS HIS HIS ALA MET GLU ASN SEQRES 2 B 97 LEU TYR PHE GLN GLY HIS MET THR ASN MET SER CYS ALA SEQRES 3 B 97 TYR GLU LEU ILE LYS SER LEU PRO ALA LYS LEU GLU GLN SEQRES 4 B 97 LEU ALA GLN GLU THR GLN ALA THR ILE GLN THR LEU MET SEQRES 5 B 97 ILE ALA ASP PRO ASN VAL ASN LYS ASP LEU ARG ALA PHE SEQRES 6 B 97 CYS GLU PHE LEU THR VAL GLN HIS GLN ARG ALA TYR ARG SEQRES 7 B 97 ALA THR ASN SER LEU LEU ILE LYS PRO ARG VAL ALA ALA SEQRES 8 B 97 ALA LEU ARG GLY GLU GLU FORMUL 3 HOH *81(H2 O) HELIX 1 1 CYS A 6 SER A 13 1 8 HELIX 2 2 SER A 13 THR A 31 1 19 HELIX 3 3 ASP A 36 ILE A 66 1 31 HELIX 4 4 LYS A 67 ARG A 75 1 9 HELIX 5 5 CYS B 6 SER B 13 1 8 HELIX 6 6 SER B 13 THR B 31 1 19 HELIX 7 7 ASP B 36 ILE B 66 1 31 HELIX 8 8 LYS B 67 ARG B 75 1 9 CRYST1 32.190 56.600 98.560 90.00 90.00 90.00 P 21 21 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.031066 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017668 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010146 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 13 SER OG : rot -35:sc= -0.168 USER MOD Set 1.2: B 17 LYS NZ :NH3+ -163:sc= 0.755 (180deg=0.61) USER MOD Single : A 6 CYS SG : rot -46:sc= -0.864 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= 0.0107 (180deg=-0.0515) USER MOD Single : A 13 SER OG : rot -52:sc= 0.459 USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 0.549 (180deg=0.53) USER MOD Single : A 20 GLN : amide:sc= 0.0313 X(o=0.031,f=-0.021) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= 0.544 F(o=-0.056,f=0.54) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 31 THR OG1 : rot -64:sc= 0.0126 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.166 F(o=-0.91,f=-0.17) USER MOD Single : A 40 ASN : amide:sc= 0.0529 K(o=0.053,f=-1.5) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= -1.8! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.85 X(o=0.85,f=1.2) USER MOD Single : A 54 HIS :FLIP no HE2:sc= -0.89 F(o=-1.6,f=-0.89) USER MOD Single : A 55 GLN : amide:sc=-0.00809 X(o=-0.0081,f=-0.35) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 130:sc= -0.0465 USER MOD Single : A 62 ASN : amide:sc= 0.133 K(o=0.13,f=-0.99) USER MOD Single : A 63 SER OG : rot 89:sc= 0.608 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 CYS SG : rot 49:sc= 0.296 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : B 23 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 25 THR OG1 : rot 86:sc= 0 USER MOD Single : B 26 GLN :FLIP amide:sc= -1.51 F(o=-5.5!,f=-1.5) USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : B 31 THR OG1 : rot -53:sc= 1.41 USER MOD Single : B 33 MET CE :methyl 156:sc=-0.00868 (180deg=-0.0499) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 ASN : amide:sc= -1.39 K(o=-1.4,f=-4.7!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 CYS SG : rot 180:sc= -1.61 USER MOD Single : B 51 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= 1.44 X(o=1.4,f=1.6) USER MOD Single : B 54 HIS :FLIP no HD1:sc= -1.74 F(o=-2.4!,f=-1.7) USER MOD Single : B 55 GLN : amide:sc= 1.05 K(o=1,f=-0.64) USER MOD Single : B 58 TYR OH : rot 180:sc= 0 USER MOD Single : B 61 THR OG1 : rot 150:sc= -0.0994 USER MOD Single : B 62 ASN : amide:sc= 0.16 X(o=0.16,f=-0.19) USER MOD Single : B 63 SER OG : rot 83:sc= 0.754 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 23.442 4.579 -3.941 1.00 56.41 N ATOM 2 CA SER A 5 24.516 4.669 -2.900 1.00 57.08 C ATOM 3 C SER A 5 25.052 3.276 -2.555 1.00 56.70 C ATOM 4 O SER A 5 25.446 2.521 -3.448 1.00 56.97 O ATOM 5 CB SER A 5 23.963 5.354 -1.639 1.00 57.36 C ATOM 0 HA SER A 5 25.249 5.197 -3.253 1.00 57.08 H new ATOM 6 N CYS A 6 25.085 2.951 -1.262 1.00 56.39 N ATOM 7 CA CYS A 6 25.542 1.638 -0.807 1.00 54.67 C ATOM 8 C CYS A 6 24.732 1.217 0.416 1.00 51.58 C ATOM 9 O CYS A 6 24.265 2.053 1.192 1.00 51.43 O ATOM 10 CB CYS A 6 27.036 1.647 -0.473 1.00 57.14 C ATOM 11 SG CYS A 6 27.482 2.489 1.056 1.00 63.59 S ATOM 0 H CYS A 6 24.845 3.481 -0.629 1.00 56.39 H new ATOM 0 HA CYS A 6 25.407 1.001 -1.526 1.00 54.67 H new ATOM 0 HB2 CYS A 6 27.346 0.729 -0.421 1.00 57.14 H new ATOM 0 HB3 CYS A 6 27.513 2.066 -1.206 1.00 57.14 H new ATOM 0 HG CYS A 6 26.914 3.544 1.113 1.00 63.59 H new ATOM 12 N ALA A 7 24.562 -0.090 0.570 1.00 48.65 N ATOM 13 CA ALA A 7 23.785 -0.657 1.664 1.00 45.78 C ATOM 14 C ALA A 7 24.473 -0.555 3.021 1.00 43.57 C ATOM 15 O ALA A 7 23.808 -0.499 4.058 1.00 43.85 O ATOM 16 CB ALA A 7 23.456 -2.120 1.352 1.00 46.06 C ATOM 0 H ALA A 7 24.897 -0.677 0.039 1.00 48.65 H new ATOM 0 HA ALA A 7 22.973 -0.131 1.732 1.00 45.78 H new ATOM 0 HB1 ALA A 7 22.939 -2.498 2.080 1.00 46.06 H new ATOM 0 HB2 ALA A 7 22.941 -2.168 0.531 1.00 46.06 H new ATOM 0 HB3 ALA A 7 24.279 -2.622 1.247 1.00 46.06 H new ATOM 17 N TYR A 8 25.800 -0.533 3.013 1.00 40.31 N ATOM 18 CA TYR A 8 26.557 -0.444 4.249 1.00 37.72 C ATOM 19 C TYR A 8 26.222 0.822 5.028 1.00 37.35 C ATOM 20 O TYR A 8 26.043 0.787 6.246 1.00 35.88 O ATOM 21 CB TYR A 8 28.054 -0.453 3.958 1.00 35.19 C ATOM 22 CG TYR A 8 28.890 -0.522 5.214 1.00 34.69 C ATOM 23 CD1 TYR A 8 29.082 -1.734 5.874 1.00 33.48 C ATOM 24 CD2 TYR A 8 29.477 0.621 5.755 1.00 33.85 C ATOM 25 CE1 TYR A 8 29.836 -1.810 7.033 1.00 32.10 C ATOM 26 CE2 TYR A 8 30.236 0.553 6.923 1.00 32.64 C ATOM 27 CZ TYR A 8 30.411 -0.668 7.551 1.00 34.04 C ATOM 28 OH TYR A 8 31.181 -0.768 8.688 1.00 36.81 O ATOM 0 H TYR A 8 26.280 -0.569 2.300 1.00 40.31 H new ATOM 0 HA TYR A 8 26.314 -1.215 4.785 1.00 37.72 H new ATOM 0 HB2 TYR A 8 28.265 -1.211 3.391 1.00 35.19 H new ATOM 0 HB3 TYR A 8 28.288 0.347 3.461 1.00 35.19 H new ATOM 0 HD1 TYR A 8 28.696 -2.507 5.529 1.00 33.48 H new ATOM 0 HD2 TYR A 8 29.361 1.440 5.331 1.00 33.85 H new ATOM 0 HE1 TYR A 8 29.954 -2.627 7.460 1.00 32.10 H new ATOM 0 HE2 TYR A 8 30.621 1.322 7.277 1.00 32.64 H new ATOM 0 HH TYR A 8 31.471 -0.008 8.898 1.00 36.81 H new ATOM 29 N GLU A 9 26.145 1.938 4.310 1.00 37.56 N ATOM 30 CA GLU A 9 25.865 3.229 4.923 1.00 38.49 C ATOM 31 C GLU A 9 24.410 3.424 5.301 1.00 37.29 C ATOM 32 O GLU A 9 24.096 4.222 6.176 1.00 36.51 O ATOM 33 CB GLU A 9 26.296 4.360 3.989 1.00 41.60 C ATOM 34 CG GLU A 9 27.270 5.328 4.636 1.00 46.12 C ATOM 35 CD GLU A 9 28.645 4.723 4.851 1.00 48.05 C ATOM 36 OE1 GLU A 9 29.313 5.097 5.839 1.00 49.17 O ATOM 37 OE2 GLU A 9 29.067 3.887 4.025 1.00 49.58 O ATOM 0 H GLU A 9 26.253 1.967 3.457 1.00 37.56 H new ATOM 0 HA GLU A 9 26.376 3.248 5.747 1.00 38.49 H new ATOM 0 HB2 GLU A 9 26.705 3.979 3.196 1.00 41.60 H new ATOM 0 HB3 GLU A 9 25.510 4.848 3.696 1.00 41.60 H new ATOM 0 HG2 GLU A 9 27.352 6.118 4.079 1.00 46.12 H new ATOM 0 HG3 GLU A 9 26.912 5.618 5.489 1.00 46.12 H new ATOM 38 N LEU A 10 23.521 2.704 4.632 1.00 36.17 N ATOM 39 CA LEU A 10 22.105 2.820 4.930 1.00 34.25 C ATOM 40 C LEU A 10 21.864 2.213 6.298 1.00 32.63 C ATOM 41 O LEU A 10 21.276 2.838 7.173 1.00 32.57 O ATOM 42 CB LEU A 10 21.278 2.059 3.898 1.00 35.52 C ATOM 43 CG LEU A 10 19.951 2.692 3.475 1.00 36.33 C ATOM 44 CD1 LEU A 10 19.069 1.619 2.850 1.00 38.08 C ATOM 45 CD2 LEU A 10 19.250 3.305 4.672 1.00 38.29 C ATOM 0 H LEU A 10 23.716 2.147 4.007 1.00 36.17 H new ATOM 0 HA LEU A 10 21.843 3.754 4.910 1.00 34.25 H new ATOM 0 HB2 LEU A 10 21.822 1.938 3.104 1.00 35.52 H new ATOM 0 HB3 LEU A 10 21.092 1.175 4.252 1.00 35.52 H new ATOM 0 HG LEU A 10 20.122 3.395 2.829 1.00 36.33 H new ATOM 0 HD11 LEU A 10 18.225 2.012 2.579 1.00 38.08 H new ATOM 0 HD12 LEU A 10 19.515 1.244 2.074 1.00 38.08 H new ATOM 0 HD13 LEU A 10 18.905 0.917 3.499 1.00 38.08 H new ATOM 0 HD21 LEU A 10 18.412 3.702 4.388 1.00 38.29 H new ATOM 0 HD22 LEU A 10 19.074 2.616 5.332 1.00 38.29 H new ATOM 0 HD23 LEU A 10 19.815 3.990 5.063 1.00 38.29 H new ATOM 46 N ILE A 11 22.343 0.983 6.457 1.00 31.22 N ATOM 47 CA ILE A 11 22.214 0.209 7.685 1.00 28.52 C ATOM 48 C ILE A 11 22.960 0.841 8.854 1.00 28.43 C ATOM 49 O ILE A 11 22.459 0.891 9.975 1.00 27.54 O ATOM 50 CB ILE A 11 22.742 -1.223 7.456 1.00 25.67 C ATOM 51 CG1 ILE A 11 21.795 -1.952 6.503 1.00 25.35 C ATOM 52 CG2 ILE A 11 22.919 -1.953 8.782 1.00 22.60 C ATOM 53 CD1 ILE A 11 22.213 -3.353 6.147 1.00 24.08 C ATOM 0 H ILE A 11 22.764 0.565 5.835 1.00 31.22 H new ATOM 0 HA ILE A 11 21.272 0.191 7.914 1.00 28.52 H new ATOM 0 HB ILE A 11 23.620 -1.194 7.046 1.00 25.67 H new ATOM 0 HG12 ILE A 11 20.913 -1.984 6.905 1.00 25.35 H new ATOM 0 HG13 ILE A 11 21.716 -1.434 5.687 1.00 25.35 H new ATOM 0 HG21 ILE A 11 23.251 -2.849 8.616 1.00 22.60 H new ATOM 0 HG22 ILE A 11 23.553 -1.471 9.335 1.00 22.60 H new ATOM 0 HG23 ILE A 11 22.065 -2.004 9.240 1.00 22.60 H new ATOM 0 HD11 ILE A 11 21.562 -3.741 5.542 1.00 24.08 H new ATOM 0 HD12 ILE A 11 23.082 -3.332 5.716 1.00 24.08 H new ATOM 0 HD13 ILE A 11 22.266 -3.890 6.953 1.00 24.08 H new ATOM 54 N LYS A 12 24.160 1.325 8.583 1.00 27.47 N ATOM 55 CA LYS A 12 24.971 1.934 9.619 1.00 28.24 C ATOM 56 C LYS A 12 24.353 3.226 10.144 1.00 27.89 C ATOM 57 O LYS A 12 24.587 3.609 11.292 1.00 28.07 O ATOM 58 CB LYS A 12 26.367 2.190 9.064 1.00 28.57 C ATOM 59 CG LYS A 12 27.289 2.959 9.966 1.00 32.60 C ATOM 60 CD LYS A 12 28.719 2.785 9.495 1.00 33.73 C ATOM 61 CE LYS A 12 29.580 3.961 9.897 1.00 36.62 C ATOM 62 NZ LYS A 12 29.276 5.165 9.070 1.00 40.07 N ATOM 0 H LYS A 12 24.524 1.310 7.804 1.00 27.47 H new ATOM 0 HA LYS A 12 25.021 1.324 10.372 1.00 28.24 H new ATOM 0 HB2 LYS A 12 26.778 1.336 8.859 1.00 28.57 H new ATOM 0 HB3 LYS A 12 26.282 2.672 8.227 1.00 28.57 H new ATOM 0 HG2 LYS A 12 27.050 3.899 9.964 1.00 32.60 H new ATOM 0 HG3 LYS A 12 27.199 2.646 10.880 1.00 32.60 H new ATOM 0 HD2 LYS A 12 29.087 1.969 9.869 1.00 33.73 H new ATOM 0 HD3 LYS A 12 28.734 2.686 8.530 1.00 33.73 H new ATOM 0 HE2 LYS A 12 29.435 4.165 10.834 1.00 36.62 H new ATOM 0 HE3 LYS A 12 30.516 3.727 9.799 1.00 36.62 H new ATOM 0 HZ1 LYS A 12 29.926 5.765 9.168 1.00 40.07 H new ATOM 0 HZ2 LYS A 12 29.217 4.930 8.214 1.00 40.07 H new ATOM 0 HZ3 LYS A 12 28.504 5.520 9.334 1.00 40.07 H new ATOM 63 N SER A 13 23.553 3.881 9.307 1.00 26.36 N ATOM 64 CA SER A 13 22.915 5.137 9.675 1.00 26.39 C ATOM 65 C SER A 13 21.557 4.926 10.336 1.00 26.18 C ATOM 66 O SER A 13 20.917 5.875 10.777 1.00 26.46 O ATOM 67 CB SER A 13 22.733 6.020 8.437 1.00 26.82 C ATOM 68 OG SER A 13 21.545 5.687 7.736 1.00 28.37 O ATOM 0 H SER A 13 23.366 3.609 8.513 1.00 26.36 H new ATOM 0 HA SER A 13 23.499 5.571 10.317 1.00 26.39 H new ATOM 0 HB2 SER A 13 22.703 6.952 8.704 1.00 26.82 H new ATOM 0 HB3 SER A 13 23.498 5.918 7.849 1.00 26.82 H new ATOM 0 HG SER A 13 21.528 4.860 7.589 1.00 28.37 H new ATOM 69 N LEU A 14 21.128 3.674 10.397 1.00 26.87 N ATOM 70 CA LEU A 14 19.849 3.318 10.988 1.00 27.22 C ATOM 71 C LEU A 14 19.714 3.641 12.484 1.00 25.91 C ATOM 72 O LEU A 14 18.665 4.120 12.919 1.00 24.30 O ATOM 73 CB LEU A 14 19.565 1.832 10.728 1.00 28.68 C ATOM 74 CG LEU A 14 18.347 1.619 9.826 1.00 31.63 C ATOM 75 CD1 LEU A 14 18.440 0.302 9.090 1.00 32.05 C ATOM 76 CD2 LEU A 14 17.091 1.706 10.672 1.00 31.92 C ATOM 0 H LEU A 14 21.574 3.003 10.095 1.00 26.87 H new ATOM 0 HA LEU A 14 19.186 3.878 10.554 1.00 27.22 H new ATOM 0 HB2 LEU A 14 20.343 1.424 10.318 1.00 28.68 H new ATOM 0 HB3 LEU A 14 19.421 1.380 11.574 1.00 28.68 H new ATOM 0 HG LEU A 14 18.317 2.312 9.148 1.00 31.63 H new ATOM 0 HD11 LEU A 14 17.659 0.190 8.526 1.00 32.05 H new ATOM 0 HD12 LEU A 14 19.239 0.294 8.540 1.00 32.05 H new ATOM 0 HD13 LEU A 14 18.482 -0.425 9.731 1.00 32.05 H new ATOM 0 HD21 LEU A 14 16.312 1.572 10.110 1.00 31.92 H new ATOM 0 HD22 LEU A 14 17.115 1.021 11.359 1.00 31.92 H new ATOM 0 HD23 LEU A 14 17.042 2.580 11.089 1.00 31.92 H new ATOM 77 N PRO A 15 20.769 3.391 13.288 1.00 24.45 N ATOM 78 CA PRO A 15 20.680 3.687 14.723 1.00 23.28 C ATOM 79 C PRO A 15 20.478 5.166 15.023 1.00 22.43 C ATOM 80 O PRO A 15 19.647 5.532 15.844 1.00 21.96 O ATOM 81 CB PRO A 15 22.005 3.161 15.268 1.00 23.08 C ATOM 82 CG PRO A 15 22.296 2.008 14.362 1.00 23.44 C ATOM 83 CD PRO A 15 21.971 2.589 13.001 1.00 22.91 C ATOM 0 HA PRO A 15 19.905 3.273 15.135 1.00 23.28 H new ATOM 0 HB2 PRO A 15 22.703 3.834 15.231 1.00 23.08 H new ATOM 0 HB3 PRO A 15 21.929 2.882 16.194 1.00 23.08 H new ATOM 0 HG2 PRO A 15 23.221 1.722 14.424 1.00 23.44 H new ATOM 0 HG3 PRO A 15 21.746 1.236 14.568 1.00 23.44 H new ATOM 0 HD2 PRO A 15 22.696 3.133 12.656 1.00 22.91 H new ATOM 0 HD3 PRO A 15 21.797 1.898 12.343 1.00 22.91 H new ATOM 84 N ALA A 16 21.244 6.014 14.351 1.00 23.38 N ATOM 85 CA ALA A 16 21.133 7.453 14.550 1.00 23.85 C ATOM 86 C ALA A 16 19.735 7.957 14.162 1.00 24.16 C ATOM 87 O ALA A 16 19.209 8.891 14.773 1.00 22.43 O ATOM 88 CB ALA A 16 22.202 8.176 13.737 1.00 23.57 C ATOM 0 H ALA A 16 21.836 5.777 13.774 1.00 23.38 H new ATOM 0 HA ALA A 16 21.269 7.642 15.492 1.00 23.85 H new ATOM 0 HB1 ALA A 16 22.122 9.133 13.875 1.00 23.57 H new ATOM 0 HB2 ALA A 16 23.081 7.881 14.023 1.00 23.57 H new ATOM 0 HB3 ALA A 16 22.084 7.974 12.796 1.00 23.57 H new ATOM 89 N LYS A 17 19.141 7.339 13.146 1.00 23.79 N ATOM 90 CA LYS A 17 17.804 7.726 12.708 1.00 25.37 C ATOM 91 C LYS A 17 16.771 7.409 13.782 1.00 25.44 C ATOM 92 O LYS A 17 15.820 8.164 13.984 1.00 26.86 O ATOM 93 CB LYS A 17 17.430 7.007 11.410 1.00 25.04 C ATOM 94 CG LYS A 17 18.072 7.592 10.181 1.00 23.80 C ATOM 95 CD LYS A 17 17.709 6.779 8.959 1.00 27.82 C ATOM 96 CE LYS A 17 18.483 7.243 7.734 1.00 29.15 C ATOM 97 NZ LYS A 17 18.122 6.434 6.544 1.00 29.90 N ATOM 0 H LYS A 17 19.494 6.695 12.698 1.00 23.79 H new ATOM 0 HA LYS A 17 17.810 8.683 12.549 1.00 25.37 H new ATOM 0 HB2 LYS A 17 17.684 6.074 11.483 1.00 25.04 H new ATOM 0 HB3 LYS A 17 16.466 7.032 11.303 1.00 25.04 H new ATOM 0 HG2 LYS A 17 17.782 8.510 10.064 1.00 23.80 H new ATOM 0 HG3 LYS A 17 19.036 7.610 10.290 1.00 23.80 H new ATOM 0 HD2 LYS A 17 17.895 5.842 9.125 1.00 27.82 H new ATOM 0 HD3 LYS A 17 16.757 6.854 8.790 1.00 27.82 H new ATOM 0 HE2 LYS A 17 18.295 8.179 7.563 1.00 29.15 H new ATOM 0 HE3 LYS A 17 19.436 7.171 7.902 1.00 29.15 H new ATOM 0 HZ1 LYS A 17 18.645 6.661 5.861 1.00 29.90 H new ATOM 0 HZ2 LYS A 17 18.232 5.570 6.728 1.00 29.90 H new ATOM 0 HZ3 LYS A 17 17.272 6.585 6.329 1.00 29.90 H new ATOM 98 N LEU A 18 16.962 6.287 14.465 1.00 25.04 N ATOM 99 CA LEU A 18 16.060 5.885 15.525 1.00 24.89 C ATOM 100 C LEU A 18 16.295 6.755 16.748 1.00 25.83 C ATOM 101 O LEU A 18 15.374 7.022 17.522 1.00 24.42 O ATOM 102 CB LEU A 18 16.293 4.425 15.877 1.00 24.57 C ATOM 103 CG LEU A 18 15.626 3.443 14.927 1.00 25.22 C ATOM 104 CD1 LEU A 18 16.170 2.054 15.110 1.00 29.46 C ATOM 105 CD2 LEU A 18 14.145 3.477 15.205 1.00 23.53 C ATOM 0 H LEU A 18 17.614 5.744 14.326 1.00 25.04 H new ATOM 0 HA LEU A 18 15.144 5.994 15.225 1.00 24.89 H new ATOM 0 HB2 LEU A 18 17.248 4.253 15.887 1.00 24.57 H new ATOM 0 HB3 LEU A 18 15.966 4.263 16.776 1.00 24.57 H new ATOM 0 HG LEU A 18 15.806 3.696 14.008 1.00 25.22 H new ATOM 0 HD11 LEU A 18 15.728 1.449 14.493 1.00 29.46 H new ATOM 0 HD12 LEU A 18 17.124 2.054 14.935 1.00 29.46 H new ATOM 0 HD13 LEU A 18 16.009 1.761 16.021 1.00 29.46 H new ATOM 0 HD21 LEU A 18 13.690 2.858 14.612 1.00 23.53 H new ATOM 0 HD22 LEU A 18 13.982 3.220 16.126 1.00 23.53 H new ATOM 0 HD23 LEU A 18 13.808 4.374 15.056 1.00 23.53 H new ATOM 106 N GLU A 19 17.538 7.188 16.924 1.00 26.70 N ATOM 107 CA GLU A 19 17.884 8.032 18.054 1.00 28.98 C ATOM 108 C GLU A 19 17.218 9.380 17.858 1.00 29.75 C ATOM 109 O GLU A 19 16.706 9.973 18.799 1.00 30.12 O ATOM 110 CB GLU A 19 19.400 8.196 18.142 1.00 31.95 C ATOM 111 CG GLU A 19 19.880 9.230 19.158 1.00 36.32 C ATOM 112 CD GLU A 19 21.392 9.221 19.319 1.00 40.09 C ATOM 113 OE1 GLU A 19 22.113 9.223 18.287 1.00 40.40 O ATOM 114 OE2 GLU A 19 21.859 9.212 20.478 1.00 39.95 O ATOM 0 H GLU A 19 18.194 7.003 16.399 1.00 26.70 H new ATOM 0 HA GLU A 19 17.577 7.628 18.881 1.00 28.98 H new ATOM 0 HB2 GLU A 19 19.792 7.337 18.365 1.00 31.95 H new ATOM 0 HB3 GLU A 19 19.736 8.443 17.266 1.00 31.95 H new ATOM 0 HG2 GLU A 19 19.592 10.113 18.879 1.00 36.32 H new ATOM 0 HG3 GLU A 19 19.464 9.054 20.017 1.00 36.32 H new ATOM 115 N GLN A 20 17.215 9.849 16.619 1.00 30.97 N ATOM 116 CA GLN A 20 16.607 11.123 16.297 1.00 32.49 C ATOM 117 C GLN A 20 15.125 11.087 16.657 1.00 31.86 C ATOM 118 O GLN A 20 14.625 11.980 17.338 1.00 32.45 O ATOM 119 CB GLN A 20 16.782 11.429 14.809 1.00 35.37 C ATOM 120 CG GLN A 20 16.467 12.867 14.446 1.00 43.00 C ATOM 121 CD GLN A 20 16.607 13.149 12.957 1.00 48.99 C ATOM 122 OE1 GLN A 20 17.627 12.816 12.339 1.00 51.60 O ATOM 123 NE2 GLN A 20 15.583 13.773 12.373 1.00 50.56 N ATOM 0 H GLN A 20 17.563 9.439 15.948 1.00 30.97 H new ATOM 0 HA GLN A 20 17.042 11.823 16.809 1.00 32.49 H new ATOM 0 HB2 GLN A 20 17.696 11.230 14.551 1.00 35.37 H new ATOM 0 HB3 GLN A 20 16.208 10.840 14.295 1.00 35.37 H new ATOM 0 HG2 GLN A 20 15.562 13.075 14.726 1.00 43.00 H new ATOM 0 HG3 GLN A 20 17.059 13.457 14.939 1.00 43.00 H new ATOM 0 HE21 GLN A 20 14.891 13.989 12.835 1.00 50.56 H new ATOM 0 HE22 GLN A 20 15.615 13.960 11.534 1.00 50.56 H new ATOM 124 N LEU A 21 14.428 10.053 16.199 1.00 30.23 N ATOM 125 CA LEU A 21 13.010 9.910 16.494 1.00 30.44 C ATOM 126 C LEU A 21 12.760 9.951 17.999 1.00 30.90 C ATOM 127 O LEU A 21 11.908 10.700 18.468 1.00 30.42 O ATOM 128 CB LEU A 21 12.478 8.602 15.908 1.00 30.85 C ATOM 129 CG LEU A 21 12.402 8.572 14.379 1.00 31.94 C ATOM 130 CD1 LEU A 21 12.124 7.168 13.907 1.00 31.67 C ATOM 131 CD2 LEU A 21 11.323 9.519 13.899 1.00 29.49 C ATOM 0 H LEU A 21 14.759 9.423 15.715 1.00 30.23 H new ATOM 0 HA LEU A 21 12.539 10.654 16.087 1.00 30.44 H new ATOM 0 HB2 LEU A 21 13.045 7.874 16.206 1.00 30.85 H new ATOM 0 HB3 LEU A 21 11.592 8.437 16.267 1.00 30.85 H new ATOM 0 HG LEU A 21 13.252 8.859 14.010 1.00 31.94 H new ATOM 0 HD11 LEU A 21 12.077 7.155 12.938 1.00 31.67 H new ATOM 0 HD12 LEU A 21 12.836 6.580 14.203 1.00 31.67 H new ATOM 0 HD13 LEU A 21 11.280 6.864 14.275 1.00 31.67 H new ATOM 0 HD21 LEU A 21 11.279 9.496 12.930 1.00 29.49 H new ATOM 0 HD22 LEU A 21 10.467 9.248 14.267 1.00 29.49 H new ATOM 0 HD23 LEU A 21 11.530 10.420 14.191 1.00 29.49 H new ATOM 132 N ALA A 22 13.512 9.157 18.754 1.00 30.53 N ATOM 133 CA ALA A 22 13.366 9.123 20.202 1.00 30.38 C ATOM 134 C ALA A 22 13.504 10.508 20.842 1.00 31.03 C ATOM 135 O ALA A 22 12.772 10.846 21.765 1.00 30.91 O ATOM 136 CB ALA A 22 14.390 8.180 20.800 1.00 30.22 C ATOM 0 H ALA A 22 14.115 8.628 18.444 1.00 30.53 H new ATOM 0 HA ALA A 22 12.469 8.807 20.391 1.00 30.38 H new ATOM 0 HB1 ALA A 22 14.288 8.161 21.764 1.00 30.22 H new ATOM 0 HB2 ALA A 22 14.256 7.288 20.444 1.00 30.22 H new ATOM 0 HB3 ALA A 22 15.282 8.486 20.575 1.00 30.22 H new ATOM 137 N GLN A 23 14.439 11.316 20.361 1.00 31.67 N ATOM 138 CA GLN A 23 14.621 12.637 20.944 1.00 34.38 C ATOM 139 C GLN A 23 13.519 13.615 20.526 1.00 35.12 C ATOM 140 O GLN A 23 13.073 14.438 21.332 1.00 32.57 O ATOM 141 CB GLN A 23 16.013 13.159 20.589 1.00 36.60 C ATOM 142 CG GLN A 23 17.107 12.262 21.169 1.00 40.81 C ATOM 143 CD GLN A 23 18.505 12.616 20.695 1.00 44.04 C ATOM 144 OE1 GLN A 23 18.737 12.810 19.500 1.00 47.11 O ATOM 145 NE2 GLN A 23 19.451 12.682 21.630 1.00 44.26 N ATOM 0 H GLN A 23 14.969 11.125 19.711 1.00 31.67 H new ATOM 0 HA GLN A 23 14.551 12.560 21.908 1.00 34.38 H new ATOM 0 HB2 GLN A 23 16.107 13.205 19.625 1.00 36.60 H new ATOM 0 HB3 GLN A 23 16.118 14.062 20.928 1.00 36.60 H new ATOM 0 HG2 GLN A 23 17.079 12.317 22.137 1.00 40.81 H new ATOM 0 HG3 GLN A 23 16.918 11.341 20.932 1.00 40.81 H new ATOM 0 HE21 GLN A 23 19.251 12.541 22.454 1.00 44.26 H new ATOM 0 HE22 GLN A 23 20.262 12.866 21.409 1.00 44.26 H new ATOM 146 N GLU A 24 13.064 13.502 19.280 1.00 35.10 N ATOM 147 CA GLU A 24 11.998 14.361 18.763 1.00 35.06 C ATOM 148 C GLU A 24 10.740 14.218 19.613 1.00 33.29 C ATOM 149 O GLU A 24 10.180 15.205 20.080 1.00 32.84 O ATOM 150 CB GLU A 24 11.643 13.981 17.323 1.00 38.79 C ATOM 151 CG GLU A 24 12.714 14.259 16.278 1.00 47.92 C ATOM 152 CD GLU A 24 12.325 13.731 14.895 1.00 52.08 C ATOM 153 OE1 GLU A 24 11.155 13.934 14.495 1.00 54.72 O ATOM 154 OE2 GLU A 24 13.181 13.122 14.208 1.00 53.14 O ATOM 0 H GLU A 24 13.362 12.929 18.712 1.00 35.10 H new ATOM 0 HA GLU A 24 12.321 15.275 18.792 1.00 35.06 H new ATOM 0 HB2 GLU A 24 11.431 13.035 17.300 1.00 38.79 H new ATOM 0 HB3 GLU A 24 10.837 14.459 17.070 1.00 38.79 H new ATOM 0 HG2 GLU A 24 12.871 15.215 16.225 1.00 47.92 H new ATOM 0 HG3 GLU A 24 13.548 13.849 16.556 1.00 47.92 H new ATOM 155 N THR A 25 10.300 12.978 19.801 1.00 31.46 N ATOM 156 CA THR A 25 9.098 12.699 20.575 1.00 29.91 C ATOM 157 C THR A 25 9.275 12.944 22.069 1.00 28.74 C ATOM 158 O THR A 25 8.355 13.413 22.736 1.00 26.88 O ATOM 159 CB THR A 25 8.566 11.253 20.290 1.00 30.05 C ATOM 160 OG1 THR A 25 7.756 10.797 21.382 1.00 30.95 O ATOM 161 CG2 THR A 25 9.696 10.307 20.053 1.00 28.62 C ATOM 0 H THR A 25 10.688 12.279 19.485 1.00 31.46 H new ATOM 0 HA THR A 25 8.428 13.334 20.278 1.00 29.91 H new ATOM 0 HB THR A 25 8.022 11.283 19.487 1.00 30.05 H new ATOM 0 HG1 THR A 25 7.475 10.022 21.218 1.00 30.95 H new ATOM 0 HG21 THR A 25 9.344 9.420 19.879 1.00 28.62 H new ATOM 0 HG22 THR A 25 10.213 10.605 19.288 1.00 28.62 H new ATOM 0 HG23 THR A 25 10.266 10.280 20.837 1.00 28.62 H new ATOM 162 N GLN A 26 10.453 12.651 22.599 1.00 30.00 N ATOM 163 CA GLN A 26 10.692 12.910 24.009 1.00 32.72 C ATOM 164 C GLN A 26 10.652 14.418 24.229 1.00 32.63 C ATOM 165 O GLN A 26 9.968 14.903 25.124 1.00 31.98 O ATOM 166 CB GLN A 26 12.049 12.355 24.438 1.00 35.98 C ATOM 167 CG GLN A 26 12.111 10.833 24.437 1.00 42.41 C ATOM 168 CD GLN A 26 13.479 10.290 24.827 1.00 46.17 C ATOM 169 OE1 GLN A 26 13.516 9.501 25.900 1.00 47.30 O flip ATOM 170 NE2 GLN A 26 14.489 10.573 24.173 1.00 48.88 N flip ATOM 0 H GLN A 26 11.115 12.309 22.170 1.00 30.00 H new ATOM 0 HA GLN A 26 10.010 12.472 24.542 1.00 32.72 H new ATOM 0 HB2 GLN A 26 12.734 12.700 23.844 1.00 35.98 H new ATOM 0 HB3 GLN A 26 12.256 12.679 25.328 1.00 35.98 H new ATOM 0 HG2 GLN A 26 11.445 10.487 25.051 1.00 42.41 H new ATOM 0 HG3 GLN A 26 11.879 10.506 23.554 1.00 42.41 H new ATOM 0 HE21 GLN A 26 14.426 11.086 23.486 1.00 48.88 H new ATOM 0 HE22 GLN A 26 15.254 10.257 24.405 1.00 48.88 H new ATOM 171 N ALA A 27 11.369 15.159 23.390 1.00 33.85 N ATOM 172 CA ALA A 27 11.413 16.613 23.508 1.00 35.59 C ATOM 173 C ALA A 27 10.027 17.219 23.392 1.00 36.42 C ATOM 174 O ALA A 27 9.667 18.116 24.155 1.00 36.38 O ATOM 175 CB ALA A 27 12.328 17.212 22.447 1.00 33.63 C ATOM 0 H ALA A 27 11.838 14.839 22.744 1.00 33.85 H new ATOM 0 HA ALA A 27 11.766 16.823 24.387 1.00 35.59 H new ATOM 0 HB1 ALA A 27 12.344 18.177 22.541 1.00 33.63 H new ATOM 0 HB2 ALA A 27 13.226 16.861 22.558 1.00 33.63 H new ATOM 0 HB3 ALA A 27 11.997 16.979 21.565 1.00 33.63 H new ATOM 176 N THR A 28 9.250 16.734 22.433 1.00 37.27 N ATOM 177 CA THR A 28 7.912 17.250 22.250 1.00 37.74 C ATOM 178 C THR A 28 7.044 16.862 23.446 1.00 38.95 C ATOM 179 O THR A 28 6.291 17.684 23.963 1.00 40.96 O ATOM 180 CB THR A 28 7.289 16.731 20.943 1.00 37.36 C ATOM 181 OG1 THR A 28 5.928 17.162 20.854 1.00 39.52 O ATOM 182 CG2 THR A 28 7.318 15.241 20.902 1.00 40.41 C ATOM 0 H THR A 28 9.479 16.112 21.885 1.00 37.27 H new ATOM 0 HA THR A 28 7.961 18.217 22.189 1.00 37.74 H new ATOM 0 HB THR A 28 7.804 17.083 20.200 1.00 37.36 H new ATOM 0 HG1 THR A 28 5.590 16.879 20.139 1.00 39.52 H new ATOM 0 HG21 THR A 28 6.922 14.932 20.072 1.00 40.41 H new ATOM 0 HG22 THR A 28 8.236 14.933 20.955 1.00 40.41 H new ATOM 0 HG23 THR A 28 6.815 14.887 21.652 1.00 40.41 H new ATOM 183 N ILE A 29 7.153 15.621 23.904 1.00 38.88 N ATOM 184 CA ILE A 29 6.356 15.199 25.049 1.00 39.58 C ATOM 185 C ILE A 29 6.659 16.082 26.248 1.00 41.46 C ATOM 186 O ILE A 29 5.827 16.245 27.136 1.00 43.97 O ATOM 187 CB ILE A 29 6.635 13.729 25.426 1.00 38.10 C ATOM 188 CG1 ILE A 29 5.873 12.802 24.479 1.00 36.18 C ATOM 189 CG2 ILE A 29 6.226 13.460 26.869 1.00 36.90 C ATOM 190 CD1 ILE A 29 6.185 11.346 24.685 1.00 34.26 C ATOM 0 H ILE A 29 7.671 15.019 23.575 1.00 38.88 H new ATOM 0 HA ILE A 29 5.422 15.282 24.799 1.00 39.58 H new ATOM 0 HB ILE A 29 7.586 13.559 25.343 1.00 38.10 H new ATOM 0 HG12 ILE A 29 4.921 12.941 24.599 1.00 36.18 H new ATOM 0 HG13 ILE A 29 6.082 13.044 23.563 1.00 36.18 H new ATOM 0 HG21 ILE A 29 6.408 12.533 27.090 1.00 36.90 H new ATOM 0 HG22 ILE A 29 6.731 14.038 27.462 1.00 36.90 H new ATOM 0 HG23 ILE A 29 5.278 13.637 26.975 1.00 36.90 H new ATOM 0 HD11 ILE A 29 5.673 10.813 24.057 1.00 34.26 H new ATOM 0 HD12 ILE A 29 7.132 11.194 24.540 1.00 34.26 H new ATOM 0 HD13 ILE A 29 5.952 11.090 25.591 1.00 34.26 H new ATOM 191 N GLN A 30 7.853 16.660 26.268 1.00 42.52 N ATOM 192 CA GLN A 30 8.255 17.517 27.371 1.00 42.03 C ATOM 193 C GLN A 30 7.592 18.886 27.359 1.00 42.10 C ATOM 194 O GLN A 30 7.405 19.487 28.418 1.00 44.38 O ATOM 195 CB GLN A 30 9.771 17.696 27.377 1.00 43.94 C ATOM 196 CG GLN A 30 10.542 16.437 27.696 1.00 45.83 C ATOM 197 CD GLN A 30 12.016 16.708 27.897 1.00 47.06 C ATOM 198 OE1 GLN A 30 12.694 17.214 27.002 1.00 48.24 O ATOM 199 NE2 GLN A 30 12.522 16.374 29.079 1.00 46.67 N ATOM 0 H GLN A 30 8.445 16.568 25.651 1.00 42.52 H new ATOM 0 HA GLN A 30 7.959 17.065 28.177 1.00 42.03 H new ATOM 0 HB2 GLN A 30 10.051 18.023 26.508 1.00 43.94 H new ATOM 0 HB3 GLN A 30 10.003 18.379 28.026 1.00 43.94 H new ATOM 0 HG2 GLN A 30 10.177 16.030 28.497 1.00 45.83 H new ATOM 0 HG3 GLN A 30 10.427 15.798 26.976 1.00 45.83 H new ATOM 0 HE21 GLN A 30 12.016 16.022 29.679 1.00 46.67 H new ATOM 0 HE22 GLN A 30 13.355 16.509 29.244 1.00 46.67 H new ATOM 200 N THR A 31 7.238 19.383 26.175 1.00 40.34 N ATOM 201 CA THR A 31 6.607 20.697 26.076 1.00 38.93 C ATOM 202 C THR A 31 5.153 20.625 26.501 1.00 38.62 C ATOM 203 O THR A 31 4.364 21.525 26.205 1.00 37.90 O ATOM 204 CB THR A 31 6.619 21.241 24.647 1.00 38.77 C ATOM 205 OG1 THR A 31 5.476 20.740 23.939 1.00 36.59 O ATOM 206 CG2 THR A 31 7.891 20.824 23.933 1.00 38.07 C ATOM 0 H THR A 31 7.353 18.980 25.424 1.00 40.34 H new ATOM 0 HA THR A 31 7.120 21.281 26.656 1.00 38.93 H new ATOM 0 HB THR A 31 6.585 22.210 24.676 1.00 38.77 H new ATOM 0 HG1 THR A 31 5.534 19.905 23.868 1.00 36.59 H new ATOM 0 HG21 THR A 31 7.885 21.176 23.029 1.00 38.07 H new ATOM 0 HG22 THR A 31 8.660 21.174 24.410 1.00 38.07 H new ATOM 0 HG23 THR A 31 7.943 19.856 23.903 1.00 38.07 H new ATOM 207 N LEU A 32 4.796 19.550 27.191 1.00 37.48 N ATOM 208 CA LEU A 32 3.423 19.372 27.631 1.00 37.63 C ATOM 209 C LEU A 32 3.216 19.706 29.097 1.00 36.84 C ATOM 210 O LEU A 32 4.113 19.531 29.925 1.00 39.16 O ATOM 211 CB LEU A 32 2.972 17.934 27.375 1.00 36.89 C ATOM 212 CG LEU A 32 2.974 17.521 25.904 1.00 37.01 C ATOM 213 CD1 LEU A 32 2.603 16.058 25.787 1.00 37.07 C ATOM 214 CD2 LEU A 32 1.996 18.382 25.130 1.00 36.60 C ATOM 0 H LEU A 32 5.332 18.915 27.413 1.00 37.48 H new ATOM 0 HA LEU A 32 2.888 19.995 27.115 1.00 37.63 H new ATOM 0 HB2 LEU A 32 3.551 17.333 27.869 1.00 36.89 H new ATOM 0 HB3 LEU A 32 2.076 17.820 27.730 1.00 36.89 H new ATOM 0 HG LEU A 32 3.860 17.648 25.531 1.00 37.01 H new ATOM 0 HD11 LEU A 32 2.605 15.797 24.853 1.00 37.07 H new ATOM 0 HD12 LEU A 32 3.248 15.521 26.273 1.00 37.07 H new ATOM 0 HD13 LEU A 32 1.719 15.917 26.160 1.00 37.07 H new ATOM 0 HD21 LEU A 32 2.000 18.117 24.197 1.00 36.60 H new ATOM 0 HD22 LEU A 32 1.105 18.267 25.495 1.00 36.60 H new ATOM 0 HD23 LEU A 32 2.257 19.313 25.202 1.00 36.60 H new ATOM 215 N MET A 33 2.024 20.197 29.403 1.00 33.54 N ATOM 216 CA MET A 33 1.666 20.527 30.764 1.00 30.77 C ATOM 217 C MET A 33 0.575 19.531 31.140 1.00 29.32 C ATOM 218 O MET A 33 -0.610 19.808 31.032 1.00 28.89 O ATOM 219 CB MET A 33 1.160 21.964 30.829 1.00 29.88 C ATOM 220 CG MET A 33 2.195 22.968 30.370 1.00 29.21 C ATOM 221 SD MET A 33 1.505 24.568 29.885 1.00 30.82 S ATOM 222 CE MET A 33 1.844 25.499 31.314 1.00 29.13 C ATOM 0 H MET A 33 1.404 20.347 28.826 1.00 33.54 H new ATOM 0 HA MET A 33 2.416 20.470 31.376 1.00 30.77 H new ATOM 0 HB2 MET A 33 0.366 22.049 30.278 1.00 29.88 H new ATOM 0 HB3 MET A 33 0.897 22.170 31.740 1.00 29.88 H new ATOM 0 HG2 MET A 33 2.837 23.106 31.084 1.00 29.21 H new ATOM 0 HG3 MET A 33 2.682 22.595 29.619 1.00 29.21 H new ATOM 0 HE1 MET A 33 1.520 26.405 31.194 1.00 29.13 H new ATOM 0 HE2 MET A 33 1.400 25.096 32.076 1.00 29.13 H new ATOM 0 HE3 MET A 33 2.801 25.516 31.470 1.00 29.13 H new ATOM 223 N ILE A 34 0.999 18.347 31.555 1.00 28.30 N ATOM 224 CA ILE A 34 0.074 17.292 31.939 1.00 28.09 C ATOM 225 C ILE A 34 -0.030 17.171 33.456 1.00 27.39 C ATOM 226 O ILE A 34 0.972 17.003 34.155 1.00 26.32 O ATOM 227 CB ILE A 34 0.513 15.937 31.321 1.00 28.73 C ATOM 228 CG1 ILE A 34 0.390 16.015 29.799 1.00 26.33 C ATOM 229 CG2 ILE A 34 -0.333 14.792 31.877 1.00 28.17 C ATOM 230 CD1 ILE A 34 0.839 14.779 29.086 1.00 28.89 C ATOM 0 H ILE A 34 1.829 18.132 31.622 1.00 28.30 H new ATOM 0 HA ILE A 34 -0.803 17.526 31.596 1.00 28.09 H new ATOM 0 HB ILE A 34 1.437 15.761 31.557 1.00 28.73 H new ATOM 0 HG12 ILE A 34 -0.535 16.192 29.568 1.00 26.33 H new ATOM 0 HG13 ILE A 34 0.911 16.768 29.480 1.00 26.33 H new ATOM 0 HG21 ILE A 34 -0.045 13.955 31.481 1.00 28.17 H new ATOM 0 HG22 ILE A 34 -0.225 14.747 32.840 1.00 28.17 H new ATOM 0 HG23 ILE A 34 -1.267 14.946 31.664 1.00 28.17 H new ATOM 0 HD11 ILE A 34 0.733 14.900 28.129 1.00 28.89 H new ATOM 0 HD12 ILE A 34 1.772 14.609 29.288 1.00 28.89 H new ATOM 0 HD13 ILE A 34 0.303 14.025 29.377 1.00 28.89 H new ATOM 231 N ALA A 35 -1.258 17.258 33.954 1.00 28.08 N ATOM 232 CA ALA A 35 -1.514 17.184 35.383 1.00 28.84 C ATOM 233 C ALA A 35 -1.693 15.755 35.894 1.00 29.42 C ATOM 234 O ALA A 35 -1.273 15.440 37.005 1.00 32.63 O ATOM 235 CB ALA A 35 -2.744 18.023 35.723 1.00 28.61 C ATOM 0 H ALA A 35 -1.963 17.361 33.473 1.00 28.08 H new ATOM 0 HA ALA A 35 -0.729 17.536 35.831 1.00 28.84 H new ATOM 0 HB1 ALA A 35 -2.916 17.974 36.676 1.00 28.61 H new ATOM 0 HB2 ALA A 35 -2.586 18.946 35.470 1.00 28.61 H new ATOM 0 HB3 ALA A 35 -3.512 17.682 35.239 1.00 28.61 H new ATOM 236 N ASP A 36 -2.316 14.906 35.078 1.00 29.07 N ATOM 237 CA ASP A 36 -2.581 13.504 35.408 1.00 27.47 C ATOM 238 C ASP A 36 -1.307 12.682 35.672 1.00 27.48 C ATOM 239 O ASP A 36 -0.449 12.535 34.800 1.00 25.55 O ATOM 240 CB ASP A 36 -3.363 12.854 34.267 1.00 28.97 C ATOM 241 CG ASP A 36 -4.089 11.591 34.694 1.00 29.75 C ATOM 242 OD1 ASP A 36 -3.508 10.764 35.436 1.00 30.80 O ATOM 243 OD2 ASP A 36 -5.251 11.431 34.265 1.00 30.20 O ATOM 0 H ASP A 36 -2.603 15.133 34.300 1.00 29.07 H new ATOM 0 HA ASP A 36 -3.093 13.506 36.232 1.00 27.47 H new ATOM 0 HB2 ASP A 36 -4.007 13.490 33.919 1.00 28.97 H new ATOM 0 HB3 ASP A 36 -2.754 12.642 33.543 1.00 28.97 H new ATOM 244 N PRO A 37 -1.193 12.118 36.880 1.00 27.18 N ATOM 245 CA PRO A 37 -0.069 11.297 37.353 1.00 27.37 C ATOM 246 C PRO A 37 0.143 10.014 36.553 1.00 27.02 C ATOM 247 O PRO A 37 1.279 9.589 36.327 1.00 26.07 O ATOM 248 CB PRO A 37 -0.446 10.988 38.803 1.00 27.86 C ATOM 249 CG PRO A 37 -1.428 12.085 39.163 1.00 29.80 C ATOM 250 CD PRO A 37 -2.225 12.248 37.922 1.00 27.78 C ATOM 0 HA PRO A 37 0.775 11.765 37.254 1.00 27.37 H new ATOM 0 HB2 PRO A 37 -0.848 10.109 38.887 1.00 27.86 H new ATOM 0 HB3 PRO A 37 0.331 11.001 39.383 1.00 27.86 H new ATOM 0 HG2 PRO A 37 -1.985 11.834 39.916 1.00 29.80 H new ATOM 0 HG3 PRO A 37 -0.974 12.906 39.408 1.00 29.80 H new ATOM 0 HD2 PRO A 37 -2.912 11.569 37.840 1.00 27.78 H new ATOM 0 HD3 PRO A 37 -2.671 13.109 37.887 1.00 27.78 H new ATOM 251 N ASN A 38 -0.955 9.398 36.131 1.00 25.81 N ATOM 252 CA ASN A 38 -0.877 8.154 35.383 1.00 27.15 C ATOM 253 C ASN A 38 -0.507 8.324 33.923 1.00 26.76 C ATOM 254 O ASN A 38 0.177 7.471 33.353 1.00 25.06 O ATOM 255 CB ASN A 38 -2.188 7.389 35.530 1.00 29.03 C ATOM 256 CG ASN A 38 -2.438 6.969 36.964 1.00 32.42 C ATOM 257 OD1 ASN A 38 -3.649 7.217 37.459 1.00 30.86 O flip ATOM 258 ND2 ASN A 38 -1.543 6.432 37.626 1.00 33.42 N flip ATOM 0 H ASN A 38 -1.754 9.685 36.268 1.00 25.81 H new ATOM 0 HA ASN A 38 -0.146 7.645 35.768 1.00 27.15 H new ATOM 0 HB2 ASN A 38 -2.922 7.944 35.223 1.00 29.03 H new ATOM 0 HB3 ASN A 38 -2.169 6.603 34.962 1.00 29.03 H new ATOM 0 HD21 ASN A 38 -0.773 6.288 37.271 1.00 33.42 H new ATOM 0 HD22 ASN A 38 -1.690 6.202 38.442 1.00 33.42 H new ATOM 259 N VAL A 39 -0.978 9.417 33.323 1.00 26.95 N ATOM 260 CA VAL A 39 -0.675 9.744 31.935 1.00 26.74 C ATOM 261 C VAL A 39 0.817 10.067 31.905 1.00 28.21 C ATOM 262 O VAL A 39 1.543 9.604 31.023 1.00 27.89 O ATOM 263 CB VAL A 39 -1.495 10.981 31.450 1.00 26.64 C ATOM 264 CG1 VAL A 39 -0.947 11.509 30.126 1.00 22.27 C ATOM 265 CG2 VAL A 39 -2.959 10.597 31.295 1.00 25.87 C ATOM 0 H VAL A 39 -1.485 9.991 33.714 1.00 26.95 H new ATOM 0 HA VAL A 39 -0.906 9.007 31.347 1.00 26.74 H new ATOM 0 HB VAL A 39 -1.416 11.685 32.113 1.00 26.64 H new ATOM 0 HG11 VAL A 39 -1.469 12.276 29.842 1.00 22.27 H new ATOM 0 HG12 VAL A 39 -0.021 11.774 30.241 1.00 22.27 H new ATOM 0 HG13 VAL A 39 -1.003 10.813 29.452 1.00 22.27 H new ATOM 0 HG21 VAL A 39 -3.466 11.367 30.994 1.00 25.87 H new ATOM 0 HG22 VAL A 39 -3.039 9.883 30.644 1.00 25.87 H new ATOM 0 HG23 VAL A 39 -3.307 10.296 32.149 1.00 25.87 H new ATOM 266 N ASN A 40 1.273 10.852 32.879 1.00 28.74 N ATOM 267 CA ASN A 40 2.685 11.200 32.958 1.00 30.48 C ATOM 268 C ASN A 40 3.515 9.932 33.068 1.00 30.41 C ATOM 269 O ASN A 40 4.564 9.808 32.443 1.00 30.69 O ATOM 270 CB ASN A 40 2.972 12.084 34.171 1.00 32.85 C ATOM 271 CG ASN A 40 2.601 13.541 33.940 1.00 36.01 C ATOM 272 OD1 ASN A 40 2.881 14.110 32.882 1.00 36.35 O ATOM 273 ND2 ASN A 40 1.986 14.159 34.944 1.00 36.73 N ATOM 0 H ASN A 40 0.783 11.191 33.499 1.00 28.74 H new ATOM 0 HA ASN A 40 2.918 11.690 32.154 1.00 30.48 H new ATOM 0 HB2 ASN A 40 2.480 11.747 34.936 1.00 32.85 H new ATOM 0 HB3 ASN A 40 3.915 12.026 34.393 1.00 32.85 H new ATOM 0 HD21 ASN A 40 1.768 14.988 34.870 1.00 36.73 H new ATOM 0 HD22 ASN A 40 1.806 13.730 35.668 1.00 36.73 H new ATOM 274 N LYS A 41 3.035 8.985 33.866 1.00 31.72 N ATOM 275 CA LYS A 41 3.748 7.737 34.044 1.00 32.52 C ATOM 276 C LYS A 41 3.749 6.929 32.747 1.00 31.57 C ATOM 277 O LYS A 41 4.765 6.338 32.391 1.00 32.73 O ATOM 278 CB LYS A 41 3.126 6.927 35.182 1.00 35.84 C ATOM 279 CG LYS A 41 4.096 5.934 35.815 1.00 41.86 C ATOM 280 CD LYS A 41 3.437 5.100 36.910 1.00 46.23 C ATOM 281 CE LYS A 41 4.434 4.131 37.538 1.00 47.47 C ATOM 282 NZ LYS A 41 3.775 3.173 38.476 1.00 50.71 N ATOM 0 H LYS A 41 2.301 9.049 34.310 1.00 31.72 H new ATOM 0 HA LYS A 41 4.668 7.938 34.277 1.00 32.52 H new ATOM 0 HB2 LYS A 41 2.804 7.535 35.865 1.00 35.84 H new ATOM 0 HB3 LYS A 41 2.355 6.446 34.844 1.00 35.84 H new ATOM 0 HG2 LYS A 41 4.446 5.345 35.129 1.00 41.86 H new ATOM 0 HG3 LYS A 41 4.851 6.415 36.188 1.00 41.86 H new ATOM 0 HD2 LYS A 41 3.076 5.686 37.594 1.00 46.23 H new ATOM 0 HD3 LYS A 41 2.690 4.605 36.538 1.00 46.23 H new ATOM 0 HE2 LYS A 41 4.886 3.636 36.837 1.00 47.47 H new ATOM 0 HE3 LYS A 41 5.114 4.633 38.015 1.00 47.47 H new ATOM 0 HZ1 LYS A 41 4.387 2.626 38.821 1.00 50.71 H new ATOM 0 HZ2 LYS A 41 3.378 3.625 39.132 1.00 50.71 H new ATOM 0 HZ3 LYS A 41 3.167 2.696 38.035 1.00 50.71 H new ATOM 283 N ASP A 42 2.626 6.910 32.030 1.00 29.90 N ATOM 284 CA ASP A 42 2.555 6.170 30.764 1.00 29.16 C ATOM 285 C ASP A 42 3.505 6.730 29.702 1.00 27.08 C ATOM 286 O ASP A 42 4.206 5.975 29.027 1.00 26.26 O ATOM 287 CB ASP A 42 1.132 6.174 30.195 1.00 30.77 C ATOM 288 CG ASP A 42 0.215 5.192 30.897 1.00 36.02 C ATOM 289 OD1 ASP A 42 0.675 4.084 31.240 1.00 38.29 O ATOM 290 OD2 ASP A 42 -0.976 5.518 31.095 1.00 39.54 O ATOM 0 H ASP A 42 1.900 7.313 32.253 1.00 29.90 H new ATOM 0 HA ASP A 42 2.825 5.263 30.975 1.00 29.16 H new ATOM 0 HB2 ASP A 42 0.761 7.067 30.270 1.00 30.77 H new ATOM 0 HB3 ASP A 42 1.166 5.959 29.250 1.00 30.77 H new ATOM 291 N LEU A 43 3.513 8.051 29.555 1.00 24.06 N ATOM 292 CA LEU A 43 4.364 8.714 28.581 1.00 24.44 C ATOM 293 C LEU A 43 5.836 8.589 28.949 1.00 25.98 C ATOM 294 O LEU A 43 6.708 8.595 28.085 1.00 25.21 O ATOM 295 CB LEU A 43 3.984 10.192 28.466 1.00 22.13 C ATOM 296 CG LEU A 43 2.596 10.446 27.884 1.00 22.74 C ATOM 297 CD1 LEU A 43 2.238 11.915 28.017 1.00 20.63 C ATOM 298 CD2 LEU A 43 2.558 9.984 26.433 1.00 20.34 C ATOM 0 H LEU A 43 3.024 8.586 30.018 1.00 24.06 H new ATOM 0 HA LEU A 43 4.228 8.277 27.726 1.00 24.44 H new ATOM 0 HB2 LEU A 43 4.032 10.596 29.347 1.00 22.13 H new ATOM 0 HB3 LEU A 43 4.642 10.641 27.912 1.00 22.13 H new ATOM 0 HG LEU A 43 1.934 9.937 28.378 1.00 22.74 H new ATOM 0 HD11 LEU A 43 1.355 12.068 27.645 1.00 20.63 H new ATOM 0 HD12 LEU A 43 2.242 12.166 28.954 1.00 20.63 H new ATOM 0 HD13 LEU A 43 2.888 12.451 27.537 1.00 20.63 H new ATOM 0 HD21 LEU A 43 1.675 10.146 26.065 1.00 20.34 H new ATOM 0 HD22 LEU A 43 3.218 10.476 25.919 1.00 20.34 H new ATOM 0 HD23 LEU A 43 2.757 9.036 26.390 1.00 20.34 H new ATOM 299 N ARG A 44 6.107 8.487 30.242 1.00 26.41 N ATOM 300 CA ARG A 44 7.471 8.348 30.701 1.00 27.40 C ATOM 301 C ARG A 44 7.940 6.961 30.281 1.00 25.67 C ATOM 302 O ARG A 44 9.057 6.787 29.782 1.00 22.43 O ATOM 303 CB ARG A 44 7.512 8.482 32.218 1.00 32.41 C ATOM 304 CG ARG A 44 8.865 8.821 32.788 1.00 38.55 C ATOM 305 CD ARG A 44 8.707 9.242 34.244 1.00 44.71 C ATOM 306 NE ARG A 44 7.901 10.456 34.383 1.00 47.15 N ATOM 307 CZ ARG A 44 7.136 10.727 35.437 1.00 48.85 C ATOM 308 NH1 ARG A 44 7.067 9.864 36.445 1.00 49.62 N ATOM 309 NH2 ARG A 44 6.444 11.861 35.490 1.00 49.52 N ATOM 0 H ARG A 44 5.515 8.496 30.865 1.00 26.41 H new ATOM 0 HA ARG A 44 8.044 9.032 30.322 1.00 27.40 H new ATOM 0 HB2 ARG A 44 6.881 9.168 32.486 1.00 32.41 H new ATOM 0 HB3 ARG A 44 7.209 7.649 32.612 1.00 32.41 H new ATOM 0 HG2 ARG A 44 9.456 8.054 32.724 1.00 38.55 H new ATOM 0 HG3 ARG A 44 9.273 9.537 32.276 1.00 38.55 H new ATOM 0 HD2 ARG A 44 8.293 8.522 34.744 1.00 44.71 H new ATOM 0 HD3 ARG A 44 9.583 9.391 34.633 1.00 44.71 H new ATOM 0 HE ARG A 44 7.923 11.030 33.743 1.00 47.15 H new ATOM 0 HH11 ARG A 44 7.517 9.131 36.415 1.00 49.62 H new ATOM 0 HH12 ARG A 44 6.573 10.038 37.127 1.00 49.62 H new ATOM 0 HH21 ARG A 44 6.490 12.423 34.841 1.00 49.52 H new ATOM 0 HH22 ARG A 44 5.951 12.032 36.173 1.00 49.52 H new ATOM 310 N ALA A 45 7.064 5.981 30.480 1.00 22.44 N ATOM 311 CA ALA A 45 7.360 4.598 30.133 1.00 23.86 C ATOM 312 C ALA A 45 7.492 4.415 28.621 1.00 22.90 C ATOM 313 O ALA A 45 8.272 3.593 28.148 1.00 21.96 O ATOM 314 CB ALA A 45 6.272 3.674 30.685 1.00 23.54 C ATOM 0 H ALA A 45 6.283 6.100 30.820 1.00 22.44 H new ATOM 0 HA ALA A 45 8.212 4.365 30.534 1.00 23.86 H new ATOM 0 HB1 ALA A 45 6.477 2.756 30.449 1.00 23.54 H new ATOM 0 HB2 ALA A 45 6.234 3.759 31.651 1.00 23.54 H new ATOM 0 HB3 ALA A 45 5.414 3.921 30.305 1.00 23.54 H new ATOM 315 N PHE A 46 6.726 5.183 27.862 1.00 22.09 N ATOM 316 CA PHE A 46 6.803 5.086 26.419 1.00 22.08 C ATOM 317 C PHE A 46 8.141 5.679 25.990 1.00 23.57 C ATOM 318 O PHE A 46 8.816 5.140 25.111 1.00 24.19 O ATOM 319 CB PHE A 46 5.649 5.854 25.784 1.00 21.50 C ATOM 320 CG PHE A 46 5.616 5.773 24.296 1.00 18.33 C ATOM 321 CD1 PHE A 46 5.223 4.604 23.662 1.00 18.55 C ATOM 322 CD2 PHE A 46 5.981 6.867 23.524 1.00 16.86 C ATOM 323 CE1 PHE A 46 5.190 4.526 22.270 1.00 19.24 C ATOM 324 CE2 PHE A 46 5.954 6.801 22.137 1.00 18.37 C ATOM 325 CZ PHE A 46 5.557 5.628 21.507 1.00 16.66 C ATOM 0 H PHE A 46 6.162 5.760 28.160 1.00 22.09 H new ATOM 0 HA PHE A 46 6.738 4.162 26.131 1.00 22.08 H new ATOM 0 HB2 PHE A 46 4.812 5.513 26.136 1.00 21.50 H new ATOM 0 HB3 PHE A 46 5.709 6.786 26.047 1.00 21.50 H new ATOM 0 HD1 PHE A 46 4.979 3.864 24.170 1.00 18.55 H new ATOM 0 HD2 PHE A 46 6.247 7.655 23.941 1.00 16.86 H new ATOM 0 HE1 PHE A 46 4.923 3.739 21.853 1.00 19.24 H new ATOM 0 HE2 PHE A 46 6.201 7.541 21.631 1.00 18.37 H new ATOM 0 HZ PHE A 46 5.537 5.581 20.578 1.00 16.66 H new ATOM 326 N CYS A 47 8.523 6.787 26.625 1.00 25.57 N ATOM 327 CA CYS A 47 9.788 7.456 26.325 1.00 27.60 C ATOM 328 C CYS A 47 10.981 6.549 26.570 1.00 27.11 C ATOM 329 O CYS A 47 11.981 6.623 25.859 1.00 28.70 O ATOM 330 CB CYS A 47 9.944 8.737 27.155 1.00 28.97 C ATOM 331 SG CYS A 47 9.235 10.220 26.386 1.00 36.34 S ATOM 0 H CYS A 47 8.058 7.170 27.239 1.00 25.57 H new ATOM 0 HA CYS A 47 9.765 7.684 25.383 1.00 27.60 H new ATOM 0 HB2 CYS A 47 9.525 8.602 28.019 1.00 28.97 H new ATOM 0 HB3 CYS A 47 10.888 8.891 27.318 1.00 28.97 H new ATOM 0 HG CYS A 47 9.404 11.164 27.107 1.00 36.34 H new ATOM 332 N GLU A 48 10.882 5.703 27.586 1.00 27.34 N ATOM 333 CA GLU A 48 11.960 4.783 27.891 1.00 28.30 C ATOM 334 C GLU A 48 11.937 3.630 26.896 1.00 26.57 C ATOM 335 O GLU A 48 12.958 2.985 26.654 1.00 25.10 O ATOM 336 CB GLU A 48 11.840 4.301 29.337 1.00 31.97 C ATOM 337 CG GLU A 48 12.255 5.396 30.328 1.00 40.08 C ATOM 338 CD GLU A 48 11.732 5.186 31.748 1.00 44.28 C ATOM 339 OE1 GLU A 48 10.498 5.139 31.938 1.00 45.97 O ATOM 340 OE2 GLU A 48 12.561 5.081 32.679 1.00 47.99 O ATOM 0 H GLU A 48 10.201 5.647 28.108 1.00 27.34 H new ATOM 0 HA GLU A 48 12.816 5.231 27.807 1.00 28.30 H new ATOM 0 HB2 GLU A 48 10.925 4.031 29.515 1.00 31.97 H new ATOM 0 HB3 GLU A 48 12.397 3.518 29.466 1.00 31.97 H new ATOM 0 HG2 GLU A 48 13.223 5.444 30.355 1.00 40.08 H new ATOM 0 HG3 GLU A 48 11.937 6.252 30.000 1.00 40.08 H new ATOM 341 N PHE A 49 10.769 3.398 26.301 1.00 24.89 N ATOM 342 CA PHE A 49 10.612 2.358 25.294 1.00 21.89 C ATOM 343 C PHE A 49 11.396 2.787 24.047 1.00 22.76 C ATOM 344 O PHE A 49 12.067 1.971 23.415 1.00 22.80 O ATOM 345 CB PHE A 49 9.135 2.172 24.930 1.00 21.00 C ATOM 346 CG PHE A 49 8.920 1.410 23.648 1.00 20.16 C ATOM 347 CD1 PHE A 49 9.014 0.022 23.622 1.00 20.30 C ATOM 348 CD2 PHE A 49 8.698 2.086 22.451 1.00 20.73 C ATOM 349 CE1 PHE A 49 8.897 -0.680 22.427 1.00 19.17 C ATOM 350 CE2 PHE A 49 8.582 1.393 21.244 1.00 19.52 C ATOM 351 CZ PHE A 49 8.683 0.010 21.233 1.00 21.24 C ATOM 0 H PHE A 49 10.050 3.838 26.470 1.00 24.89 H new ATOM 0 HA PHE A 49 10.945 1.515 25.640 1.00 21.89 H new ATOM 0 HB2 PHE A 49 8.688 1.705 25.653 1.00 21.00 H new ATOM 0 HB3 PHE A 49 8.717 3.044 24.853 1.00 21.00 H new ATOM 0 HD1 PHE A 49 9.157 -0.443 24.415 1.00 20.30 H new ATOM 0 HD2 PHE A 49 8.626 3.013 22.455 1.00 20.73 H new ATOM 0 HE1 PHE A 49 8.961 -1.608 22.424 1.00 19.17 H new ATOM 0 HE2 PHE A 49 8.438 1.857 20.451 1.00 19.52 H new ATOM 0 HZ PHE A 49 8.608 -0.457 20.432 1.00 21.24 H new ATOM 352 N LEU A 50 11.313 4.073 23.704 1.00 22.21 N ATOM 353 CA LEU A 50 12.013 4.606 22.540 1.00 20.84 C ATOM 354 C LEU A 50 13.525 4.594 22.720 1.00 21.91 C ATOM 355 O LEU A 50 14.264 4.412 21.760 1.00 26.34 O ATOM 356 CB LEU A 50 11.560 6.034 22.236 1.00 21.06 C ATOM 357 CG LEU A 50 10.091 6.280 21.904 1.00 20.51 C ATOM 358 CD1 LEU A 50 9.879 7.741 21.704 1.00 22.07 C ATOM 359 CD2 LEU A 50 9.685 5.532 20.663 1.00 21.46 C ATOM 0 H LEU A 50 10.852 4.656 24.137 1.00 22.21 H new ATOM 0 HA LEU A 50 11.788 4.025 21.797 1.00 20.84 H new ATOM 0 HB2 LEU A 50 11.785 6.584 23.003 1.00 21.06 H new ATOM 0 HB3 LEU A 50 12.089 6.358 21.490 1.00 21.06 H new ATOM 0 HG LEU A 50 9.545 5.960 22.639 1.00 20.51 H new ATOM 0 HD11 LEU A 50 8.947 7.907 21.492 1.00 22.07 H new ATOM 0 HD12 LEU A 50 10.115 8.217 22.516 1.00 22.07 H new ATOM 0 HD13 LEU A 50 10.436 8.052 20.974 1.00 22.07 H new ATOM 0 HD21 LEU A 50 8.749 5.704 20.473 1.00 21.46 H new ATOM 0 HD22 LEU A 50 10.226 5.828 19.915 1.00 21.46 H new ATOM 0 HD23 LEU A 50 9.817 4.581 20.800 1.00 21.46 H new ATOM 360 N THR A 51 13.995 4.806 23.940 1.00 22.05 N ATOM 361 CA THR A 51 15.427 4.785 24.194 1.00 20.71 C ATOM 362 C THR A 51 15.918 3.349 24.060 1.00 22.06 C ATOM 363 O THR A 51 16.926 3.084 23.412 1.00 23.80 O ATOM 364 CB THR A 51 15.741 5.338 25.599 1.00 20.85 C ATOM 365 OG1 THR A 51 15.863 6.756 25.514 1.00 19.74 O ATOM 366 CG2 THR A 51 17.037 4.756 26.153 1.00 21.29 C ATOM 0 H THR A 51 13.506 4.963 24.630 1.00 22.05 H new ATOM 0 HA THR A 51 15.882 5.350 23.550 1.00 20.71 H new ATOM 0 HB THR A 51 15.020 5.087 26.197 1.00 20.85 H new ATOM 0 HG1 THR A 51 16.033 7.069 26.275 1.00 19.74 H new ATOM 0 HG21 THR A 51 17.206 5.123 27.035 1.00 21.29 H new ATOM 0 HG22 THR A 51 16.959 3.791 26.214 1.00 21.29 H new ATOM 0 HG23 THR A 51 17.772 4.983 25.563 1.00 21.29 H new ATOM 367 N VAL A 52 15.196 2.421 24.673 1.00 20.82 N ATOM 368 CA VAL A 52 15.553 1.018 24.582 1.00 21.91 C ATOM 369 C VAL A 52 15.546 0.579 23.117 1.00 22.69 C ATOM 370 O VAL A 52 16.419 -0.162 22.685 1.00 25.07 O ATOM 371 CB VAL A 52 14.553 0.134 25.363 1.00 24.34 C ATOM 372 CG1 VAL A 52 14.837 -1.347 25.080 1.00 24.33 C ATOM 373 CG2 VAL A 52 14.646 0.431 26.857 1.00 21.47 C ATOM 0 H VAL A 52 14.497 2.585 25.146 1.00 20.82 H new ATOM 0 HA VAL A 52 16.437 0.911 24.966 1.00 21.91 H new ATOM 0 HB VAL A 52 13.650 0.335 25.070 1.00 24.34 H new ATOM 0 HG11 VAL A 52 14.207 -1.897 25.572 1.00 24.33 H new ATOM 0 HG12 VAL A 52 14.743 -1.519 24.130 1.00 24.33 H new ATOM 0 HG13 VAL A 52 15.741 -1.562 25.359 1.00 24.33 H new ATOM 0 HG21 VAL A 52 14.016 -0.128 27.338 1.00 21.47 H new ATOM 0 HG22 VAL A 52 15.546 0.245 27.169 1.00 21.47 H new ATOM 0 HG23 VAL A 52 14.436 1.365 27.015 1.00 21.47 H new ATOM 374 N GLN A 53 14.555 1.045 22.360 1.00 23.16 N ATOM 375 CA GLN A 53 14.415 0.707 20.944 1.00 23.06 C ATOM 376 C GLN A 53 15.674 1.082 20.165 1.00 24.62 C ATOM 377 O GLN A 53 16.158 0.326 19.318 1.00 23.62 O ATOM 378 CB GLN A 53 13.209 1.442 20.358 1.00 22.65 C ATOM 379 CG GLN A 53 12.905 1.117 18.913 1.00 23.30 C ATOM 380 CD GLN A 53 11.700 1.889 18.375 1.00 25.10 C ATOM 381 OE1 GLN A 53 11.785 3.086 18.126 1.00 27.77 O ATOM 382 NE2 GLN A 53 10.572 1.200 18.202 1.00 24.04 N ATOM 0 H GLN A 53 13.941 1.570 22.655 1.00 23.16 H new ATOM 0 HA GLN A 53 14.284 -0.251 20.869 1.00 23.06 H new ATOM 0 HB2 GLN A 53 12.428 1.233 20.894 1.00 22.65 H new ATOM 0 HB3 GLN A 53 13.360 2.397 20.436 1.00 22.65 H new ATOM 0 HG2 GLN A 53 13.683 1.319 18.370 1.00 23.30 H new ATOM 0 HG3 GLN A 53 12.739 0.165 18.828 1.00 23.30 H new ATOM 0 HE21 GLN A 53 10.548 0.360 18.387 1.00 24.04 H new ATOM 0 HE22 GLN A 53 9.868 1.595 17.905 1.00 24.04 H new ATOM 383 N HIS A 54 16.197 2.264 20.456 1.00 25.12 N ATOM 384 CA HIS A 54 17.401 2.733 19.800 1.00 26.41 C ATOM 385 C HIS A 54 18.620 1.859 20.117 1.00 26.53 C ATOM 386 O HIS A 54 19.408 1.522 19.234 1.00 25.97 O ATOM 387 CB HIS A 54 17.680 4.176 20.212 1.00 26.74 C ATOM 388 CG HIS A 54 19.097 4.597 19.990 1.00 29.43 C ATOM 389 ND1 HIS A 54 19.789 4.831 18.849 1.00 28.71 N flip ATOM 390 CD2 HIS A 54 19.986 4.793 21.026 1.00 28.00 C flip ATOM 391 CE1 HIS A 54 21.070 5.160 19.214 1.00 29.87 C flip ATOM 392 NE2 HIS A 54 21.163 5.130 20.531 1.00 30.09 N flip ATOM 0 H HIS A 54 15.867 2.810 21.033 1.00 25.12 H new ATOM 0 HA HIS A 54 17.250 2.680 18.843 1.00 26.41 H new ATOM 0 HB2 HIS A 54 17.093 4.766 19.714 1.00 26.74 H new ATOM 0 HB3 HIS A 54 17.461 4.285 21.151 1.00 26.74 H new ATOM 0 HD1 HIS A 54 19.483 4.782 18.047 1.00 28.71 H new ATOM 0 HD2 HIS A 54 19.788 4.702 21.930 1.00 28.00 H new ATOM 0 HE1 HIS A 54 21.761 5.370 18.628 1.00 29.87 H new ATOM 393 N GLN A 55 18.766 1.485 21.380 1.00 26.79 N ATOM 394 CA GLN A 55 19.901 0.682 21.801 1.00 28.28 C ATOM 395 C GLN A 55 19.909 -0.734 21.249 1.00 28.52 C ATOM 396 O GLN A 55 20.973 -1.317 21.018 1.00 28.15 O ATOM 397 CB GLN A 55 19.956 0.664 23.316 1.00 29.25 C ATOM 398 CG GLN A 55 20.040 2.052 23.861 1.00 33.11 C ATOM 399 CD GLN A 55 19.943 2.089 25.348 1.00 36.79 C ATOM 400 OE1 GLN A 55 19.051 1.477 25.935 1.00 37.37 O ATOM 401 NE2 GLN A 55 20.857 2.817 25.982 1.00 39.63 N ATOM 0 H GLN A 55 18.217 1.687 22.010 1.00 26.79 H new ATOM 0 HA GLN A 55 20.693 1.101 21.430 1.00 28.28 H new ATOM 0 HB2 GLN A 55 19.167 0.222 23.667 1.00 29.25 H new ATOM 0 HB3 GLN A 55 20.724 0.150 23.610 1.00 29.25 H new ATOM 0 HG2 GLN A 55 20.878 2.455 23.585 1.00 33.11 H new ATOM 0 HG3 GLN A 55 19.328 2.589 23.480 1.00 33.11 H new ATOM 0 HE21 GLN A 55 21.464 3.230 25.534 1.00 39.63 H new ATOM 0 HE22 GLN A 55 20.841 2.875 26.840 1.00 39.63 H new ATOM 402 N ARG A 56 18.726 -1.298 21.046 1.00 26.69 N ATOM 403 CA ARG A 56 18.654 -2.635 20.491 1.00 25.30 C ATOM 404 C ARG A 56 19.117 -2.559 19.049 1.00 23.33 C ATOM 405 O ARG A 56 19.795 -3.449 18.547 1.00 24.20 O ATOM 406 CB ARG A 56 17.224 -3.153 20.534 1.00 26.51 C ATOM 407 CG ARG A 56 16.864 -3.811 21.821 1.00 29.95 C ATOM 408 CD ARG A 56 15.413 -4.224 21.809 1.00 34.64 C ATOM 409 NE ARG A 56 15.081 -4.999 22.994 1.00 39.92 N ATOM 410 CZ ARG A 56 13.860 -5.084 23.509 1.00 43.75 C ATOM 411 NH1 ARG A 56 12.850 -4.435 22.937 1.00 44.49 N ATOM 412 NH2 ARG A 56 13.651 -5.813 24.599 1.00 44.71 N ATOM 0 H ARG A 56 17.968 -0.930 21.220 1.00 26.69 H new ATOM 0 HA ARG A 56 19.212 -3.238 21.006 1.00 25.30 H new ATOM 0 HB2 ARG A 56 16.616 -2.414 20.377 1.00 26.51 H new ATOM 0 HB3 ARG A 56 17.096 -3.785 19.810 1.00 26.51 H new ATOM 0 HG2 ARG A 56 17.427 -4.588 21.963 1.00 29.95 H new ATOM 0 HG3 ARG A 56 17.028 -3.203 22.559 1.00 29.95 H new ATOM 0 HD2 ARG A 56 14.849 -3.436 21.766 1.00 34.64 H new ATOM 0 HD3 ARG A 56 15.229 -4.748 21.014 1.00 34.64 H new ATOM 0 HE ARG A 56 15.715 -5.429 23.385 1.00 39.92 H new ATOM 0 HH11 ARG A 56 12.988 -3.960 22.233 1.00 44.49 H new ATOM 0 HH12 ARG A 56 12.059 -4.490 23.271 1.00 44.49 H new ATOM 0 HH21 ARG A 56 14.306 -6.229 24.970 1.00 44.71 H new ATOM 0 HH22 ARG A 56 12.861 -5.869 24.934 1.00 44.71 H new ATOM 413 N ALA A 57 18.724 -1.486 18.382 1.00 22.62 N ATOM 414 CA ALA A 57 19.087 -1.286 16.996 1.00 21.94 C ATOM 415 C ALA A 57 20.594 -1.038 16.896 1.00 21.02 C ATOM 416 O ALA A 57 21.268 -1.621 16.054 1.00 21.40 O ATOM 417 CB ALA A 57 18.311 -0.123 16.435 1.00 21.61 C ATOM 0 H ALA A 57 18.243 -0.858 18.719 1.00 22.62 H new ATOM 0 HA ALA A 57 18.870 -2.077 16.479 1.00 21.94 H new ATOM 0 HB1 ALA A 57 18.555 0.011 15.506 1.00 21.61 H new ATOM 0 HB2 ALA A 57 17.361 -0.308 16.496 1.00 21.61 H new ATOM 0 HB3 ALA A 57 18.517 0.678 16.941 1.00 21.61 H new ATOM 418 N TYR A 58 21.118 -0.195 17.779 1.00 20.79 N ATOM 419 CA TYR A 58 22.536 0.106 17.783 1.00 22.04 C ATOM 420 C TYR A 58 23.313 -1.186 17.966 1.00 20.99 C ATOM 421 O TYR A 58 24.257 -1.464 17.221 1.00 21.18 O ATOM 422 CB TYR A 58 22.877 1.083 18.911 1.00 27.46 C ATOM 423 CG TYR A 58 24.155 1.859 18.680 1.00 32.45 C ATOM 424 CD1 TYR A 58 24.263 2.747 17.619 1.00 37.24 C ATOM 425 CD2 TYR A 58 25.247 1.722 19.530 1.00 35.88 C ATOM 426 CE1 TYR A 58 25.425 3.486 17.407 1.00 40.68 C ATOM 427 CE2 TYR A 58 26.418 2.459 19.331 1.00 39.06 C ATOM 428 CZ TYR A 58 26.499 3.343 18.267 1.00 39.80 C ATOM 429 OH TYR A 58 27.634 4.106 18.067 1.00 37.49 O ATOM 0 H TYR A 58 20.664 0.213 18.385 1.00 20.79 H new ATOM 0 HA TYR A 58 22.777 0.521 16.940 1.00 22.04 H new ATOM 0 HB2 TYR A 58 22.144 1.709 19.019 1.00 27.46 H new ATOM 0 HB3 TYR A 58 22.954 0.590 19.743 1.00 27.46 H new ATOM 0 HD1 TYR A 58 23.545 2.851 17.037 1.00 37.24 H new ATOM 0 HD2 TYR A 58 25.197 1.129 20.244 1.00 35.88 H new ATOM 0 HE1 TYR A 58 25.478 4.074 16.689 1.00 40.68 H new ATOM 0 HE2 TYR A 58 27.139 2.357 19.910 1.00 39.06 H new ATOM 0 HH TYR A 58 28.203 3.922 18.656 1.00 37.49 H new ATOM 430 N ARG A 59 22.909 -1.984 18.947 1.00 18.82 N ATOM 431 CA ARG A 59 23.592 -3.241 19.181 1.00 20.46 C ATOM 432 C ARG A 59 23.447 -4.201 18.007 1.00 19.95 C ATOM 433 O ARG A 59 24.426 -4.837 17.613 1.00 19.81 O ATOM 434 CB ARG A 59 23.099 -3.902 20.476 1.00 22.19 C ATOM 435 CG ARG A 59 23.634 -3.216 21.731 1.00 24.62 C ATOM 436 CD ARG A 59 23.586 -4.113 22.945 1.00 28.98 C ATOM 437 NE ARG A 59 22.220 -4.370 23.386 1.00 35.00 N ATOM 438 CZ ARG A 59 21.433 -3.466 23.962 1.00 36.22 C ATOM 439 NH1 ARG A 59 21.877 -2.234 24.179 1.00 37.61 N ATOM 440 NH2 ARG A 59 20.196 -3.790 24.308 1.00 34.79 N ATOM 0 H ARG A 59 22.253 -1.818 19.478 1.00 18.82 H new ATOM 0 HA ARG A 59 24.535 -3.035 19.275 1.00 20.46 H new ATOM 0 HB2 ARG A 59 22.129 -3.887 20.493 1.00 22.19 H new ATOM 0 HB3 ARG A 59 23.369 -4.834 20.482 1.00 22.19 H new ATOM 0 HG2 ARG A 59 24.549 -2.934 21.577 1.00 24.62 H new ATOM 0 HG3 ARG A 59 23.116 -2.415 21.904 1.00 24.62 H new ATOM 0 HD2 ARG A 59 24.022 -4.955 22.740 1.00 28.98 H new ATOM 0 HD3 ARG A 59 24.086 -3.703 23.668 1.00 28.98 H new ATOM 0 HE ARG A 59 21.902 -5.160 23.265 1.00 35.00 H new ATOM 0 HH11 ARG A 59 22.676 -2.018 23.947 1.00 37.61 H new ATOM 0 HH12 ARG A 59 21.365 -1.652 24.552 1.00 37.61 H new ATOM 0 HH21 ARG A 59 19.902 -4.585 24.160 1.00 34.79 H new ATOM 0 HH22 ARG A 59 19.687 -3.206 24.681 1.00 34.79 H new ATOM 441 N ALA A 60 22.243 -4.293 17.437 1.00 17.78 N ATOM 442 CA ALA A 60 22.021 -5.185 16.311 1.00 16.06 C ATOM 443 C ALA A 60 22.852 -4.792 15.087 1.00 18.06 C ATOM 444 O ALA A 60 23.434 -5.663 14.436 1.00 18.61 O ATOM 445 CB ALA A 60 20.554 -5.229 15.948 1.00 16.29 C ATOM 0 H ALA A 60 21.551 -3.849 17.689 1.00 17.78 H new ATOM 0 HA ALA A 60 22.309 -6.068 16.589 1.00 16.06 H new ATOM 0 HB1 ALA A 60 20.424 -5.828 15.196 1.00 16.29 H new ATOM 0 HB2 ALA A 60 20.042 -5.549 16.707 1.00 16.29 H new ATOM 0 HB3 ALA A 60 20.253 -4.339 15.707 1.00 16.29 H new ATOM 446 N THR A 61 22.920 -3.499 14.767 1.00 17.66 N ATOM 447 CA THR A 61 23.696 -3.081 13.610 1.00 17.41 C ATOM 448 C THR A 61 25.183 -3.243 13.887 1.00 17.40 C ATOM 449 O THR A 61 25.933 -3.639 13.009 1.00 18.21 O ATOM 450 CB THR A 61 23.408 -1.606 13.179 1.00 18.79 C ATOM 451 OG1 THR A 61 23.949 -0.703 14.142 1.00 26.82 O ATOM 452 CG2 THR A 61 21.922 -1.353 13.052 1.00 13.29 C ATOM 0 H THR A 61 22.532 -2.864 15.198 1.00 17.66 H new ATOM 0 HA THR A 61 23.425 -3.655 12.877 1.00 17.41 H new ATOM 0 HB THR A 61 23.826 -1.463 12.315 1.00 18.79 H new ATOM 0 HG1 THR A 61 24.410 -0.120 13.751 1.00 26.82 H new ATOM 0 HG21 THR A 61 21.772 -0.433 12.784 1.00 13.29 H new ATOM 0 HG22 THR A 61 21.548 -1.949 12.384 1.00 13.29 H new ATOM 0 HG23 THR A 61 21.492 -1.515 13.906 1.00 13.29 H new ATOM 453 N ASN A 62 25.616 -2.962 15.109 1.00 17.64 N ATOM 454 CA ASN A 62 27.032 -3.120 15.422 1.00 19.32 C ATOM 455 C ASN A 62 27.478 -4.561 15.267 1.00 20.64 C ATOM 456 O ASN A 62 28.515 -4.831 14.684 1.00 23.10 O ATOM 457 CB ASN A 62 27.348 -2.674 16.848 1.00 20.27 C ATOM 458 CG ASN A 62 27.367 -1.173 17.004 1.00 20.26 C ATOM 459 OD1 ASN A 62 27.659 -0.438 16.060 1.00 25.39 O ATOM 460 ND2 ASN A 62 27.075 -0.709 18.206 1.00 19.25 N ATOM 0 H ASN A 62 25.123 -2.686 15.757 1.00 17.64 H new ATOM 0 HA ASN A 62 27.511 -2.559 14.792 1.00 19.32 H new ATOM 0 HB2 ASN A 62 26.689 -3.049 17.453 1.00 20.27 H new ATOM 0 HB3 ASN A 62 28.210 -3.033 17.110 1.00 20.27 H new ATOM 0 HD21 ASN A 62 27.084 0.138 18.354 1.00 19.25 H new ATOM 0 HD22 ASN A 62 26.876 -1.254 18.841 1.00 19.25 H new ATOM 461 N SER A 63 26.697 -5.490 15.797 1.00 21.05 N ATOM 462 CA SER A 63 27.049 -6.897 15.708 1.00 21.24 C ATOM 463 C SER A 63 27.053 -7.384 14.271 1.00 22.09 C ATOM 464 O SER A 63 27.774 -8.314 13.921 1.00 20.51 O ATOM 465 CB SER A 63 26.077 -7.731 16.533 1.00 19.19 C ATOM 466 OG SER A 63 26.242 -7.431 17.902 1.00 22.21 O ATOM 0 H SER A 63 25.961 -5.327 16.211 1.00 21.05 H new ATOM 0 HA SER A 63 27.947 -6.999 16.060 1.00 21.24 H new ATOM 0 HB2 SER A 63 25.165 -7.547 16.259 1.00 19.19 H new ATOM 0 HB3 SER A 63 26.234 -8.676 16.378 1.00 19.19 H new ATOM 0 HG SER A 63 25.747 -6.785 18.109 1.00 22.21 H new ATOM 467 N LEU A 64 26.240 -6.749 13.440 1.00 22.14 N ATOM 468 CA LEU A 64 26.157 -7.124 12.037 1.00 22.16 C ATOM 469 C LEU A 64 27.349 -6.618 11.206 1.00 22.43 C ATOM 470 O LEU A 64 28.003 -7.387 10.501 1.00 22.54 O ATOM 471 CB LEU A 64 24.857 -6.578 11.427 1.00 17.91 C ATOM 472 CG LEU A 64 24.693 -6.757 9.912 1.00 17.56 C ATOM 473 CD1 LEU A 64 24.476 -8.237 9.582 1.00 17.01 C ATOM 474 CD2 LEU A 64 23.514 -5.929 9.421 1.00 13.74 C ATOM 0 H LEU A 64 25.727 -6.097 13.668 1.00 22.14 H new ATOM 0 HA LEU A 64 26.172 -8.093 12.009 1.00 22.16 H new ATOM 0 HB2 LEU A 64 24.108 -7.009 11.868 1.00 17.91 H new ATOM 0 HB3 LEU A 64 24.799 -5.631 11.630 1.00 17.91 H new ATOM 0 HG LEU A 64 25.498 -6.453 9.465 1.00 17.56 H new ATOM 0 HD11 LEU A 64 24.373 -8.343 8.623 1.00 17.01 H new ATOM 0 HD12 LEU A 64 25.241 -8.752 9.884 1.00 17.01 H new ATOM 0 HD13 LEU A 64 23.676 -8.555 10.030 1.00 17.01 H new ATOM 0 HD21 LEU A 64 23.414 -6.045 8.463 1.00 13.74 H new ATOM 0 HD22 LEU A 64 22.704 -6.221 9.868 1.00 13.74 H new ATOM 0 HD23 LEU A 64 23.672 -4.992 9.618 1.00 13.74 H new ATOM 475 N LEU A 65 27.637 -5.327 11.307 1.00 20.92 N ATOM 476 CA LEU A 65 28.692 -4.735 10.505 1.00 20.28 C ATOM 477 C LEU A 65 30.148 -5.089 10.828 1.00 20.34 C ATOM 478 O LEU A 65 31.052 -4.655 10.115 1.00 20.69 O ATOM 479 CB LEU A 65 28.494 -3.210 10.453 1.00 20.34 C ATOM 480 CG LEU A 65 27.105 -2.730 9.973 1.00 19.48 C ATOM 481 CD1 LEU A 65 27.062 -1.219 9.979 1.00 20.73 C ATOM 482 CD2 LEU A 65 26.787 -3.245 8.581 1.00 16.80 C ATOM 0 H LEU A 65 27.233 -4.779 11.833 1.00 20.92 H new ATOM 0 HA LEU A 65 28.580 -5.154 9.637 1.00 20.28 H new ATOM 0 HB2 LEU A 65 28.654 -2.849 11.339 1.00 20.34 H new ATOM 0 HB3 LEU A 65 29.169 -2.833 9.867 1.00 20.34 H new ATOM 0 HG LEU A 65 26.438 -3.083 10.582 1.00 19.48 H new ATOM 0 HD11 LEU A 65 26.190 -0.919 9.678 1.00 20.73 H new ATOM 0 HD12 LEU A 65 27.222 -0.894 10.879 1.00 20.73 H new ATOM 0 HD13 LEU A 65 27.746 -0.873 9.384 1.00 20.73 H new ATOM 0 HD21 LEU A 65 25.912 -2.927 8.310 1.00 16.80 H new ATOM 0 HD22 LEU A 65 27.455 -2.923 7.956 1.00 16.80 H new ATOM 0 HD23 LEU A 65 26.791 -4.215 8.586 1.00 16.80 H new ATOM 483 N ILE A 66 30.401 -5.868 11.876 1.00 20.44 N ATOM 484 CA ILE A 66 31.787 -6.246 12.145 1.00 21.32 C ATOM 485 C ILE A 66 32.114 -7.536 11.416 1.00 22.39 C ATOM 486 O ILE A 66 33.273 -7.927 11.341 1.00 21.64 O ATOM 487 CB ILE A 66 32.111 -6.502 13.630 1.00 22.69 C ATOM 488 CG1 ILE A 66 30.894 -6.258 14.498 1.00 25.13 C ATOM 489 CG2 ILE A 66 33.323 -5.686 14.041 1.00 23.17 C ATOM 490 CD1 ILE A 66 30.172 -7.528 14.824 1.00 30.83 C ATOM 0 H ILE A 66 29.814 -6.178 12.423 1.00 20.44 H new ATOM 0 HA ILE A 66 32.311 -5.487 11.845 1.00 21.32 H new ATOM 0 HB ILE A 66 32.343 -7.435 13.759 1.00 22.69 H new ATOM 0 HG12 ILE A 66 31.167 -5.822 15.320 1.00 25.13 H new ATOM 0 HG13 ILE A 66 30.290 -5.651 14.042 1.00 25.13 H new ATOM 0 HG21 ILE A 66 33.522 -5.851 14.976 1.00 23.17 H new ATOM 0 HG22 ILE A 66 34.085 -5.942 13.498 1.00 23.17 H new ATOM 0 HG23 ILE A 66 33.137 -4.743 13.912 1.00 23.17 H new ATOM 0 HD11 ILE A 66 29.402 -7.329 15.379 1.00 30.83 H new ATOM 0 HD12 ILE A 66 29.877 -7.953 14.003 1.00 30.83 H new ATOM 0 HD13 ILE A 66 30.768 -8.126 15.301 1.00 30.83 H new ATOM 491 N LYS A 67 31.090 -8.216 10.914 1.00 24.36 N ATOM 492 CA LYS A 67 31.307 -9.449 10.174 1.00 26.44 C ATOM 493 C LYS A 67 31.890 -9.014 8.829 1.00 28.14 C ATOM 494 O LYS A 67 31.176 -8.515 7.958 1.00 27.82 O ATOM 495 CB LYS A 67 29.988 -10.197 10.008 1.00 26.05 C ATOM 496 CG LYS A 67 29.348 -10.617 11.341 1.00 25.46 C ATOM 497 CD LYS A 67 27.957 -11.205 11.123 1.00 27.73 C ATOM 498 CE LYS A 67 27.277 -11.563 12.421 1.00 29.12 C ATOM 499 NZ LYS A 67 27.751 -12.865 12.947 1.00 35.01 N ATOM 0 H LYS A 67 30.266 -7.981 10.991 1.00 24.36 H new ATOM 0 HA LYS A 67 31.908 -10.059 10.630 1.00 26.44 H new ATOM 0 HB2 LYS A 67 29.365 -9.635 9.521 1.00 26.05 H new ATOM 0 HB3 LYS A 67 30.139 -10.988 9.467 1.00 26.05 H new ATOM 0 HG2 LYS A 67 29.913 -11.271 11.782 1.00 25.46 H new ATOM 0 HG3 LYS A 67 29.289 -9.849 11.931 1.00 25.46 H new ATOM 0 HD2 LYS A 67 27.410 -10.566 10.639 1.00 27.73 H new ATOM 0 HD3 LYS A 67 28.026 -11.997 10.567 1.00 27.73 H new ATOM 0 HE2 LYS A 67 27.445 -10.868 13.077 1.00 29.12 H new ATOM 0 HE3 LYS A 67 26.317 -11.599 12.285 1.00 29.12 H new ATOM 0 HZ1 LYS A 67 27.332 -13.047 13.711 1.00 35.01 H new ATOM 0 HZ2 LYS A 67 27.578 -13.506 12.354 1.00 35.01 H new ATOM 0 HZ3 LYS A 67 28.628 -12.825 13.092 1.00 35.01 H new ATOM 500 N PRO A 68 33.214 -9.182 8.660 1.00 29.83 N ATOM 501 CA PRO A 68 33.941 -8.805 7.442 1.00 30.56 C ATOM 502 C PRO A 68 33.305 -9.179 6.104 1.00 30.70 C ATOM 503 O PRO A 68 33.286 -8.367 5.180 1.00 30.05 O ATOM 504 CB PRO A 68 35.329 -9.428 7.651 1.00 31.17 C ATOM 505 CG PRO A 68 35.085 -10.538 8.624 1.00 32.68 C ATOM 506 CD PRO A 68 34.082 -9.951 9.571 1.00 29.71 C ATOM 0 HA PRO A 68 33.949 -7.840 7.346 1.00 30.56 H new ATOM 0 HB2 PRO A 68 35.698 -9.761 6.818 1.00 31.17 H new ATOM 0 HB3 PRO A 68 35.960 -8.780 8.002 1.00 31.17 H new ATOM 0 HG2 PRO A 68 34.741 -11.331 8.184 1.00 32.68 H new ATOM 0 HG3 PRO A 68 35.900 -10.799 9.081 1.00 32.68 H new ATOM 0 HD2 PRO A 68 33.590 -10.636 10.049 1.00 29.71 H new ATOM 0 HD3 PRO A 68 34.501 -9.385 10.238 1.00 29.71 H new ATOM 507 N ARG A 69 32.778 -10.391 5.995 1.00 33.11 N ATOM 508 CA ARG A 69 32.152 -10.803 4.746 1.00 35.38 C ATOM 509 C ARG A 69 30.823 -10.069 4.532 1.00 35.85 C ATOM 510 O ARG A 69 30.423 -9.821 3.385 1.00 37.16 O ATOM 511 CB ARG A 69 31.930 -12.315 4.729 1.00 38.39 C ATOM 512 CG ARG A 69 32.696 -13.079 5.793 1.00 44.04 C ATOM 513 CD ARG A 69 31.878 -13.187 7.085 1.00 49.27 C ATOM 514 NE ARG A 69 30.562 -13.783 6.834 1.00 53.68 N ATOM 515 CZ ARG A 69 29.691 -14.135 7.777 1.00 55.62 C ATOM 516 NH1 ARG A 69 29.987 -13.960 9.058 1.00 58.05 N ATOM 517 NH2 ARG A 69 28.517 -14.655 7.438 1.00 55.30 N ATOM 0 H ARG A 69 32.771 -10.981 6.620 1.00 33.11 H new ATOM 0 HA ARG A 69 32.751 -10.569 4.019 1.00 35.38 H new ATOM 0 HB2 ARG A 69 30.983 -12.492 4.840 1.00 38.39 H new ATOM 0 HB3 ARG A 69 32.183 -12.657 3.857 1.00 38.39 H new ATOM 0 HG2 ARG A 69 32.911 -13.967 5.467 1.00 44.04 H new ATOM 0 HG3 ARG A 69 33.537 -12.632 5.975 1.00 44.04 H new ATOM 0 HD2 ARG A 69 32.361 -13.725 7.732 1.00 49.27 H new ATOM 0 HD3 ARG A 69 31.767 -12.306 7.475 1.00 49.27 H new ATOM 0 HE ARG A 69 30.336 -13.915 6.015 1.00 53.68 H new ATOM 0 HH11 ARG A 69 30.744 -13.618 9.282 1.00 58.05 H new ATOM 0 HH12 ARG A 69 29.422 -14.188 9.665 1.00 58.05 H new ATOM 0 HH21 ARG A 69 28.319 -14.765 6.608 1.00 55.30 H new ATOM 0 HH22 ARG A 69 27.955 -14.882 8.048 1.00 55.30 H new ATOM 518 N VAL A 70 30.147 -9.718 5.631 1.00 32.87 N ATOM 519 CA VAL A 70 28.880 -8.995 5.553 1.00 29.92 C ATOM 520 C VAL A 70 29.150 -7.558 5.098 1.00 30.40 C ATOM 521 O VAL A 70 28.488 -7.047 4.192 1.00 29.17 O ATOM 522 CB VAL A 70 28.144 -8.974 6.928 1.00 30.33 C ATOM 523 CG1 VAL A 70 26.893 -8.100 6.849 1.00 29.46 C ATOM 524 CG2 VAL A 70 27.754 -10.384 7.341 1.00 27.50 C ATOM 0 H VAL A 70 30.409 -9.891 6.432 1.00 32.87 H new ATOM 0 HA VAL A 70 28.309 -9.452 4.916 1.00 29.92 H new ATOM 0 HB VAL A 70 28.748 -8.604 7.591 1.00 30.33 H new ATOM 0 HG11 VAL A 70 26.446 -8.096 7.710 1.00 29.46 H new ATOM 0 HG12 VAL A 70 27.145 -7.194 6.612 1.00 29.46 H new ATOM 0 HG13 VAL A 70 26.292 -8.454 6.175 1.00 29.46 H new ATOM 0 HG21 VAL A 70 27.298 -10.356 8.197 1.00 27.50 H new ATOM 0 HG22 VAL A 70 27.164 -10.766 6.673 1.00 27.50 H new ATOM 0 HG23 VAL A 70 28.551 -10.931 7.418 1.00 27.50 H new ATOM 525 N ALA A 71 30.131 -6.912 5.723 1.00 30.56 N ATOM 526 CA ALA A 71 30.487 -5.542 5.370 1.00 30.35 C ATOM 527 C ALA A 71 30.928 -5.464 3.915 1.00 29.81 C ATOM 528 O ALA A 71 30.572 -4.535 3.194 1.00 29.88 O ATOM 529 CB ALA A 71 31.601 -5.041 6.280 1.00 30.69 C ATOM 0 H ALA A 71 30.604 -7.251 6.356 1.00 30.56 H new ATOM 0 HA ALA A 71 29.705 -4.980 5.487 1.00 30.35 H new ATOM 0 HB1 ALA A 71 31.831 -4.130 6.039 1.00 30.69 H new ATOM 0 HB2 ALA A 71 31.301 -5.065 7.202 1.00 30.69 H new ATOM 0 HB3 ALA A 71 32.381 -5.609 6.180 1.00 30.69 H new ATOM 530 N ALA A 72 31.714 -6.449 3.494 1.00 30.14 N ATOM 531 CA ALA A 72 32.207 -6.516 2.122 1.00 29.17 C ATOM 532 C ALA A 72 31.048 -6.664 1.122 1.00 28.97 C ATOM 533 O ALA A 72 31.042 -6.028 0.071 1.00 30.47 O ATOM 534 CB ALA A 72 33.185 -7.682 1.985 1.00 24.79 C ATOM 0 H ALA A 72 31.977 -7.097 3.995 1.00 30.14 H new ATOM 0 HA ALA A 72 32.667 -5.687 1.918 1.00 29.17 H new ATOM 0 HB1 ALA A 72 33.512 -7.725 1.073 1.00 24.79 H new ATOM 0 HB2 ALA A 72 33.932 -7.551 2.590 1.00 24.79 H new ATOM 0 HB3 ALA A 72 32.733 -8.511 2.206 1.00 24.79 H new ATOM 535 N ALA A 73 30.070 -7.500 1.457 1.00 28.31 N ATOM 536 CA ALA A 73 28.913 -7.721 0.597 1.00 29.05 C ATOM 537 C ALA A 73 28.026 -6.472 0.481 1.00 30.64 C ATOM 538 O ALA A 73 27.477 -6.185 -0.587 1.00 31.05 O ATOM 539 CB ALA A 73 28.097 -8.891 1.129 1.00 26.27 C ATOM 0 H ALA A 73 30.059 -7.954 2.187 1.00 28.31 H new ATOM 0 HA ALA A 73 29.243 -7.923 -0.293 1.00 29.05 H new ATOM 0 HB1 ALA A 73 27.328 -9.037 0.556 1.00 26.27 H new ATOM 0 HB2 ALA A 73 28.647 -9.690 1.141 1.00 26.27 H new ATOM 0 HB3 ALA A 73 27.796 -8.693 2.029 1.00 26.27 H new ATOM 540 N LEU A 74 27.893 -5.735 1.584 1.00 31.20 N ATOM 541 CA LEU A 74 27.073 -4.529 1.622 1.00 31.79 C ATOM 542 C LEU A 74 27.751 -3.353 0.933 1.00 34.23 C ATOM 543 O LEU A 74 27.099 -2.385 0.545 1.00 35.20 O ATOM 544 CB LEU A 74 26.746 -4.161 3.073 1.00 28.36 C ATOM 545 CG LEU A 74 25.946 -5.206 3.860 1.00 28.70 C ATOM 546 CD1 LEU A 74 25.788 -4.754 5.302 1.00 24.73 C ATOM 547 CD2 LEU A 74 24.586 -5.426 3.207 1.00 26.11 C ATOM 0 H LEU A 74 28.277 -5.922 2.331 1.00 31.20 H new ATOM 0 HA LEU A 74 26.254 -4.721 1.139 1.00 31.79 H new ATOM 0 HB2 LEU A 74 27.578 -3.994 3.542 1.00 28.36 H new ATOM 0 HB3 LEU A 74 26.248 -3.329 3.074 1.00 28.36 H new ATOM 0 HG LEU A 74 26.425 -6.049 3.852 1.00 28.70 H new ATOM 0 HD11 LEU A 74 25.282 -5.418 5.796 1.00 24.73 H new ATOM 0 HD12 LEU A 74 26.663 -4.649 5.706 1.00 24.73 H new ATOM 0 HD13 LEU A 74 25.318 -3.906 5.326 1.00 24.73 H new ATOM 0 HD21 LEU A 74 24.088 -6.088 3.711 1.00 26.11 H new ATOM 0 HD22 LEU A 74 24.093 -4.591 3.196 1.00 26.11 H new ATOM 0 HD23 LEU A 74 24.710 -5.740 2.298 1.00 26.11 H new ATOM 548 N ARG A 75 29.064 -3.435 0.777 1.00 37.63 N ATOM 549 CA ARG A 75 29.800 -2.361 0.130 1.00 41.76 C ATOM 550 C ARG A 75 29.970 -2.627 -1.364 1.00 45.13 C ATOM 551 O ARG A 75 30.548 -1.814 -2.083 1.00 45.99 O ATOM 552 CB ARG A 75 31.166 -2.186 0.799 1.00 40.68 C ATOM 553 CG ARG A 75 31.106 -1.561 2.187 1.00 40.55 C ATOM 554 CD ARG A 75 32.453 -1.670 2.869 1.00 41.04 C ATOM 555 NE ARG A 75 32.476 -1.081 4.206 1.00 40.53 N ATOM 556 CZ ARG A 75 33.436 -1.310 5.097 1.00 38.96 C ATOM 557 NH1 ARG A 75 34.441 -2.114 4.789 1.00 38.73 N ATOM 558 NH2 ARG A 75 33.396 -0.742 6.292 1.00 38.06 N ATOM 0 H ARG A 75 29.545 -4.099 1.037 1.00 37.63 H new ATOM 0 HA ARG A 75 29.290 -1.542 0.229 1.00 41.76 H new ATOM 0 HB2 ARG A 75 31.596 -3.053 0.864 1.00 40.68 H new ATOM 0 HB3 ARG A 75 31.725 -1.634 0.230 1.00 40.68 H new ATOM 0 HG2 ARG A 75 30.845 -0.629 2.118 1.00 40.55 H new ATOM 0 HG3 ARG A 75 30.429 -2.006 2.720 1.00 40.55 H new ATOM 0 HD2 ARG A 75 32.702 -2.605 2.931 1.00 41.04 H new ATOM 0 HD3 ARG A 75 33.123 -1.234 2.319 1.00 41.04 H new ATOM 0 HE ARG A 75 31.832 -0.556 4.429 1.00 40.53 H new ATOM 0 HH11 ARG A 75 34.472 -2.487 4.014 1.00 38.73 H new ATOM 0 HH12 ARG A 75 35.063 -2.264 5.363 1.00 38.73 H new ATOM 0 HH21 ARG A 75 32.745 -0.219 6.498 1.00 38.06 H new ATOM 0 HH22 ARG A 75 34.021 -0.896 6.862 1.00 38.06 H new ATOM 559 N GLY A 76 29.454 -3.761 -1.828 1.00 48.27 N ATOM 560 CA GLY A 76 29.569 -4.102 -3.234 1.00 52.55 C ATOM 561 C GLY A 76 30.971 -4.572 -3.561 1.00 55.86 C ATOM 562 O GLY A 76 31.348 -4.712 -4.727 1.00 56.11 O ATOM 0 H GLY A 76 29.038 -4.340 -1.347 1.00 48.27 H new ATOM 0 HA2 GLY A 76 28.930 -4.798 -3.456 1.00 52.55 H new ATOM 0 HA3 GLY A 76 29.347 -3.330 -3.778 1.00 52.55 H new ATOM 563 N GLU A 77 31.746 -4.814 -2.510 1.00 58.72 N ATOM 564 CA GLU A 77 33.122 -5.272 -2.636 1.00 61.10 C ATOM 565 C GLU A 77 33.166 -6.652 -3.298 1.00 62.85 C ATOM 566 O GLU A 77 32.113 -7.095 -3.811 1.00 63.97 O ATOM 567 CB GLU A 77 33.770 -5.340 -1.250 1.00 61.52 C ATOM 568 CG GLU A 77 33.591 -4.078 -0.409 1.00 61.98 C ATOM 569 CD GLU A 77 34.606 -2.994 -0.726 1.00 62.42 C ATOM 570 OE1 GLU A 77 35.804 -3.214 -0.456 1.00 63.25 O ATOM 571 OE2 GLU A 77 34.209 -1.924 -1.239 1.00 62.18 O ATOM 0 H GLU A 77 31.485 -4.716 -1.697 1.00 58.72 H new ATOM 0 HA GLU A 77 33.612 -4.645 -3.191 1.00 61.10 H new ATOM 0 HB2 GLU A 77 33.396 -6.094 -0.767 1.00 61.52 H new ATOM 0 HB3 GLU A 77 34.718 -5.513 -1.356 1.00 61.52 H new ATOM 0 HG2 GLU A 77 32.698 -3.727 -0.550 1.00 61.98 H new ATOM 0 HG3 GLU A 77 33.659 -4.311 0.530 1.00 61.98 H new TER 572 GLU A 77 ATOM 573 N CYS B 6 -0.628 17.842 18.405 1.00 54.36 N ATOM 574 CA CYS B 6 0.395 17.620 17.342 1.00 54.51 C ATOM 575 C CYS B 6 1.485 16.670 17.830 1.00 52.05 C ATOM 576 O CYS B 6 2.421 16.351 17.098 1.00 52.42 O ATOM 577 CB CYS B 6 1.021 18.949 16.915 1.00 57.71 C ATOM 578 SG CYS B 6 2.108 18.837 15.459 1.00 65.40 S ATOM 0 HA CYS B 6 -0.049 17.219 16.578 1.00 54.51 H new ATOM 0 HB2 CYS B 6 0.311 19.582 16.727 1.00 57.71 H new ATOM 0 HB3 CYS B 6 1.531 19.307 17.658 1.00 57.71 H new ATOM 0 HG CYS B 6 1.547 18.235 14.586 1.00 65.40 H new ATOM 579 N ALA B 7 1.376 16.241 19.082 1.00 49.08 N ATOM 580 CA ALA B 7 2.331 15.288 19.635 1.00 45.59 C ATOM 581 C ALA B 7 1.663 13.928 19.424 1.00 43.35 C ATOM 582 O ALA B 7 2.308 12.883 19.409 1.00 41.70 O ATOM 583 CB ALA B 7 2.553 15.557 21.116 1.00 44.25 C ATOM 0 H ALA B 7 0.758 16.488 19.627 1.00 49.08 H new ATOM 0 HA ALA B 7 3.203 15.342 19.214 1.00 45.59 H new ATOM 0 HB1 ALA B 7 3.190 14.916 21.470 1.00 44.25 H new ATOM 0 HB2 ALA B 7 2.900 16.455 21.234 1.00 44.25 H new ATOM 0 HB3 ALA B 7 1.711 15.471 21.590 1.00 44.25 H new ATOM 584 N TYR B 8 0.349 13.985 19.238 1.00 41.93 N ATOM 585 CA TYR B 8 -0.494 12.821 19.003 1.00 39.57 C ATOM 586 C TYR B 8 -0.227 12.226 17.620 1.00 39.39 C ATOM 587 O TYR B 8 -0.220 11.012 17.447 1.00 38.95 O ATOM 588 CB TYR B 8 -1.962 13.232 19.103 1.00 36.64 C ATOM 589 CG TYR B 8 -2.932 12.097 18.915 1.00 34.52 C ATOM 590 CD1 TYR B 8 -3.243 11.246 19.968 1.00 33.02 C ATOM 591 CD2 TYR B 8 -3.522 11.857 17.676 1.00 33.38 C ATOM 592 CE1 TYR B 8 -4.118 10.182 19.796 1.00 33.32 C ATOM 593 CE2 TYR B 8 -4.401 10.794 17.491 1.00 31.46 C ATOM 594 CZ TYR B 8 -4.695 9.959 18.554 1.00 32.41 C ATOM 595 OH TYR B 8 -5.558 8.894 18.385 1.00 33.72 O ATOM 0 H TYR B 8 -0.089 14.725 19.245 1.00 41.93 H new ATOM 0 HA TYR B 8 -0.289 12.150 19.673 1.00 39.57 H new ATOM 0 HB2 TYR B 8 -2.116 13.636 19.971 1.00 36.64 H new ATOM 0 HB3 TYR B 8 -2.143 13.913 18.437 1.00 36.64 H new ATOM 0 HD1 TYR B 8 -2.859 11.391 20.802 1.00 33.02 H new ATOM 0 HD2 TYR B 8 -3.325 12.417 16.960 1.00 33.38 H new ATOM 0 HE1 TYR B 8 -4.317 9.621 20.511 1.00 33.32 H new ATOM 0 HE2 TYR B 8 -4.788 10.646 16.658 1.00 31.46 H new ATOM 0 HH TYR B 8 -5.832 8.878 17.591 1.00 33.72 H new ATOM 596 N GLU B 9 -0.021 13.089 16.633 1.00 39.11 N ATOM 597 CA GLU B 9 0.254 12.632 15.281 1.00 39.45 C ATOM 598 C GLU B 9 1.686 12.133 15.218 1.00 38.85 C ATOM 599 O GLU B 9 1.979 11.119 14.590 1.00 38.36 O ATOM 600 CB GLU B 9 0.050 13.771 14.272 1.00 42.57 C ATOM 601 CG GLU B 9 0.649 15.116 14.696 1.00 48.63 C ATOM 602 CD GLU B 9 1.445 15.798 13.583 1.00 51.28 C ATOM 603 OE1 GLU B 9 2.470 15.220 13.151 1.00 52.92 O ATOM 604 OE2 GLU B 9 1.049 16.907 13.147 1.00 51.12 O ATOM 0 H GLU B 9 -0.036 13.944 16.727 1.00 39.11 H new ATOM 0 HA GLU B 9 -0.358 11.915 15.053 1.00 39.45 H new ATOM 0 HB2 GLU B 9 0.441 13.509 13.424 1.00 42.57 H new ATOM 0 HB3 GLU B 9 -0.901 13.887 14.122 1.00 42.57 H new ATOM 0 HG2 GLU B 9 -0.066 15.706 14.983 1.00 48.63 H new ATOM 0 HG3 GLU B 9 1.228 14.979 15.462 1.00 48.63 H new ATOM 605 N LEU B 10 2.576 12.850 15.890 1.00 38.64 N ATOM 606 CA LEU B 10 3.980 12.488 15.913 1.00 39.23 C ATOM 607 C LEU B 10 4.163 11.083 16.483 1.00 37.83 C ATOM 608 O LEU B 10 4.986 10.301 15.995 1.00 37.77 O ATOM 609 CB LEU B 10 4.758 13.503 16.748 1.00 41.53 C ATOM 610 CG LEU B 10 6.264 13.266 16.802 1.00 45.85 C ATOM 611 CD1 LEU B 10 6.810 13.293 15.384 1.00 46.88 C ATOM 612 CD2 LEU B 10 6.939 14.325 17.666 1.00 48.16 C ATOM 0 H LEU B 10 2.383 13.555 16.342 1.00 38.64 H new ATOM 0 HA LEU B 10 4.321 12.494 15.005 1.00 39.23 H new ATOM 0 HB2 LEU B 10 4.595 14.390 16.390 1.00 41.53 H new ATOM 0 HB3 LEU B 10 4.409 13.494 17.653 1.00 41.53 H new ATOM 0 HG LEU B 10 6.448 12.402 17.202 1.00 45.85 H new ATOM 0 HD11 LEU B 10 7.768 13.143 15.403 1.00 46.88 H new ATOM 0 HD12 LEU B 10 6.385 12.596 14.860 1.00 46.88 H new ATOM 0 HD13 LEU B 10 6.626 14.157 14.983 1.00 46.88 H new ATOM 0 HD21 LEU B 10 7.895 14.162 17.691 1.00 48.16 H new ATOM 0 HD22 LEU B 10 6.771 15.204 17.291 1.00 48.16 H new ATOM 0 HD23 LEU B 10 6.581 14.285 18.567 1.00 48.16 H new ATOM 613 N ILE B 11 3.388 10.765 17.513 1.00 34.58 N ATOM 614 CA ILE B 11 3.463 9.456 18.142 1.00 34.23 C ATOM 615 C ILE B 11 2.718 8.419 17.312 1.00 33.02 C ATOM 616 O ILE B 11 3.171 7.285 17.152 1.00 33.38 O ATOM 617 CB ILE B 11 2.886 9.517 19.572 1.00 33.30 C ATOM 618 CG1 ILE B 11 3.892 10.227 20.477 1.00 33.82 C ATOM 619 CG2 ILE B 11 2.572 8.125 20.084 1.00 31.79 C ATOM 620 CD1 ILE B 11 3.335 10.667 21.818 1.00 36.80 C ATOM 0 H ILE B 11 2.810 11.297 17.863 1.00 34.58 H new ATOM 0 HA ILE B 11 4.395 9.192 18.194 1.00 34.23 H new ATOM 0 HB ILE B 11 2.053 10.015 19.569 1.00 33.30 H new ATOM 0 HG12 ILE B 11 4.645 9.635 20.631 1.00 33.82 H new ATOM 0 HG13 ILE B 11 4.235 11.006 20.011 1.00 33.82 H new ATOM 0 HG21 ILE B 11 2.211 8.184 20.982 1.00 31.79 H new ATOM 0 HG22 ILE B 11 1.920 7.705 19.501 1.00 31.79 H new ATOM 0 HG23 ILE B 11 3.384 7.594 20.096 1.00 31.79 H new ATOM 0 HD11 ILE B 11 4.032 11.107 22.330 1.00 36.80 H new ATOM 0 HD12 ILE B 11 2.600 11.284 21.677 1.00 36.80 H new ATOM 0 HD13 ILE B 11 3.016 9.892 22.306 1.00 36.80 H new ATOM 621 N LYS B 12 1.581 8.827 16.767 1.00 32.68 N ATOM 622 CA LYS B 12 0.764 7.943 15.955 1.00 32.74 C ATOM 623 C LYS B 12 1.491 7.467 14.703 1.00 31.59 C ATOM 624 O LYS B 12 1.280 6.344 14.251 1.00 30.42 O ATOM 625 CB LYS B 12 -0.538 8.649 15.558 1.00 34.13 C ATOM 626 CG LYS B 12 -1.494 7.771 14.751 1.00 38.43 C ATOM 627 CD LYS B 12 -2.899 8.355 14.702 1.00 40.39 C ATOM 628 CE LYS B 12 -3.841 7.461 13.910 1.00 41.13 C ATOM 629 NZ LYS B 12 -5.236 7.988 13.908 1.00 42.43 N ATOM 0 H LYS B 12 1.263 9.621 16.857 1.00 32.68 H new ATOM 0 HA LYS B 12 0.567 7.161 16.494 1.00 32.74 H new ATOM 0 HB2 LYS B 12 -0.990 8.951 16.361 1.00 34.13 H new ATOM 0 HB3 LYS B 12 -0.322 9.440 15.039 1.00 34.13 H new ATOM 0 HG2 LYS B 12 -1.155 7.670 13.848 1.00 38.43 H new ATOM 0 HG3 LYS B 12 -1.526 6.884 15.143 1.00 38.43 H new ATOM 0 HD2 LYS B 12 -3.237 8.466 15.604 1.00 40.39 H new ATOM 0 HD3 LYS B 12 -2.871 9.237 14.299 1.00 40.39 H new ATOM 0 HE2 LYS B 12 -3.523 7.385 12.997 1.00 41.13 H new ATOM 0 HE3 LYS B 12 -3.833 6.568 14.288 1.00 41.13 H new ATOM 0 HZ1 LYS B 12 -5.759 7.443 13.437 1.00 42.43 H new ATOM 0 HZ2 LYS B 12 -5.536 8.038 14.744 1.00 42.43 H new ATOM 0 HZ3 LYS B 12 -5.247 8.799 13.541 1.00 42.43 H new ATOM 630 N SER B 13 2.358 8.315 14.158 1.00 30.35 N ATOM 631 CA SER B 13 3.093 7.992 12.939 1.00 28.69 C ATOM 632 C SER B 13 4.364 7.164 13.141 1.00 28.08 C ATOM 633 O SER B 13 4.935 6.664 12.173 1.00 26.94 O ATOM 634 CB SER B 13 3.455 9.284 12.190 1.00 29.30 C ATOM 635 OG SER B 13 4.470 10.014 12.863 1.00 30.67 O ATOM 0 H SER B 13 2.536 9.091 14.483 1.00 30.35 H new ATOM 0 HA SER B 13 2.490 7.433 12.425 1.00 28.69 H new ATOM 0 HB2 SER B 13 3.753 9.066 11.293 1.00 29.30 H new ATOM 0 HB3 SER B 13 2.664 9.838 12.099 1.00 29.30 H new ATOM 0 HG SER B 13 4.370 9.933 13.693 1.00 30.67 H new ATOM 636 N LEU B 14 4.807 7.017 14.386 1.00 26.97 N ATOM 637 CA LEU B 14 6.022 6.260 14.659 1.00 28.30 C ATOM 638 C LEU B 14 6.106 4.885 14.003 1.00 27.22 C ATOM 639 O LEU B 14 7.000 4.638 13.199 1.00 27.67 O ATOM 640 CB LEU B 14 6.247 6.127 16.166 1.00 29.34 C ATOM 641 CG LEU B 14 6.705 7.427 16.827 1.00 33.22 C ATOM 642 CD1 LEU B 14 6.904 7.190 18.302 1.00 34.29 C ATOM 643 CD2 LEU B 14 8.004 7.919 16.184 1.00 32.97 C ATOM 0 H LEU B 14 4.422 7.345 15.081 1.00 26.97 H new ATOM 0 HA LEU B 14 6.728 6.784 14.248 1.00 28.30 H new ATOM 0 HB2 LEU B 14 5.423 5.832 16.585 1.00 29.34 H new ATOM 0 HB3 LEU B 14 6.910 5.438 16.328 1.00 29.34 H new ATOM 0 HG LEU B 14 6.027 8.110 16.701 1.00 33.22 H new ATOM 0 HD11 LEU B 14 7.195 8.013 18.726 1.00 34.29 H new ATOM 0 HD12 LEU B 14 6.068 6.900 18.699 1.00 34.29 H new ATOM 0 HD13 LEU B 14 7.578 6.504 18.432 1.00 34.29 H new ATOM 0 HD21 LEU B 14 8.285 8.744 16.611 1.00 32.97 H new ATOM 0 HD22 LEU B 14 8.695 7.247 16.294 1.00 32.97 H new ATOM 0 HD23 LEU B 14 7.857 8.079 15.239 1.00 32.97 H new ATOM 644 N PRO B 15 5.178 3.972 14.329 1.00 26.51 N ATOM 645 CA PRO B 15 5.248 2.642 13.710 1.00 26.11 C ATOM 646 C PRO B 15 5.375 2.637 12.185 1.00 25.88 C ATOM 647 O PRO B 15 6.092 1.813 11.620 1.00 27.81 O ATOM 648 CB PRO B 15 3.974 1.950 14.213 1.00 25.71 C ATOM 649 CG PRO B 15 3.070 3.082 14.598 1.00 25.43 C ATOM 650 CD PRO B 15 3.999 4.093 15.201 1.00 25.18 C ATOM 0 HA PRO B 15 6.062 2.180 13.963 1.00 26.11 H new ATOM 0 HB2 PRO B 15 3.575 1.396 13.523 1.00 25.71 H new ATOM 0 HB3 PRO B 15 4.160 1.371 14.969 1.00 25.71 H new ATOM 0 HG2 PRO B 15 2.603 3.442 13.828 1.00 25.43 H new ATOM 0 HG3 PRO B 15 2.394 2.797 15.232 1.00 25.43 H new ATOM 0 HD2 PRO B 15 3.624 4.987 15.185 1.00 25.18 H new ATOM 0 HD3 PRO B 15 4.208 3.890 16.126 1.00 25.18 H new ATOM 651 N ALA B 16 4.706 3.568 11.518 1.00 25.76 N ATOM 652 CA ALA B 16 4.774 3.636 10.062 1.00 25.87 C ATOM 653 C ALA B 16 6.155 4.081 9.571 1.00 25.32 C ATOM 654 O ALA B 16 6.625 3.640 8.521 1.00 24.38 O ATOM 655 CB ALA B 16 3.688 4.572 9.527 1.00 25.99 C ATOM 0 H ALA B 16 4.210 4.167 11.885 1.00 25.76 H new ATOM 0 HA ALA B 16 4.622 2.741 9.719 1.00 25.87 H new ATOM 0 HB1 ALA B 16 3.742 4.610 8.559 1.00 25.99 H new ATOM 0 HB2 ALA B 16 2.816 4.239 9.789 1.00 25.99 H new ATOM 0 HB3 ALA B 16 3.818 5.461 9.893 1.00 25.99 H new ATOM 656 N LYS B 17 6.802 4.955 10.331 1.00 25.35 N ATOM 657 CA LYS B 17 8.132 5.422 9.960 1.00 27.12 C ATOM 658 C LYS B 17 9.115 4.275 10.085 1.00 25.97 C ATOM 659 O LYS B 17 9.995 4.107 9.245 1.00 27.47 O ATOM 660 CB LYS B 17 8.575 6.575 10.862 1.00 28.45 C ATOM 661 CG LYS B 17 7.809 7.859 10.625 1.00 30.83 C ATOM 662 CD LYS B 17 8.170 8.906 11.651 1.00 32.84 C ATOM 663 CE LYS B 17 7.324 10.137 11.462 1.00 34.63 C ATOM 664 NZ LYS B 17 7.408 11.013 12.655 1.00 38.97 N ATOM 0 H LYS B 17 6.492 5.288 11.061 1.00 25.35 H new ATOM 0 HA LYS B 17 8.107 5.741 9.044 1.00 27.12 H new ATOM 0 HB2 LYS B 17 8.468 6.310 11.789 1.00 28.45 H new ATOM 0 HB3 LYS B 17 9.520 6.741 10.722 1.00 28.45 H new ATOM 0 HG2 LYS B 17 8.002 8.194 9.735 1.00 30.83 H new ATOM 0 HG3 LYS B 17 6.856 7.682 10.661 1.00 30.83 H new ATOM 0 HD2 LYS B 17 8.040 8.551 12.544 1.00 32.84 H new ATOM 0 HD3 LYS B 17 9.109 9.136 11.571 1.00 32.84 H new ATOM 0 HE2 LYS B 17 7.620 10.622 10.676 1.00 34.63 H new ATOM 0 HE3 LYS B 17 6.401 9.881 11.306 1.00 34.63 H new ATOM 0 HZ1 LYS B 17 6.735 11.595 12.644 1.00 38.97 H new ATOM 0 HZ2 LYS B 17 7.359 10.517 13.392 1.00 38.97 H new ATOM 0 HZ3 LYS B 17 8.181 11.454 12.646 1.00 38.97 H new ATOM 665 N LEU B 18 8.960 3.478 11.133 1.00 24.48 N ATOM 666 CA LEU B 18 9.855 2.354 11.330 1.00 25.20 C ATOM 667 C LEU B 18 9.616 1.308 10.268 1.00 25.85 C ATOM 668 O LEU B 18 10.533 0.606 9.872 1.00 25.15 O ATOM 669 CB LEU B 18 9.655 1.737 12.706 1.00 26.14 C ATOM 670 CG LEU B 18 9.949 2.648 13.893 1.00 25.59 C ATOM 671 CD1 LEU B 18 9.821 1.849 15.173 1.00 27.15 C ATOM 672 CD2 LEU B 18 11.335 3.230 13.767 1.00 26.50 C ATOM 0 H LEU B 18 8.351 3.570 11.733 1.00 24.48 H new ATOM 0 HA LEU B 18 10.767 2.679 11.264 1.00 25.20 H new ATOM 0 HB2 LEU B 18 8.737 1.432 12.774 1.00 26.14 H new ATOM 0 HB3 LEU B 18 10.221 0.952 12.775 1.00 26.14 H new ATOM 0 HG LEU B 18 9.313 3.381 13.910 1.00 25.59 H new ATOM 0 HD11 LEU B 18 10.007 2.423 15.933 1.00 27.15 H new ATOM 0 HD12 LEU B 18 8.920 1.498 15.247 1.00 27.15 H new ATOM 0 HD13 LEU B 18 10.454 1.114 15.161 1.00 27.15 H new ATOM 0 HD21 LEU B 18 11.514 3.808 14.525 1.00 26.50 H new ATOM 0 HD22 LEU B 18 11.987 2.512 13.747 1.00 26.50 H new ATOM 0 HD23 LEU B 18 11.397 3.745 12.947 1.00 26.50 H new ATOM 673 N GLU B 19 8.382 1.193 9.799 1.00 28.66 N ATOM 674 CA GLU B 19 8.122 0.205 8.777 1.00 30.19 C ATOM 675 C GLU B 19 8.764 0.645 7.469 1.00 31.82 C ATOM 676 O GLU B 19 9.208 -0.189 6.680 1.00 32.14 O ATOM 677 CB GLU B 19 6.629 -0.014 8.580 1.00 31.60 C ATOM 678 CG GLU B 19 6.367 -1.281 7.799 1.00 35.31 C ATOM 679 CD GLU B 19 4.919 -1.489 7.440 1.00 36.40 C ATOM 680 OE1 GLU B 19 4.063 -1.467 8.347 1.00 40.07 O ATOM 681 OE2 GLU B 19 4.641 -1.691 6.242 1.00 40.79 O ATOM 0 H GLU B 19 7.706 1.661 10.050 1.00 28.66 H new ATOM 0 HA GLU B 19 8.508 -0.638 9.063 1.00 30.19 H new ATOM 0 HB2 GLU B 19 6.189 -0.065 9.443 1.00 31.60 H new ATOM 0 HB3 GLU B 19 6.246 0.744 8.111 1.00 31.60 H new ATOM 0 HG2 GLU B 19 6.894 -1.263 6.985 1.00 35.31 H new ATOM 0 HG3 GLU B 19 6.674 -2.040 8.319 1.00 35.31 H new ATOM 682 N GLN B 20 8.821 1.954 7.243 1.00 32.52 N ATOM 683 CA GLN B 20 9.437 2.478 6.029 1.00 34.73 C ATOM 684 C GLN B 20 10.919 2.142 6.039 1.00 33.88 C ATOM 685 O GLN B 20 11.485 1.767 5.015 1.00 32.41 O ATOM 686 CB GLN B 20 9.263 3.995 5.934 1.00 38.68 C ATOM 687 CG GLN B 20 7.817 4.449 5.930 1.00 46.89 C ATOM 688 CD GLN B 20 7.657 5.904 5.518 1.00 52.02 C ATOM 689 OE1 GLN B 20 8.354 6.789 6.025 1.00 54.92 O ATOM 690 NE2 GLN B 20 6.728 6.159 4.598 1.00 53.39 N ATOM 0 H GLN B 20 8.511 2.553 7.777 1.00 32.52 H new ATOM 0 HA GLN B 20 9.003 2.072 5.262 1.00 34.73 H new ATOM 0 HB2 GLN B 20 9.721 4.411 6.681 1.00 38.68 H new ATOM 0 HB3 GLN B 20 9.694 4.311 5.125 1.00 38.68 H new ATOM 0 HG2 GLN B 20 7.308 3.888 5.324 1.00 46.89 H new ATOM 0 HG3 GLN B 20 7.441 4.325 6.815 1.00 46.89 H new ATOM 0 HE21 GLN B 20 6.262 5.516 4.268 1.00 53.39 H new ATOM 0 HE22 GLN B 20 6.594 6.967 4.334 1.00 53.39 H new ATOM 691 N LEU B 21 11.543 2.286 7.205 1.00 31.75 N ATOM 692 CA LEU B 21 12.956 1.979 7.353 1.00 31.43 C ATOM 693 C LEU B 21 13.209 0.506 7.096 1.00 30.41 C ATOM 694 O LEU B 21 14.177 0.142 6.428 1.00 29.96 O ATOM 695 CB LEU B 21 13.438 2.337 8.758 1.00 32.25 C ATOM 696 CG LEU B 21 13.492 3.841 9.028 1.00 34.20 C ATOM 697 CD1 LEU B 21 13.801 4.085 10.493 1.00 35.99 C ATOM 698 CD2 LEU B 21 14.544 4.487 8.126 1.00 34.06 C ATOM 0 H LEU B 21 11.161 2.562 7.924 1.00 31.75 H new ATOM 0 HA LEU B 21 13.447 2.506 6.703 1.00 31.43 H new ATOM 0 HB2 LEU B 21 12.850 1.921 9.408 1.00 32.25 H new ATOM 0 HB3 LEU B 21 14.322 1.961 8.893 1.00 32.25 H new ATOM 0 HG LEU B 21 12.632 4.243 8.828 1.00 34.20 H new ATOM 0 HD11 LEU B 21 13.835 5.040 10.662 1.00 35.99 H new ATOM 0 HD12 LEU B 21 13.108 3.684 11.041 1.00 35.99 H new ATOM 0 HD13 LEU B 21 14.658 3.687 10.714 1.00 35.99 H new ATOM 0 HD21 LEU B 21 14.577 5.441 8.299 1.00 34.06 H new ATOM 0 HD22 LEU B 21 15.412 4.096 8.310 1.00 34.06 H new ATOM 0 HD23 LEU B 21 14.311 4.335 7.197 1.00 34.06 H new ATOM 699 N ALA B 22 12.341 -0.346 7.627 1.00 29.27 N ATOM 700 CA ALA B 22 12.505 -1.775 7.427 1.00 28.42 C ATOM 701 C ALA B 22 12.451 -2.061 5.934 1.00 28.66 C ATOM 702 O ALA B 22 13.378 -2.633 5.380 1.00 28.51 O ATOM 703 CB ALA B 22 11.410 -2.548 8.158 1.00 27.25 C ATOM 0 H ALA B 22 11.659 -0.120 8.100 1.00 29.27 H new ATOM 0 HA ALA B 22 13.359 -2.061 7.787 1.00 28.42 H new ATOM 0 HB1 ALA B 22 11.534 -3.499 8.014 1.00 27.25 H new ATOM 0 HB2 ALA B 22 11.457 -2.356 9.108 1.00 27.25 H new ATOM 0 HB3 ALA B 22 10.542 -2.280 7.817 1.00 27.25 H new ATOM 704 N GLN B 23 11.366 -1.634 5.294 1.00 29.58 N ATOM 705 CA GLN B 23 11.155 -1.843 3.866 1.00 32.09 C ATOM 706 C GLN B 23 12.300 -1.363 2.982 1.00 32.67 C ATOM 707 O GLN B 23 12.766 -2.100 2.114 1.00 31.57 O ATOM 708 CB GLN B 23 9.856 -1.167 3.428 1.00 34.58 C ATOM 709 CG GLN B 23 8.613 -1.790 4.023 1.00 41.07 C ATOM 710 CD GLN B 23 7.361 -0.961 3.779 1.00 45.57 C ATOM 711 OE1 GLN B 23 7.245 0.175 4.253 1.00 47.80 O ATOM 712 NE2 GLN B 23 6.412 -1.529 3.038 1.00 47.64 N ATOM 0 H GLN B 23 10.725 -1.211 5.681 1.00 29.58 H new ATOM 0 HA GLN B 23 11.106 -2.804 3.746 1.00 32.09 H new ATOM 0 HB2 GLN B 23 9.889 -0.230 3.677 1.00 34.58 H new ATOM 0 HB3 GLN B 23 9.794 -1.201 2.461 1.00 34.58 H new ATOM 0 HG2 GLN B 23 8.488 -2.675 3.646 1.00 41.07 H new ATOM 0 HG3 GLN B 23 8.739 -1.904 4.978 1.00 41.07 H new ATOM 0 HE21 GLN B 23 6.528 -2.322 2.725 1.00 47.64 H new ATOM 0 HE22 GLN B 23 5.683 -1.103 2.873 1.00 47.64 H new ATOM 713 N GLU B 24 12.743 -0.128 3.189 1.00 34.15 N ATOM 714 CA GLU B 24 13.841 0.415 2.400 1.00 36.10 C ATOM 715 C GLU B 24 15.090 -0.435 2.526 1.00 34.93 C ATOM 716 O GLU B 24 15.731 -0.747 1.529 1.00 37.49 O ATOM 717 CB GLU B 24 14.160 1.838 2.838 1.00 40.11 C ATOM 718 CG GLU B 24 13.147 2.857 2.367 1.00 48.00 C ATOM 719 CD GLU B 24 13.222 4.147 3.158 1.00 52.42 C ATOM 720 OE1 GLU B 24 14.345 4.685 3.305 1.00 54.81 O ATOM 721 OE2 GLU B 24 12.160 4.620 3.628 1.00 53.47 O ATOM 0 H GLU B 24 12.423 0.410 3.779 1.00 34.15 H new ATOM 0 HA GLU B 24 13.557 0.414 1.473 1.00 36.10 H new ATOM 0 HB2 GLU B 24 14.211 1.867 3.806 1.00 40.11 H new ATOM 0 HB3 GLU B 24 15.036 2.084 2.501 1.00 40.11 H new ATOM 0 HG2 GLU B 24 13.295 3.047 1.427 1.00 48.00 H new ATOM 0 HG3 GLU B 24 12.255 2.484 2.444 1.00 48.00 H new ATOM 722 N THR B 25 15.435 -0.811 3.751 1.00 33.43 N ATOM 723 CA THR B 25 16.620 -1.624 3.984 1.00 32.34 C ATOM 724 C THR B 25 16.509 -3.009 3.361 1.00 32.61 C ATOM 725 O THR B 25 17.413 -3.447 2.647 1.00 32.68 O ATOM 726 CB THR B 25 16.910 -1.764 5.492 1.00 31.49 C ATOM 727 OG1 THR B 25 17.295 -0.491 6.014 1.00 33.01 O ATOM 728 CG2 THR B 25 18.040 -2.754 5.746 1.00 30.79 C ATOM 0 H THR B 25 14.996 -0.606 4.461 1.00 33.43 H new ATOM 0 HA THR B 25 17.355 -1.159 3.554 1.00 32.34 H new ATOM 0 HB THR B 25 16.106 -2.088 5.927 1.00 31.49 H new ATOM 0 HG1 THR B 25 16.609 -0.057 6.229 1.00 33.01 H new ATOM 0 HG21 THR B 25 18.202 -2.823 6.700 1.00 30.79 H new ATOM 0 HG22 THR B 25 17.793 -3.624 5.397 1.00 30.79 H new ATOM 0 HG23 THR B 25 18.846 -2.446 5.303 1.00 30.79 H new ATOM 729 N GLN B 26 15.399 -3.688 3.624 1.00 32.89 N ATOM 730 CA GLN B 26 15.174 -5.030 3.102 1.00 33.72 C ATOM 731 C GLN B 26 15.216 -5.013 1.588 1.00 33.08 C ATOM 732 O GLN B 26 15.696 -5.952 0.967 1.00 34.48 O ATOM 733 CB GLN B 26 13.832 -5.561 3.616 1.00 34.89 C ATOM 734 CG GLN B 26 13.696 -5.354 5.133 1.00 38.06 C ATOM 735 CD GLN B 26 12.361 -5.779 5.712 1.00 39.24 C ATOM 736 OE1 GLN B 26 12.406 -6.428 6.867 1.00 43.98 O flip ATOM 737 NE2 GLN B 26 11.301 -5.512 5.141 1.00 37.57 N flip ATOM 0 H GLN B 26 14.756 -3.385 4.109 1.00 32.89 H new ATOM 0 HA GLN B 26 15.877 -5.623 3.412 1.00 33.72 H new ATOM 0 HB2 GLN B 26 13.106 -5.108 3.159 1.00 34.89 H new ATOM 0 HB3 GLN B 26 13.754 -6.505 3.408 1.00 34.89 H new ATOM 0 HG2 GLN B 26 14.401 -5.849 5.579 1.00 38.06 H new ATOM 0 HG3 GLN B 26 13.838 -4.416 5.333 1.00 38.06 H new ATOM 0 HE21 GLN B 26 11.311 -5.089 4.392 1.00 37.57 H new ATOM 0 HE22 GLN B 26 10.552 -5.749 5.492 1.00 37.57 H new ATOM 738 N ALA B 27 14.744 -3.920 1.001 1.00 32.66 N ATOM 739 CA ALA B 27 14.728 -3.766 -0.449 1.00 32.10 C ATOM 740 C ALA B 27 16.115 -3.558 -1.065 1.00 32.53 C ATOM 741 O ALA B 27 16.498 -4.291 -1.975 1.00 31.25 O ATOM 742 CB ALA B 27 13.820 -2.615 -0.834 1.00 29.96 C ATOM 0 H ALA B 27 14.424 -3.247 1.431 1.00 32.66 H new ATOM 0 HA ALA B 27 14.392 -4.602 -0.807 1.00 32.10 H new ATOM 0 HB1 ALA B 27 13.813 -2.517 -1.799 1.00 29.96 H new ATOM 0 HB2 ALA B 27 12.920 -2.794 -0.521 1.00 29.96 H new ATOM 0 HB3 ALA B 27 14.146 -1.796 -0.429 1.00 29.96 H new ATOM 743 N THR B 28 16.868 -2.566 -0.586 1.00 33.40 N ATOM 744 CA THR B 28 18.197 -2.320 -1.154 1.00 35.63 C ATOM 745 C THR B 28 19.122 -3.514 -0.901 1.00 37.69 C ATOM 746 O THR B 28 20.075 -3.744 -1.647 1.00 39.64 O ATOM 747 CB THR B 28 18.875 -1.046 -0.588 1.00 33.13 C ATOM 748 OG1 THR B 28 19.534 -1.366 0.635 1.00 36.67 O ATOM 749 CG2 THR B 28 17.859 0.054 -0.340 1.00 30.35 C ATOM 0 H THR B 28 16.637 -2.036 0.051 1.00 33.40 H new ATOM 0 HA THR B 28 18.057 -2.190 -2.105 1.00 35.63 H new ATOM 0 HB THR B 28 19.517 -0.726 -1.241 1.00 33.13 H new ATOM 0 HG1 THR B 28 19.903 -0.677 0.943 1.00 36.67 H new ATOM 0 HG21 THR B 28 18.309 0.837 0.013 1.00 30.35 H new ATOM 0 HG22 THR B 28 17.419 0.283 -1.174 1.00 30.35 H new ATOM 0 HG23 THR B 28 17.198 -0.254 0.300 1.00 30.35 H new ATOM 750 N ILE B 29 18.845 -4.272 0.152 1.00 38.20 N ATOM 751 CA ILE B 29 19.644 -5.451 0.444 1.00 39.54 C ATOM 752 C ILE B 29 19.414 -6.471 -0.676 1.00 42.40 C ATOM 753 O ILE B 29 20.356 -7.046 -1.218 1.00 42.42 O ATOM 754 CB ILE B 29 19.237 -6.071 1.801 1.00 37.27 C ATOM 755 CG1 ILE B 29 19.922 -5.313 2.937 1.00 35.19 C ATOM 756 CG2 ILE B 29 19.595 -7.547 1.839 1.00 36.52 C ATOM 757 CD1 ILE B 29 19.587 -5.831 4.308 1.00 32.98 C ATOM 0 H ILE B 29 18.204 -4.122 0.705 1.00 38.20 H new ATOM 0 HA ILE B 29 20.580 -5.202 0.497 1.00 39.54 H new ATOM 0 HB ILE B 29 18.276 -5.995 1.912 1.00 37.27 H new ATOM 0 HG12 ILE B 29 20.883 -5.358 2.810 1.00 35.19 H new ATOM 0 HG13 ILE B 29 19.673 -4.377 2.885 1.00 35.19 H new ATOM 0 HG21 ILE B 29 19.334 -7.922 2.695 1.00 36.52 H new ATOM 0 HG22 ILE B 29 19.128 -8.012 1.127 1.00 36.52 H new ATOM 0 HG23 ILE B 29 20.552 -7.651 1.719 1.00 36.52 H new ATOM 0 HD11 ILE B 29 20.055 -5.305 4.976 1.00 32.98 H new ATOM 0 HD12 ILE B 29 18.631 -5.763 4.455 1.00 32.98 H new ATOM 0 HD13 ILE B 29 19.859 -6.759 4.379 1.00 32.98 H new ATOM 758 N GLN B 30 18.148 -6.672 -1.026 1.00 47.03 N ATOM 759 CA GLN B 30 17.767 -7.616 -2.070 1.00 49.29 C ATOM 760 C GLN B 30 18.258 -7.199 -3.453 1.00 50.00 C ATOM 761 O GLN B 30 18.302 -8.019 -4.367 1.00 49.57 O ATOM 762 CB GLN B 30 16.246 -7.799 -2.070 1.00 51.39 C ATOM 763 CG GLN B 30 15.707 -8.308 -0.730 1.00 55.49 C ATOM 764 CD GLN B 30 14.188 -8.369 -0.674 1.00 57.75 C ATOM 765 OE1 GLN B 30 13.551 -8.396 -1.841 1.00 59.13 O flip ATOM 766 NE2 GLN B 30 13.596 -8.399 0.409 1.00 59.12 N flip ATOM 0 H GLN B 30 17.484 -6.263 -0.663 1.00 47.03 H new ATOM 0 HA GLN B 30 18.199 -8.461 -1.869 1.00 49.29 H new ATOM 0 HB2 GLN B 30 15.823 -6.952 -2.283 1.00 51.39 H new ATOM 0 HB3 GLN B 30 16.000 -8.423 -2.770 1.00 51.39 H new ATOM 0 HG2 GLN B 30 16.066 -9.193 -0.560 1.00 55.49 H new ATOM 0 HG3 GLN B 30 16.027 -7.730 -0.020 1.00 55.49 H new ATOM 0 HE21 GLN B 30 14.042 -8.380 1.144 1.00 59.12 H new ATOM 0 HE22 GLN B 30 12.737 -8.439 0.429 1.00 59.12 H new ATOM 767 N THR B 31 18.631 -5.931 -3.613 1.00 51.10 N ATOM 768 CA THR B 31 19.142 -5.483 -4.903 1.00 53.13 C ATOM 769 C THR B 31 20.585 -5.969 -5.017 1.00 54.74 C ATOM 770 O THR B 31 21.233 -5.804 -6.051 1.00 54.91 O ATOM 771 CB THR B 31 19.123 -3.948 -5.054 1.00 52.53 C ATOM 772 OG1 THR B 31 20.134 -3.368 -4.224 1.00 53.58 O ATOM 773 CG2 THR B 31 17.763 -3.392 -4.670 1.00 53.41 C ATOM 0 H THR B 31 18.597 -5.327 -3.001 1.00 51.10 H new ATOM 0 HA THR B 31 18.572 -5.845 -5.600 1.00 53.13 H new ATOM 0 HB THR B 31 19.299 -3.725 -5.981 1.00 52.53 H new ATOM 0 HG1 THR B 31 20.045 -3.647 -3.437 1.00 53.58 H new ATOM 0 HG21 THR B 31 17.768 -2.427 -4.770 1.00 53.41 H new ATOM 0 HG22 THR B 31 17.083 -3.773 -5.247 1.00 53.41 H new ATOM 0 HG23 THR B 31 17.569 -3.620 -3.747 1.00 53.41 H new ATOM 774 N LEU B 32 21.084 -6.552 -3.931 1.00 55.49 N ATOM 775 CA LEU B 32 22.429 -7.101 -3.904 1.00 56.59 C ATOM 776 C LEU B 32 22.262 -8.598 -4.091 1.00 58.27 C ATOM 777 O LEU B 32 21.636 -9.270 -3.267 1.00 58.92 O ATOM 778 CB LEU B 32 23.107 -6.855 -2.553 1.00 56.05 C ATOM 779 CG LEU B 32 23.402 -5.441 -2.057 1.00 55.25 C ATOM 780 CD1 LEU B 32 24.075 -5.530 -0.696 1.00 53.96 C ATOM 781 CD2 LEU B 32 24.293 -4.710 -3.044 1.00 55.01 C ATOM 0 H LEU B 32 20.652 -6.639 -3.193 1.00 55.49 H new ATOM 0 HA LEU B 32 22.977 -6.687 -4.589 1.00 56.59 H new ATOM 0 HB2 LEU B 32 22.556 -7.282 -1.878 1.00 56.05 H new ATOM 0 HB3 LEU B 32 23.952 -7.330 -2.571 1.00 56.05 H new ATOM 0 HG LEU B 32 22.573 -4.943 -1.977 1.00 55.25 H new ATOM 0 HD11 LEU B 32 24.267 -4.637 -0.371 1.00 53.96 H new ATOM 0 HD12 LEU B 32 23.485 -5.981 -0.072 1.00 53.96 H new ATOM 0 HD13 LEU B 32 24.903 -6.029 -0.776 1.00 53.96 H new ATOM 0 HD21 LEU B 32 24.472 -3.815 -2.717 1.00 55.01 H new ATOM 0 HD22 LEU B 32 25.130 -5.191 -3.143 1.00 55.01 H new ATOM 0 HD23 LEU B 32 23.848 -4.657 -3.904 1.00 55.01 H new ATOM 782 N MET B 33 22.803 -9.128 -5.177 1.00 59.34 N ATOM 783 CA MET B 33 22.697 -10.556 -5.413 1.00 60.66 C ATOM 784 C MET B 33 23.888 -11.262 -4.784 1.00 59.75 C ATOM 785 O MET B 33 24.901 -11.522 -5.427 1.00 60.26 O ATOM 786 CB MET B 33 22.586 -10.827 -6.913 1.00 62.21 C ATOM 787 CG MET B 33 21.150 -10.642 -7.421 1.00 64.47 C ATOM 788 SD MET B 33 20.961 -9.681 -8.936 1.00 67.87 S ATOM 789 CE MET B 33 20.333 -8.128 -8.295 1.00 66.25 C ATOM 0 H MET B 33 23.229 -8.687 -5.780 1.00 59.34 H new ATOM 0 HA MET B 33 21.894 -10.907 -4.998 1.00 60.66 H new ATOM 0 HB2 MET B 33 23.179 -10.229 -7.394 1.00 62.21 H new ATOM 0 HB3 MET B 33 22.882 -11.732 -7.101 1.00 62.21 H new ATOM 0 HG2 MET B 33 20.762 -11.519 -7.566 1.00 64.47 H new ATOM 0 HG3 MET B 33 20.632 -10.214 -6.722 1.00 64.47 H new ATOM 0 HE1 MET B 33 20.537 -7.414 -8.919 1.00 66.25 H new ATOM 0 HE2 MET B 33 19.372 -8.190 -8.179 1.00 66.25 H new ATOM 0 HE3 MET B 33 20.750 -7.939 -7.440 1.00 66.25 H new ATOM 790 N ILE B 34 23.742 -11.551 -3.498 1.00 58.86 N ATOM 791 CA ILE B 34 24.775 -12.203 -2.713 1.00 57.31 C ATOM 792 C ILE B 34 24.676 -13.721 -2.803 1.00 57.10 C ATOM 793 O ILE B 34 23.582 -14.288 -2.793 1.00 56.37 O ATOM 794 CB ILE B 34 24.678 -11.747 -1.243 1.00 57.19 C ATOM 795 CG1 ILE B 34 24.911 -10.235 -1.174 1.00 56.82 C ATOM 796 CG2 ILE B 34 25.687 -12.489 -0.383 1.00 57.49 C ATOM 797 CD1 ILE B 34 24.817 -9.650 0.214 1.00 56.57 C ATOM 0 H ILE B 34 23.029 -11.371 -3.052 1.00 58.86 H new ATOM 0 HA ILE B 34 25.637 -11.945 -3.076 1.00 57.31 H new ATOM 0 HB ILE B 34 23.794 -11.951 -0.899 1.00 57.19 H new ATOM 0 HG12 ILE B 34 25.789 -10.038 -1.537 1.00 56.82 H new ATOM 0 HG13 ILE B 34 24.262 -9.793 -1.744 1.00 56.82 H new ATOM 0 HG21 ILE B 34 25.611 -12.189 0.536 1.00 57.49 H new ATOM 0 HG22 ILE B 34 25.512 -13.442 -0.428 1.00 57.49 H new ATOM 0 HG23 ILE B 34 26.583 -12.310 -0.708 1.00 57.49 H new ATOM 0 HD11 ILE B 34 24.976 -8.694 0.174 1.00 56.57 H new ATOM 0 HD12 ILE B 34 23.932 -9.816 0.576 1.00 56.57 H new ATOM 0 HD13 ILE B 34 25.482 -10.064 0.786 1.00 56.57 H new ATOM 798 N ALA B 35 25.836 -14.368 -2.890 1.00 56.72 N ATOM 799 CA ALA B 35 25.918 -15.820 -3.006 1.00 55.89 C ATOM 800 C ALA B 35 26.191 -16.526 -1.682 1.00 55.01 C ATOM 801 O ALA B 35 25.552 -17.530 -1.375 1.00 56.17 O ATOM 802 CB ALA B 35 26.996 -16.198 -4.027 1.00 56.12 C ATOM 0 H ALA B 35 26.601 -13.974 -2.883 1.00 56.72 H new ATOM 0 HA ALA B 35 25.045 -16.122 -3.303 1.00 55.89 H new ATOM 0 HB1 ALA B 35 27.047 -17.164 -4.101 1.00 56.12 H new ATOM 0 HB2 ALA B 35 26.771 -15.819 -4.891 1.00 56.12 H new ATOM 0 HB3 ALA B 35 27.854 -15.850 -3.736 1.00 56.12 H new ATOM 803 N ASP B 36 27.140 -16.017 -0.903 1.00 52.04 N ATOM 804 CA ASP B 36 27.459 -16.643 0.372 1.00 50.53 C ATOM 805 C ASP B 36 26.203 -16.849 1.219 1.00 50.26 C ATOM 806 O ASP B 36 25.680 -15.910 1.820 1.00 49.46 O ATOM 807 CB ASP B 36 28.464 -15.797 1.150 1.00 50.33 C ATOM 808 CG ASP B 36 28.821 -16.410 2.489 1.00 51.00 C ATOM 809 OD1 ASP B 36 27.899 -16.685 3.279 1.00 52.08 O ATOM 810 OD2 ASP B 36 30.019 -16.616 2.762 1.00 52.91 O ATOM 0 H ASP B 36 27.605 -15.319 -1.092 1.00 52.04 H new ATOM 0 HA ASP B 36 27.849 -17.510 0.180 1.00 50.53 H new ATOM 0 HB2 ASP B 36 29.270 -15.689 0.621 1.00 50.33 H new ATOM 0 HB3 ASP B 36 28.096 -14.910 1.291 1.00 50.33 H new ATOM 811 N PRO B 37 25.708 -18.091 1.281 1.00 50.10 N ATOM 812 CA PRO B 37 24.508 -18.421 2.058 1.00 49.27 C ATOM 813 C PRO B 37 24.595 -18.030 3.535 1.00 48.02 C ATOM 814 O PRO B 37 23.573 -17.837 4.198 1.00 46.45 O ATOM 815 CB PRO B 37 24.376 -19.930 1.858 1.00 49.44 C ATOM 816 CG PRO B 37 25.799 -20.370 1.628 1.00 50.23 C ATOM 817 CD PRO B 37 26.302 -19.307 0.698 1.00 50.28 C ATOM 0 HA PRO B 37 23.732 -17.922 1.758 1.00 49.27 H new ATOM 0 HB2 PRO B 37 23.988 -20.362 2.635 1.00 49.44 H new ATOM 0 HB3 PRO B 37 23.808 -20.143 1.101 1.00 49.44 H new ATOM 0 HG2 PRO B 37 26.308 -20.402 2.453 1.00 50.23 H new ATOM 0 HG3 PRO B 37 25.847 -21.254 1.231 1.00 50.23 H new ATOM 0 HD2 PRO B 37 27.271 -19.267 0.682 1.00 50.28 H new ATOM 0 HD3 PRO B 37 26.009 -19.454 -0.215 1.00 50.28 H new ATOM 818 N ASN B 38 25.816 -17.914 4.044 1.00 46.75 N ATOM 819 CA ASN B 38 26.025 -17.543 5.437 1.00 46.84 C ATOM 820 C ASN B 38 25.749 -16.055 5.639 1.00 45.57 C ATOM 821 O ASN B 38 25.143 -15.655 6.634 1.00 44.16 O ATOM 822 CB ASN B 38 27.458 -17.865 5.858 1.00 49.83 C ATOM 823 CG ASN B 38 27.826 -19.314 5.607 1.00 51.93 C ATOM 824 OD1 ASN B 38 27.171 -20.229 6.114 1.00 52.82 O ATOM 825 ND2 ASN B 38 28.881 -19.532 4.823 1.00 51.64 N ATOM 0 H ASN B 38 26.539 -18.046 3.597 1.00 46.75 H new ATOM 0 HA ASN B 38 25.410 -18.053 5.987 1.00 46.84 H new ATOM 0 HB2 ASN B 38 28.071 -17.290 5.373 1.00 49.83 H new ATOM 0 HB3 ASN B 38 27.567 -17.665 6.801 1.00 49.83 H new ATOM 0 HD21 ASN B 38 29.131 -20.337 4.652 1.00 51.64 H new ATOM 0 HD22 ASN B 38 29.312 -18.868 4.488 1.00 51.64 H new ATOM 826 N VAL B 39 26.199 -15.237 4.692 1.00 43.94 N ATOM 827 CA VAL B 39 25.982 -13.800 4.767 1.00 42.64 C ATOM 828 C VAL B 39 24.487 -13.534 4.591 1.00 42.70 C ATOM 829 O VAL B 39 23.903 -12.705 5.286 1.00 41.58 O ATOM 830 CB VAL B 39 26.781 -13.058 3.666 1.00 41.83 C ATOM 831 CG1 VAL B 39 26.499 -11.569 3.716 1.00 42.41 C ATOM 832 CG2 VAL B 39 28.262 -13.295 3.857 1.00 42.99 C ATOM 0 H VAL B 39 26.633 -15.497 3.997 1.00 43.94 H new ATOM 0 HA VAL B 39 26.289 -13.472 5.627 1.00 42.64 H new ATOM 0 HB VAL B 39 26.505 -13.402 2.802 1.00 41.83 H new ATOM 0 HG11 VAL B 39 27.006 -11.120 3.022 1.00 42.41 H new ATOM 0 HG12 VAL B 39 25.552 -11.414 3.576 1.00 42.41 H new ATOM 0 HG13 VAL B 39 26.759 -11.219 4.583 1.00 42.41 H new ATOM 0 HG21 VAL B 39 28.756 -12.828 3.165 1.00 42.99 H new ATOM 0 HG22 VAL B 39 28.533 -12.964 4.727 1.00 42.99 H new ATOM 0 HG23 VAL B 39 28.448 -14.245 3.801 1.00 42.99 H new ATOM 833 N ASN B 40 23.869 -14.264 3.670 1.00 42.91 N ATOM 834 CA ASN B 40 22.451 -14.106 3.399 1.00 43.48 C ATOM 835 C ASN B 40 21.589 -14.534 4.572 1.00 43.65 C ATOM 836 O ASN B 40 20.459 -14.075 4.715 1.00 42.61 O ATOM 837 CB ASN B 40 22.073 -14.886 2.147 1.00 45.12 C ATOM 838 CG ASN B 40 22.712 -14.310 0.908 1.00 48.12 C ATOM 839 OD1 ASN B 40 22.504 -13.139 0.578 1.00 48.49 O ATOM 840 ND2 ASN B 40 23.508 -15.120 0.218 1.00 50.04 N ATOM 0 H ASN B 40 24.259 -14.861 3.189 1.00 42.91 H new ATOM 0 HA ASN B 40 22.284 -13.161 3.255 1.00 43.48 H new ATOM 0 HB2 ASN B 40 22.344 -15.812 2.249 1.00 45.12 H new ATOM 0 HB3 ASN B 40 21.109 -14.883 2.044 1.00 45.12 H new ATOM 0 HD21 ASN B 40 23.903 -14.834 -0.490 1.00 50.04 H new ATOM 0 HD22 ASN B 40 23.628 -15.930 0.480 1.00 50.04 H new ATOM 841 N LYS B 41 22.115 -15.418 5.411 1.00 43.99 N ATOM 842 CA LYS B 41 21.363 -15.845 6.577 1.00 43.66 C ATOM 843 C LYS B 41 21.440 -14.710 7.598 1.00 42.33 C ATOM 844 O LYS B 41 20.454 -14.395 8.268 1.00 41.70 O ATOM 845 CB LYS B 41 21.951 -17.118 7.186 1.00 46.37 C ATOM 846 CG LYS B 41 21.101 -17.660 8.329 1.00 49.62 C ATOM 847 CD LYS B 41 21.897 -18.523 9.294 1.00 52.45 C ATOM 848 CE LYS B 41 21.070 -18.842 10.539 1.00 53.62 C ATOM 849 NZ LYS B 41 21.877 -19.503 11.604 1.00 54.84 N ATOM 0 H LYS B 41 22.892 -15.776 5.324 1.00 43.99 H new ATOM 0 HA LYS B 41 20.447 -16.041 6.324 1.00 43.66 H new ATOM 0 HB2 LYS B 41 22.032 -17.796 6.497 1.00 46.37 H new ATOM 0 HB3 LYS B 41 22.846 -16.935 7.511 1.00 46.37 H new ATOM 0 HG2 LYS B 41 20.707 -16.918 8.814 1.00 49.62 H new ATOM 0 HG3 LYS B 41 20.369 -18.181 7.964 1.00 49.62 H new ATOM 0 HD2 LYS B 41 22.162 -19.347 8.856 1.00 52.45 H new ATOM 0 HD3 LYS B 41 22.712 -18.063 9.550 1.00 52.45 H new ATOM 0 HE2 LYS B 41 20.687 -18.022 10.889 1.00 53.62 H new ATOM 0 HE3 LYS B 41 20.330 -19.418 10.293 1.00 53.62 H new ATOM 0 HZ1 LYS B 41 21.359 -19.671 12.308 1.00 54.84 H new ATOM 0 HZ2 LYS B 41 22.210 -20.267 11.293 1.00 54.84 H new ATOM 0 HZ3 LYS B 41 22.544 -18.966 11.848 1.00 54.84 H new ATOM 850 N ASP B 42 22.619 -14.099 7.703 1.00 39.67 N ATOM 851 CA ASP B 42 22.832 -12.993 8.632 1.00 37.90 C ATOM 852 C ASP B 42 21.950 -11.803 8.280 1.00 34.12 C ATOM 853 O ASP B 42 21.290 -11.237 9.147 1.00 32.43 O ATOM 854 CB ASP B 42 24.305 -12.549 8.635 1.00 40.99 C ATOM 855 CG ASP B 42 25.205 -13.496 9.413 1.00 43.11 C ATOM 856 OD1 ASP B 42 24.869 -13.827 10.571 1.00 44.70 O ATOM 857 OD2 ASP B 42 26.254 -13.901 8.869 1.00 44.33 O ATOM 0 H ASP B 42 23.312 -14.313 7.241 1.00 39.67 H new ATOM 0 HA ASP B 42 22.595 -13.313 9.517 1.00 37.90 H new ATOM 0 HB2 ASP B 42 24.622 -12.487 7.720 1.00 40.99 H new ATOM 0 HB3 ASP B 42 24.370 -11.660 9.018 1.00 40.99 H new ATOM 858 N LEU B 43 21.945 -11.427 7.006 1.00 30.22 N ATOM 859 CA LEU B 43 21.143 -10.304 6.546 1.00 28.72 C ATOM 860 C LEU B 43 19.642 -10.547 6.714 1.00 27.99 C ATOM 861 O LEU B 43 18.885 -9.627 7.010 1.00 27.16 O ATOM 862 CB LEU B 43 21.464 -10.002 5.082 1.00 26.16 C ATOM 863 CG LEU B 43 22.900 -9.554 4.797 1.00 26.40 C ATOM 864 CD1 LEU B 43 23.083 -9.357 3.304 1.00 24.52 C ATOM 865 CD2 LEU B 43 23.205 -8.268 5.548 1.00 26.27 C ATOM 0 H LEU B 43 22.403 -11.813 6.389 1.00 30.22 H new ATOM 0 HA LEU B 43 21.372 -9.541 7.099 1.00 28.72 H new ATOM 0 HB2 LEU B 43 21.280 -10.797 4.557 1.00 26.16 H new ATOM 0 HB3 LEU B 43 20.859 -9.310 4.771 1.00 26.16 H new ATOM 0 HG LEU B 43 23.517 -10.238 5.101 1.00 26.40 H new ATOM 0 HD11 LEU B 43 23.993 -9.073 3.124 1.00 24.52 H new ATOM 0 HD12 LEU B 43 22.908 -10.193 2.843 1.00 24.52 H new ATOM 0 HD13 LEU B 43 22.465 -8.679 2.989 1.00 24.52 H new ATOM 0 HD21 LEU B 43 24.116 -7.992 5.361 1.00 26.27 H new ATOM 0 HD22 LEU B 43 22.592 -7.573 5.262 1.00 26.27 H new ATOM 0 HD23 LEU B 43 23.102 -8.417 6.501 1.00 26.27 H new ATOM 866 N ARG B 44 19.217 -11.790 6.523 1.00 28.72 N ATOM 867 CA ARG B 44 17.811 -12.143 6.660 1.00 28.46 C ATOM 868 C ARG B 44 17.410 -12.039 8.133 1.00 26.35 C ATOM 869 O ARG B 44 16.270 -11.720 8.455 1.00 25.69 O ATOM 870 CB ARG B 44 17.579 -13.564 6.145 1.00 32.30 C ATOM 871 CG ARG B 44 16.121 -13.945 6.009 1.00 38.88 C ATOM 872 CD ARG B 44 15.987 -15.400 5.596 1.00 46.51 C ATOM 873 NE ARG B 44 16.493 -16.303 6.630 1.00 52.60 N ATOM 874 CZ ARG B 44 16.619 -17.620 6.482 1.00 55.06 C ATOM 875 NH1 ARG B 44 16.276 -18.200 5.337 1.00 54.91 N ATOM 876 NH2 ARG B 44 17.094 -18.359 7.478 1.00 55.71 N ATOM 0 H ARG B 44 19.730 -12.447 6.312 1.00 28.72 H new ATOM 0 HA ARG B 44 17.268 -11.534 6.136 1.00 28.46 H new ATOM 0 HB2 ARG B 44 18.009 -13.658 5.281 1.00 32.30 H new ATOM 0 HB3 ARG B 44 18.011 -14.190 6.747 1.00 32.30 H new ATOM 0 HG2 ARG B 44 15.663 -13.799 6.852 1.00 38.88 H new ATOM 0 HG3 ARG B 44 15.692 -13.376 5.351 1.00 38.88 H new ATOM 0 HD2 ARG B 44 15.055 -15.602 5.417 1.00 46.51 H new ATOM 0 HD3 ARG B 44 16.473 -15.549 4.770 1.00 46.51 H new ATOM 0 HE ARG B 44 16.725 -15.960 7.384 1.00 52.60 H new ATOM 0 HH11 ARG B 44 15.971 -17.724 4.688 1.00 54.91 H new ATOM 0 HH12 ARG B 44 16.359 -19.051 5.244 1.00 54.91 H new ATOM 0 HH21 ARG B 44 17.321 -17.987 8.219 1.00 55.71 H new ATOM 0 HH22 ARG B 44 17.175 -19.210 7.382 1.00 55.71 H new ATOM 877 N ALA B 45 18.365 -12.308 9.017 1.00 24.11 N ATOM 878 CA ALA B 45 18.151 -12.224 10.459 1.00 23.93 C ATOM 879 C ALA B 45 18.040 -10.758 10.871 1.00 23.13 C ATOM 880 O ALA B 45 17.372 -10.420 11.845 1.00 22.31 O ATOM 881 CB ALA B 45 19.310 -12.882 11.200 1.00 22.26 C ATOM 0 H ALA B 45 19.161 -12.546 8.796 1.00 24.11 H new ATOM 0 HA ALA B 45 17.330 -12.688 10.687 1.00 23.93 H new ATOM 0 HB1 ALA B 45 19.159 -12.821 12.156 1.00 22.26 H new ATOM 0 HB2 ALA B 45 19.372 -13.815 10.941 1.00 22.26 H new ATOM 0 HB3 ALA B 45 20.137 -12.429 10.974 1.00 22.26 H new ATOM 882 N PHE B 46 18.704 -9.893 10.116 1.00 21.66 N ATOM 883 CA PHE B 46 18.667 -8.478 10.401 1.00 21.64 C ATOM 884 C PHE B 46 17.366 -7.865 9.899 1.00 21.68 C ATOM 885 O PHE B 46 16.831 -6.954 10.517 1.00 22.25 O ATOM 886 CB PHE B 46 19.857 -7.778 9.758 1.00 20.31 C ATOM 887 CG PHE B 46 19.947 -6.332 10.103 1.00 21.23 C ATOM 888 CD1 PHE B 46 20.273 -5.937 11.397 1.00 22.63 C ATOM 889 CD2 PHE B 46 19.675 -5.357 9.147 1.00 19.29 C ATOM 890 CE1 PHE B 46 20.327 -4.578 11.743 1.00 22.77 C ATOM 891 CE2 PHE B 46 19.723 -4.007 9.476 1.00 21.87 C ATOM 892 CZ PHE B 46 20.049 -3.612 10.778 1.00 22.47 C ATOM 0 H PHE B 46 19.181 -10.111 9.434 1.00 21.66 H new ATOM 0 HA PHE B 46 18.715 -8.359 11.362 1.00 21.64 H new ATOM 0 HB2 PHE B 46 20.674 -8.222 10.035 1.00 20.31 H new ATOM 0 HB3 PHE B 46 19.797 -7.871 8.794 1.00 20.31 H new ATOM 0 HD1 PHE B 46 20.458 -6.582 12.041 1.00 22.63 H new ATOM 0 HD2 PHE B 46 19.459 -5.612 8.279 1.00 19.29 H new ATOM 0 HE1 PHE B 46 20.547 -4.324 12.610 1.00 22.77 H new ATOM 0 HE2 PHE B 46 19.538 -3.365 8.829 1.00 21.87 H new ATOM 0 HZ PHE B 46 20.080 -2.709 10.998 1.00 22.47 H new ATOM 893 N CYS B 47 16.868 -8.361 8.771 1.00 22.37 N ATOM 894 CA CYS B 47 15.616 -7.861 8.213 1.00 23.89 C ATOM 895 C CYS B 47 14.474 -8.311 9.111 1.00 22.74 C ATOM 896 O CYS B 47 13.507 -7.594 9.303 1.00 22.50 O ATOM 897 CB CYS B 47 15.402 -8.393 6.797 1.00 25.01 C ATOM 898 SG CYS B 47 16.385 -7.575 5.530 1.00 33.59 S ATOM 0 H CYS B 47 17.239 -8.987 8.313 1.00 22.37 H new ATOM 0 HA CYS B 47 15.648 -6.893 8.168 1.00 23.89 H new ATOM 0 HB2 CYS B 47 15.607 -9.341 6.786 1.00 25.01 H new ATOM 0 HB3 CYS B 47 14.463 -8.303 6.569 1.00 25.01 H new ATOM 0 HG CYS B 47 16.147 -8.064 4.460 1.00 33.59 H new ATOM 899 N GLU B 48 14.597 -9.513 9.656 1.00 24.34 N ATOM 900 CA GLU B 48 13.593 -10.050 10.561 1.00 25.53 C ATOM 901 C GLU B 48 13.549 -9.108 11.761 1.00 24.53 C ATOM 902 O GLU B 48 12.473 -8.684 12.196 1.00 25.10 O ATOM 903 CB GLU B 48 13.993 -11.456 11.025 1.00 29.54 C ATOM 904 CG GLU B 48 13.730 -12.576 10.027 1.00 35.93 C ATOM 905 CD GLU B 48 14.403 -13.893 10.417 1.00 39.83 C ATOM 906 OE1 GLU B 48 14.602 -14.143 11.630 1.00 41.70 O ATOM 907 OE2 GLU B 48 14.725 -14.685 9.504 1.00 42.81 O ATOM 0 H GLU B 48 15.262 -10.039 9.512 1.00 24.34 H new ATOM 0 HA GLU B 48 12.729 -10.115 10.124 1.00 25.53 H new ATOM 0 HB2 GLU B 48 14.939 -11.452 11.240 1.00 29.54 H new ATOM 0 HB3 GLU B 48 13.516 -11.657 11.846 1.00 29.54 H new ATOM 0 HG2 GLU B 48 12.773 -12.717 9.951 1.00 35.93 H new ATOM 0 HG3 GLU B 48 14.047 -12.303 9.152 1.00 35.93 H new ATOM 908 N PHE B 49 14.736 -8.799 12.287 1.00 21.09 N ATOM 909 CA PHE B 49 14.875 -7.900 13.421 1.00 20.28 C ATOM 910 C PHE B 49 14.225 -6.550 13.116 1.00 20.36 C ATOM 911 O PHE B 49 13.618 -5.942 13.990 1.00 20.56 O ATOM 912 CB PHE B 49 16.351 -7.672 13.763 1.00 20.26 C ATOM 913 CG PHE B 49 16.576 -6.481 14.645 1.00 19.80 C ATOM 914 CD1 PHE B 49 16.307 -6.545 16.005 1.00 21.83 C ATOM 915 CD2 PHE B 49 16.947 -5.260 14.095 1.00 19.89 C ATOM 916 CE1 PHE B 49 16.394 -5.409 16.806 1.00 22.41 C ATOM 917 CE2 PHE B 49 17.036 -4.120 14.884 1.00 20.70 C ATOM 918 CZ PHE B 49 16.757 -4.193 16.240 1.00 23.04 C ATOM 0 H PHE B 49 15.482 -9.108 11.992 1.00 21.09 H new ATOM 0 HA PHE B 49 14.432 -8.314 14.178 1.00 20.28 H new ATOM 0 HB2 PHE B 49 16.701 -8.463 14.202 1.00 20.26 H new ATOM 0 HB3 PHE B 49 16.853 -7.558 12.941 1.00 20.26 H new ATOM 0 HD1 PHE B 49 16.065 -7.358 16.387 1.00 21.83 H new ATOM 0 HD2 PHE B 49 17.138 -5.205 13.187 1.00 19.89 H new ATOM 0 HE1 PHE B 49 16.210 -5.464 17.716 1.00 22.41 H new ATOM 0 HE2 PHE B 49 17.283 -3.308 14.503 1.00 20.70 H new ATOM 0 HZ PHE B 49 16.813 -3.430 16.769 1.00 23.04 H new ATOM 919 N LEU B 50 14.365 -6.078 11.883 1.00 19.25 N ATOM 920 CA LEU B 50 13.759 -4.808 11.512 1.00 21.97 C ATOM 921 C LEU B 50 12.231 -4.884 11.436 1.00 22.39 C ATOM 922 O LEU B 50 11.556 -3.909 11.741 1.00 23.23 O ATOM 923 CB LEU B 50 14.315 -4.302 10.176 1.00 22.45 C ATOM 924 CG LEU B 50 15.784 -3.863 10.124 1.00 22.59 C ATOM 925 CD1 LEU B 50 16.121 -3.461 8.713 1.00 22.75 C ATOM 926 CD2 LEU B 50 16.037 -2.705 11.070 1.00 21.85 C ATOM 0 H LEU B 50 14.801 -6.472 11.255 1.00 19.25 H new ATOM 0 HA LEU B 50 13.990 -4.182 12.216 1.00 21.97 H new ATOM 0 HB2 LEU B 50 14.192 -5.004 9.518 1.00 22.45 H new ATOM 0 HB3 LEU B 50 13.771 -3.550 9.894 1.00 22.45 H new ATOM 0 HG LEU B 50 16.347 -4.602 10.402 1.00 22.59 H new ATOM 0 HD11 LEU B 50 17.049 -3.181 8.669 1.00 22.75 H new ATOM 0 HD12 LEU B 50 15.983 -4.216 8.120 1.00 22.75 H new ATOM 0 HD13 LEU B 50 15.549 -2.727 8.440 1.00 22.75 H new ATOM 0 HD21 LEU B 50 16.970 -2.445 11.021 1.00 21.85 H new ATOM 0 HD22 LEU B 50 15.478 -1.953 10.818 1.00 21.85 H new ATOM 0 HD23 LEU B 50 15.825 -2.976 11.977 1.00 21.85 H new ATOM 927 N THR B 51 11.669 -6.024 11.043 1.00 22.98 N ATOM 928 CA THR B 51 10.216 -6.087 10.969 1.00 24.22 C ATOM 929 C THR B 51 9.642 -6.270 12.367 1.00 24.96 C ATOM 930 O THR B 51 8.585 -5.726 12.678 1.00 24.80 O ATOM 931 CB THR B 51 9.689 -7.223 10.038 1.00 25.43 C ATOM 932 OG1 THR B 51 9.380 -8.383 10.812 1.00 27.26 O ATOM 933 CG2 THR B 51 10.703 -7.573 8.988 1.00 21.70 C ATOM 0 H THR B 51 12.090 -6.742 10.824 1.00 22.98 H new ATOM 0 HA THR B 51 9.921 -5.248 10.581 1.00 24.22 H new ATOM 0 HB THR B 51 8.887 -6.904 9.596 1.00 25.43 H new ATOM 0 HG1 THR B 51 9.096 -8.990 10.306 1.00 27.26 H new ATOM 0 HG21 THR B 51 10.353 -8.280 8.423 1.00 21.70 H new ATOM 0 HG22 THR B 51 10.892 -6.791 8.447 1.00 21.70 H new ATOM 0 HG23 THR B 51 11.520 -7.875 9.415 1.00 21.70 H new ATOM 934 N VAL B 52 10.343 -7.028 13.210 1.00 25.60 N ATOM 935 CA VAL B 52 9.893 -7.242 14.582 1.00 24.28 C ATOM 936 C VAL B 52 10.005 -5.900 15.303 1.00 24.21 C ATOM 937 O VAL B 52 9.227 -5.597 16.209 1.00 24.33 O ATOM 938 CB VAL B 52 10.767 -8.285 15.324 1.00 25.10 C ATOM 939 CG1 VAL B 52 10.345 -8.380 16.782 1.00 25.69 C ATOM 940 CG2 VAL B 52 10.629 -9.640 14.671 1.00 24.68 C ATOM 0 H VAL B 52 11.078 -7.425 13.007 1.00 25.60 H new ATOM 0 HA VAL B 52 8.984 -7.581 14.572 1.00 24.28 H new ATOM 0 HB VAL B 52 11.693 -8.000 15.277 1.00 25.10 H new ATOM 0 HG11 VAL B 52 10.897 -9.035 17.237 1.00 25.69 H new ATOM 0 HG12 VAL B 52 10.453 -7.515 17.207 1.00 25.69 H new ATOM 0 HG13 VAL B 52 9.415 -8.651 16.833 1.00 25.69 H new ATOM 0 HG21 VAL B 52 11.180 -10.284 15.143 1.00 24.68 H new ATOM 0 HG22 VAL B 52 9.702 -9.922 14.704 1.00 24.68 H new ATOM 0 HG23 VAL B 52 10.917 -9.585 13.746 1.00 24.68 H new ATOM 941 N GLN B 53 10.970 -5.092 14.876 1.00 22.85 N ATOM 942 CA GLN B 53 11.187 -3.779 15.469 1.00 21.81 C ATOM 943 C GLN B 53 9.991 -2.843 15.281 1.00 22.22 C ATOM 944 O GLN B 53 9.565 -2.186 16.229 1.00 21.48 O ATOM 945 CB GLN B 53 12.434 -3.130 14.877 1.00 22.66 C ATOM 946 CG GLN B 53 12.742 -1.758 15.456 1.00 24.54 C ATOM 947 CD GLN B 53 14.003 -1.155 14.877 1.00 24.56 C ATOM 948 OE1 GLN B 53 14.093 -0.923 13.677 1.00 25.79 O ATOM 949 NE2 GLN B 53 14.985 -0.901 15.730 1.00 24.02 N ATOM 0 H GLN B 53 11.513 -5.288 14.239 1.00 22.85 H new ATOM 0 HA GLN B 53 11.304 -3.920 16.422 1.00 21.81 H new ATOM 0 HB2 GLN B 53 13.194 -3.713 15.026 1.00 22.66 H new ATOM 0 HB3 GLN B 53 12.322 -3.049 13.917 1.00 22.66 H new ATOM 0 HG2 GLN B 53 11.995 -1.163 15.286 1.00 24.54 H new ATOM 0 HG3 GLN B 53 12.834 -1.830 16.419 1.00 24.54 H new ATOM 0 HE21 GLN B 53 14.885 -1.077 16.566 1.00 24.02 H new ATOM 0 HE22 GLN B 53 15.722 -0.560 15.448 1.00 24.02 H new ATOM 950 N HIS B 54 9.444 -2.769 14.069 1.00 22.56 N ATOM 951 CA HIS B 54 8.303 -1.886 13.872 1.00 22.93 C ATOM 952 C HIS B 54 7.002 -2.458 14.440 1.00 20.68 C ATOM 953 O HIS B 54 6.063 -1.715 14.702 1.00 21.28 O ATOM 954 CB HIS B 54 8.160 -1.454 12.388 1.00 23.66 C ATOM 955 CG HIS B 54 7.728 -2.535 11.446 1.00 28.27 C ATOM 956 ND1 HIS B 54 8.435 -3.283 10.565 1.00 32.75 N flip ATOM 957 CD2 HIS B 54 6.407 -2.898 11.281 1.00 30.46 C flip ATOM 958 CE1 HIS B 54 7.537 -4.073 9.887 1.00 32.84 C flip ATOM 959 NE2 HIS B 54 6.320 -3.822 10.338 1.00 32.39 N flip ATOM 0 H HIS B 54 9.707 -3.203 13.375 1.00 22.56 H new ATOM 0 HA HIS B 54 8.484 -1.084 14.386 1.00 22.93 H new ATOM 0 HB2 HIS B 54 7.520 -0.727 12.338 1.00 23.66 H new ATOM 0 HB3 HIS B 54 9.012 -1.103 12.085 1.00 23.66 H new ATOM 0 HD2 HIS B 54 5.690 -2.548 11.758 1.00 30.46 H new ATOM 0 HE1 HIS B 54 7.751 -4.684 9.220 1.00 32.84 H new ATOM 0 HE2 HIS B 54 5.595 -4.196 10.065 1.00 32.39 H new ATOM 960 N GLN B 55 6.961 -3.767 14.666 1.00 18.42 N ATOM 961 CA GLN B 55 5.771 -4.390 15.237 1.00 18.55 C ATOM 962 C GLN B 55 5.703 -4.109 16.731 1.00 18.58 C ATOM 963 O GLN B 55 4.620 -4.054 17.300 1.00 17.20 O ATOM 964 CB GLN B 55 5.783 -5.900 14.995 1.00 18.28 C ATOM 965 CG GLN B 55 5.874 -6.238 13.523 1.00 18.96 C ATOM 966 CD GLN B 55 5.813 -7.710 13.247 1.00 16.40 C ATOM 967 OE1 GLN B 55 6.409 -8.505 13.961 1.00 18.98 O ATOM 968 NE2 GLN B 55 5.107 -8.084 12.196 1.00 17.14 N ATOM 0 H GLN B 55 7.607 -4.309 14.497 1.00 18.42 H new ATOM 0 HA GLN B 55 4.990 -4.013 14.803 1.00 18.55 H new ATOM 0 HB2 GLN B 55 6.534 -6.296 15.464 1.00 18.28 H new ATOM 0 HB3 GLN B 55 4.978 -6.293 15.367 1.00 18.28 H new ATOM 0 HG2 GLN B 55 5.151 -5.797 13.051 1.00 18.96 H new ATOM 0 HG3 GLN B 55 6.703 -5.883 13.167 1.00 18.96 H new ATOM 0 HE21 GLN B 55 4.702 -7.495 11.718 1.00 17.14 H new ATOM 0 HE22 GLN B 55 5.052 -8.917 11.989 1.00 17.14 H new ATOM 969 N ARG B 56 6.867 -3.946 17.361 1.00 19.22 N ATOM 970 CA ARG B 56 6.921 -3.645 18.781 1.00 18.47 C ATOM 971 C ARG B 56 6.473 -2.196 18.993 1.00 18.08 C ATOM 972 O ARG B 56 5.746 -1.897 19.940 1.00 17.14 O ATOM 973 CB ARG B 56 8.333 -3.854 19.332 1.00 22.22 C ATOM 974 CG ARG B 56 8.720 -5.313 19.530 1.00 26.52 C ATOM 975 CD ARG B 56 10.025 -5.472 20.326 1.00 30.82 C ATOM 976 NE ARG B 56 11.221 -5.024 19.607 1.00 35.96 N ATOM 977 CZ ARG B 56 11.967 -3.965 19.942 1.00 38.58 C ATOM 978 NH1 ARG B 56 11.649 -3.223 20.997 1.00 38.31 N ATOM 979 NH2 ARG B 56 13.040 -3.643 19.222 1.00 33.01 N ATOM 0 H ARG B 56 7.635 -4.007 16.979 1.00 19.22 H new ATOM 0 HA ARG B 56 6.329 -4.246 19.259 1.00 18.47 H new ATOM 0 HB2 ARG B 56 8.969 -3.441 18.727 1.00 22.22 H new ATOM 0 HB3 ARG B 56 8.409 -3.392 20.182 1.00 22.22 H new ATOM 0 HG2 ARG B 56 8.004 -5.775 19.993 1.00 26.52 H new ATOM 0 HG3 ARG B 56 8.819 -5.739 18.664 1.00 26.52 H new ATOM 0 HD2 ARG B 56 9.951 -4.972 21.154 1.00 30.82 H new ATOM 0 HD3 ARG B 56 10.134 -6.405 20.567 1.00 30.82 H new ATOM 0 HE ARG B 56 11.462 -5.477 18.917 1.00 35.96 H new ATOM 0 HH11 ARG B 56 10.959 -3.422 21.470 1.00 38.31 H new ATOM 0 HH12 ARG B 56 12.133 -2.544 21.207 1.00 38.31 H new ATOM 0 HH21 ARG B 56 13.257 -4.117 18.538 1.00 33.01 H new ATOM 0 HH22 ARG B 56 13.516 -2.961 19.441 1.00 33.01 H new ATOM 980 N ALA B 57 6.897 -1.311 18.094 1.00 17.74 N ATOM 981 CA ALA B 57 6.529 0.102 18.149 1.00 16.47 C ATOM 982 C ALA B 57 5.033 0.209 17.889 1.00 18.41 C ATOM 983 O ALA B 57 4.319 0.996 18.518 1.00 17.89 O ATOM 984 CB ALA B 57 7.287 0.873 17.100 1.00 16.90 C ATOM 0 H ALA B 57 7.408 -1.514 17.433 1.00 17.74 H new ATOM 0 HA ALA B 57 6.748 0.472 19.019 1.00 16.47 H new ATOM 0 HB1 ALA B 57 7.037 1.809 17.143 1.00 16.90 H new ATOM 0 HB2 ALA B 57 8.240 0.785 17.259 1.00 16.90 H new ATOM 0 HB3 ALA B 57 7.072 0.522 16.222 1.00 16.90 H new ATOM 985 N TYR B 58 4.579 -0.594 16.937 1.00 18.67 N ATOM 986 CA TYR B 58 3.185 -0.657 16.581 1.00 18.74 C ATOM 987 C TYR B 58 2.359 -0.977 17.826 1.00 18.21 C ATOM 988 O TYR B 58 1.416 -0.261 18.144 1.00 16.96 O ATOM 989 CB TYR B 58 2.977 -1.745 15.532 1.00 21.82 C ATOM 990 CG TYR B 58 1.549 -1.888 15.062 1.00 24.46 C ATOM 991 CD1 TYR B 58 1.044 -1.077 14.047 1.00 24.33 C ATOM 992 CD2 TYR B 58 0.708 -2.859 15.613 1.00 23.54 C ATOM 993 CE1 TYR B 58 -0.264 -1.234 13.586 1.00 26.46 C ATOM 994 CE2 TYR B 58 -0.589 -3.019 15.161 1.00 24.43 C ATOM 995 CZ TYR B 58 -1.072 -2.210 14.147 1.00 26.55 C ATOM 996 OH TYR B 58 -2.354 -2.396 13.677 1.00 32.45 O ATOM 0 H TYR B 58 5.082 -1.120 16.479 1.00 18.67 H new ATOM 0 HA TYR B 58 2.902 0.197 16.217 1.00 18.74 H new ATOM 0 HB2 TYR B 58 3.541 -1.554 14.766 1.00 21.82 H new ATOM 0 HB3 TYR B 58 3.273 -2.593 15.898 1.00 21.82 H new ATOM 0 HD1 TYR B 58 1.587 -0.422 13.671 1.00 24.33 H new ATOM 0 HD2 TYR B 58 1.026 -3.406 16.295 1.00 23.54 H new ATOM 0 HE1 TYR B 58 -0.591 -0.688 12.908 1.00 26.46 H new ATOM 0 HE2 TYR B 58 -1.136 -3.670 15.538 1.00 24.43 H new ATOM 0 HH TYR B 58 -2.723 -3.017 14.106 1.00 32.45 H new ATOM 997 N ARG B 59 2.713 -2.048 18.532 1.00 18.31 N ATOM 998 CA ARG B 59 1.967 -2.435 19.731 1.00 19.38 C ATOM 999 C ARG B 59 2.051 -1.385 20.818 1.00 20.02 C ATOM 1000 O ARG B 59 1.062 -1.074 21.473 1.00 20.14 O ATOM 1001 CB ARG B 59 2.473 -3.755 20.303 1.00 19.87 C ATOM 1002 CG ARG B 59 2.376 -4.918 19.357 1.00 23.13 C ATOM 1003 CD ARG B 59 2.464 -6.239 20.097 1.00 25.66 C ATOM 1004 NE ARG B 59 2.670 -7.331 19.155 1.00 27.01 N ATOM 1005 CZ ARG B 59 3.839 -7.616 18.594 1.00 28.82 C ATOM 1006 NH1 ARG B 59 4.912 -6.899 18.891 1.00 30.41 N ATOM 1007 NH2 ARG B 59 3.928 -8.596 17.711 1.00 31.42 N ATOM 0 H ARG B 59 3.375 -2.561 18.338 1.00 18.31 H new ATOM 0 HA ARG B 59 1.044 -2.530 19.449 1.00 19.38 H new ATOM 0 HB2 ARG B 59 3.399 -3.646 20.570 1.00 19.87 H new ATOM 0 HB3 ARG B 59 1.969 -3.962 21.106 1.00 19.87 H new ATOM 0 HG2 ARG B 59 1.538 -4.873 18.870 1.00 23.13 H new ATOM 0 HG3 ARG B 59 3.088 -4.864 18.701 1.00 23.13 H new ATOM 0 HD2 ARG B 59 3.194 -6.212 20.735 1.00 25.66 H new ATOM 0 HD3 ARG B 59 1.650 -6.389 20.603 1.00 25.66 H new ATOM 0 HE ARG B 59 1.993 -7.821 18.950 1.00 27.01 H new ATOM 0 HH11 ARG B 59 4.853 -6.247 19.449 1.00 30.41 H new ATOM 0 HH12 ARG B 59 5.668 -7.085 18.526 1.00 30.41 H new ATOM 0 HH21 ARG B 59 3.228 -9.049 17.500 1.00 31.42 H new ATOM 0 HH22 ARG B 59 4.686 -8.780 17.348 1.00 31.42 H new ATOM 1008 N ALA B 60 3.245 -0.846 21.011 1.00 20.38 N ATOM 1009 CA ALA B 60 3.456 0.167 22.027 1.00 20.83 C ATOM 1010 C ALA B 60 2.634 1.435 21.805 1.00 22.30 C ATOM 1011 O ALA B 60 1.917 1.882 22.709 1.00 21.52 O ATOM 1012 CB ALA B 60 4.941 0.516 22.116 1.00 20.18 C ATOM 0 H ALA B 60 3.948 -1.055 20.562 1.00 20.38 H new ATOM 0 HA ALA B 60 3.150 -0.216 22.864 1.00 20.83 H new ATOM 0 HB1 ALA B 60 5.074 1.194 22.797 1.00 20.18 H new ATOM 0 HB2 ALA B 60 5.447 -0.278 22.348 1.00 20.18 H new ATOM 0 HB3 ALA B 60 5.246 0.855 21.260 1.00 20.18 H new ATOM 1013 N THR B 61 2.729 2.015 20.611 1.00 23.87 N ATOM 1014 CA THR B 61 2.000 3.246 20.345 1.00 27.88 C ATOM 1015 C THR B 61 0.486 3.046 20.455 1.00 29.03 C ATOM 1016 O THR B 61 -0.205 3.839 21.104 1.00 29.06 O ATOM 1017 CB THR B 61 2.341 3.842 18.946 1.00 29.13 C ATOM 1018 OG1 THR B 61 1.749 3.038 17.919 1.00 34.70 O ATOM 1019 CG2 THR B 61 3.850 3.893 18.735 1.00 27.87 C ATOM 0 H THR B 61 3.200 1.718 19.956 1.00 23.87 H new ATOM 0 HA THR B 61 2.285 3.875 21.026 1.00 27.88 H new ATOM 0 HB THR B 61 1.987 4.744 18.904 1.00 29.13 H new ATOM 0 HG1 THR B 61 1.566 3.520 17.256 1.00 34.70 H new ATOM 0 HG21 THR B 61 4.042 4.266 17.860 1.00 27.87 H new ATOM 0 HG22 THR B 61 4.254 4.449 19.419 1.00 27.87 H new ATOM 0 HG23 THR B 61 4.215 2.996 18.791 1.00 27.87 H new ATOM 1020 N ASN B 62 -0.025 1.982 19.844 1.00 28.73 N ATOM 1021 CA ASN B 62 -1.457 1.716 19.882 1.00 29.54 C ATOM 1022 C ASN B 62 -1.972 1.411 21.283 1.00 29.95 C ATOM 1023 O ASN B 62 -3.099 1.787 21.614 1.00 30.29 O ATOM 1024 CB ASN B 62 -1.810 0.594 18.904 1.00 30.03 C ATOM 1025 CG ASN B 62 -1.641 1.025 17.462 1.00 31.44 C ATOM 1026 OD1 ASN B 62 -2.281 1.969 17.020 1.00 34.87 O ATOM 1027 ND2 ASN B 62 -0.766 0.348 16.726 1.00 33.60 N ATOM 0 H ASN B 62 0.438 1.405 19.405 1.00 28.73 H new ATOM 0 HA ASN B 62 -1.906 2.530 19.606 1.00 29.54 H new ATOM 0 HB2 ASN B 62 -1.246 -0.176 19.079 1.00 30.03 H new ATOM 0 HB3 ASN B 62 -2.727 0.314 19.052 1.00 30.03 H new ATOM 0 HD21 ASN B 62 -0.632 0.569 15.906 1.00 33.60 H new ATOM 0 HD22 ASN B 62 -0.333 -0.311 17.070 1.00 33.60 H new ATOM 1028 N SER B 63 -1.153 0.750 22.102 1.00 29.50 N ATOM 1029 CA SER B 63 -1.532 0.436 23.483 1.00 29.90 C ATOM 1030 C SER B 63 -1.631 1.720 24.289 1.00 27.84 C ATOM 1031 O SER B 63 -2.422 1.821 25.214 1.00 28.66 O ATOM 1032 CB SER B 63 -0.495 -0.469 24.152 1.00 32.17 C ATOM 1033 OG SER B 63 -0.528 -1.783 23.626 1.00 36.15 O ATOM 0 H SER B 63 -0.370 0.473 21.877 1.00 29.50 H new ATOM 0 HA SER B 63 -2.386 -0.023 23.458 1.00 29.90 H new ATOM 0 HB2 SER B 63 0.391 -0.093 24.028 1.00 32.17 H new ATOM 0 HB3 SER B 63 -0.660 -0.499 25.107 1.00 32.17 H new ATOM 0 HG SER B 63 -0.080 -1.812 22.916 1.00 36.15 H new ATOM 1034 N LEU B 64 -0.801 2.693 23.940 1.00 26.46 N ATOM 1035 CA LEU B 64 -0.800 3.981 24.614 1.00 24.27 C ATOM 1036 C LEU B 64 -1.958 4.850 24.124 1.00 23.84 C ATOM 1037 O LEU B 64 -2.760 5.326 24.923 1.00 24.69 O ATOM 1038 CB LEU B 64 0.531 4.708 24.366 1.00 23.92 C ATOM 1039 CG LEU B 64 0.760 6.133 24.899 1.00 24.58 C ATOM 1040 CD1 LEU B 64 0.832 6.151 26.427 1.00 23.25 C ATOM 1041 CD2 LEU B 64 2.059 6.656 24.330 1.00 22.83 C ATOM 0 H LEU B 64 -0.223 2.625 23.307 1.00 26.46 H new ATOM 0 HA LEU B 64 -0.908 3.824 25.565 1.00 24.27 H new ATOM 0 HB2 LEU B 64 1.234 4.150 24.734 1.00 23.92 H new ATOM 0 HB3 LEU B 64 0.665 4.738 23.406 1.00 23.92 H new ATOM 0 HG LEU B 64 0.015 6.692 24.628 1.00 24.58 H new ATOM 0 HD11 LEU B 64 0.977 7.060 26.734 1.00 23.25 H new ATOM 0 HD12 LEU B 64 -0.000 5.815 26.794 1.00 23.25 H new ATOM 0 HD13 LEU B 64 1.566 5.590 26.723 1.00 23.25 H new ATOM 0 HD21 LEU B 64 2.217 7.555 24.658 1.00 22.83 H new ATOM 0 HD22 LEU B 64 2.789 6.079 24.605 1.00 22.83 H new ATOM 0 HD23 LEU B 64 2.006 6.670 23.362 1.00 22.83 H new ATOM 1042 N LEU B 65 -2.060 5.036 22.812 1.00 22.52 N ATOM 1043 CA LEU B 65 -3.101 5.891 22.255 1.00 22.78 C ATOM 1044 C LEU B 65 -4.552 5.454 22.458 1.00 24.73 C ATOM 1045 O LEU B 65 -5.481 6.253 22.270 1.00 24.64 O ATOM 1046 CB LEU B 65 -2.824 6.150 20.766 1.00 20.53 C ATOM 1047 CG LEU B 65 -1.516 6.908 20.451 1.00 21.42 C ATOM 1048 CD1 LEU B 65 -1.496 7.283 18.985 1.00 21.32 C ATOM 1049 CD2 LEU B 65 -1.390 8.174 21.286 1.00 17.75 C ATOM 0 H LEU B 65 -1.538 4.678 22.230 1.00 22.52 H new ATOM 0 HA LEU B 65 -3.038 6.704 22.780 1.00 22.78 H new ATOM 0 HB2 LEU B 65 -2.803 5.297 20.304 1.00 20.53 H new ATOM 0 HB3 LEU B 65 -3.567 6.654 20.398 1.00 20.53 H new ATOM 0 HG LEU B 65 -0.772 6.324 20.665 1.00 21.42 H new ATOM 0 HD11 LEU B 65 -0.675 7.759 18.784 1.00 21.32 H new ATOM 0 HD12 LEU B 65 -1.543 6.479 18.444 1.00 21.32 H new ATOM 0 HD13 LEU B 65 -2.256 7.851 18.786 1.00 21.32 H new ATOM 0 HD21 LEU B 65 -0.561 8.626 21.066 1.00 17.75 H new ATOM 0 HD22 LEU B 65 -2.138 8.762 21.098 1.00 17.75 H new ATOM 0 HD23 LEU B 65 -1.391 7.942 22.228 1.00 17.75 H new ATOM 1050 N ILE B 66 -4.763 4.207 22.860 1.00 26.10 N ATOM 1051 CA ILE B 66 -6.126 3.747 23.069 1.00 26.12 C ATOM 1052 C ILE B 66 -6.653 4.202 24.429 1.00 27.53 C ATOM 1053 O ILE B 66 -7.851 4.154 24.690 1.00 28.65 O ATOM 1054 CB ILE B 66 -6.250 2.204 22.947 1.00 24.81 C ATOM 1055 CG1 ILE B 66 -7.730 1.833 22.780 1.00 25.94 C ATOM 1056 CG2 ILE B 66 -5.679 1.518 24.185 1.00 20.31 C ATOM 1057 CD1 ILE B 66 -7.980 0.371 22.412 1.00 24.79 C ATOM 0 H ILE B 66 -4.148 3.626 23.014 1.00 26.10 H new ATOM 0 HA ILE B 66 -6.665 4.146 22.368 1.00 26.12 H new ATOM 0 HB ILE B 66 -5.745 1.905 22.175 1.00 24.81 H new ATOM 0 HG12 ILE B 66 -8.196 2.031 23.607 1.00 25.94 H new ATOM 0 HG13 ILE B 66 -8.118 2.398 22.094 1.00 25.94 H new ATOM 0 HG21 ILE B 66 -5.765 0.556 24.091 1.00 20.31 H new ATOM 0 HG22 ILE B 66 -4.742 1.751 24.281 1.00 20.31 H new ATOM 0 HG23 ILE B 66 -6.166 1.810 24.971 1.00 20.31 H new ATOM 0 HD11 ILE B 66 -8.934 0.218 22.325 1.00 24.79 H new ATOM 0 HD12 ILE B 66 -7.543 0.170 21.570 1.00 24.79 H new ATOM 0 HD13 ILE B 66 -7.622 -0.204 23.107 1.00 24.79 H new ATOM 1058 N LYS B 67 -5.758 4.639 25.304 1.00 29.08 N ATOM 1059 CA LYS B 67 -6.186 5.121 26.612 1.00 30.21 C ATOM 1060 C LYS B 67 -6.697 6.546 26.418 1.00 31.78 C ATOM 1061 O LYS B 67 -5.968 7.419 25.953 1.00 31.39 O ATOM 1062 CB LYS B 67 -5.021 5.097 27.596 1.00 29.45 C ATOM 1063 CG LYS B 67 -4.272 3.788 27.564 1.00 30.29 C ATOM 1064 CD LYS B 67 -3.415 3.584 28.799 1.00 33.43 C ATOM 1065 CE LYS B 67 -2.525 2.360 28.624 1.00 34.22 C ATOM 1066 NZ LYS B 67 -1.705 2.065 29.828 1.00 35.60 N ATOM 0 H LYS B 67 -4.910 4.666 25.165 1.00 29.08 H new ATOM 0 HA LYS B 67 -6.883 4.554 26.978 1.00 30.21 H new ATOM 0 HB2 LYS B 67 -4.410 5.822 27.389 1.00 29.45 H new ATOM 0 HB3 LYS B 67 -5.355 5.255 28.493 1.00 29.45 H new ATOM 0 HG2 LYS B 67 -4.905 3.057 27.488 1.00 30.29 H new ATOM 0 HG3 LYS B 67 -3.710 3.759 26.774 1.00 30.29 H new ATOM 0 HD2 LYS B 67 -2.869 4.370 28.955 1.00 33.43 H new ATOM 0 HD3 LYS B 67 -3.981 3.472 29.579 1.00 33.43 H new ATOM 0 HE2 LYS B 67 -3.078 1.590 28.418 1.00 34.22 H new ATOM 0 HE3 LYS B 67 -1.938 2.498 27.864 1.00 34.22 H new ATOM 0 HZ1 LYS B 67 -1.204 1.345 29.677 1.00 35.60 H new ATOM 0 HZ2 LYS B 67 -1.178 2.760 30.006 1.00 35.60 H new ATOM 0 HZ3 LYS B 67 -2.241 1.914 30.522 1.00 35.60 H new ATOM 1067 N PRO B 68 -7.973 6.788 26.749 1.00 33.65 N ATOM 1068 CA PRO B 68 -8.599 8.111 26.610 1.00 34.23 C ATOM 1069 C PRO B 68 -7.871 9.270 27.300 1.00 33.46 C ATOM 1070 O PRO B 68 -7.668 10.318 26.700 1.00 31.54 O ATOM 1071 CB PRO B 68 -10.016 7.886 27.149 1.00 34.23 C ATOM 1072 CG PRO B 68 -9.854 6.702 28.081 1.00 35.53 C ATOM 1073 CD PRO B 68 -8.926 5.812 27.307 1.00 34.23 C ATOM 0 HA PRO B 68 -8.575 8.410 25.688 1.00 34.23 H new ATOM 0 HB2 PRO B 68 -10.348 8.667 27.618 1.00 34.23 H new ATOM 0 HB3 PRO B 68 -10.644 7.695 26.435 1.00 34.23 H new ATOM 0 HG2 PRO B 68 -9.477 6.963 28.936 1.00 35.53 H new ATOM 0 HG3 PRO B 68 -10.702 6.268 28.266 1.00 35.53 H new ATOM 0 HD2 PRO B 68 -8.488 5.160 27.876 1.00 34.23 H new ATOM 0 HD3 PRO B 68 -9.390 5.318 26.613 1.00 34.23 H new ATOM 1074 N ARG B 69 -7.477 9.084 28.551 1.00 34.62 N ATOM 1075 CA ARG B 69 -6.770 10.140 29.266 1.00 36.62 C ATOM 1076 C ARG B 69 -5.507 10.533 28.508 1.00 34.92 C ATOM 1077 O ARG B 69 -5.165 11.712 28.427 1.00 36.20 O ATOM 1078 CB ARG B 69 -6.352 9.673 30.660 1.00 40.32 C ATOM 1079 CG ARG B 69 -7.450 9.497 31.693 1.00 46.62 C ATOM 1080 CD ARG B 69 -6.783 9.008 32.985 1.00 53.53 C ATOM 1081 NE ARG B 69 -7.629 9.062 34.177 1.00 56.97 N ATOM 1082 CZ ARG B 69 -7.165 8.926 35.420 1.00 59.19 C ATOM 1083 NH1 ARG B 69 -5.866 8.730 35.627 1.00 57.32 N ATOM 1084 NH2 ARG B 69 -7.995 8.986 36.457 1.00 59.72 N ATOM 0 H ARG B 69 -7.606 8.363 29.002 1.00 34.62 H new ATOM 0 HA ARG B 69 -7.374 10.895 29.340 1.00 36.62 H new ATOM 0 HB2 ARG B 69 -5.889 8.826 30.567 1.00 40.32 H new ATOM 0 HB3 ARG B 69 -5.710 10.310 31.010 1.00 40.32 H new ATOM 0 HG2 ARG B 69 -7.916 10.334 31.844 1.00 46.62 H new ATOM 0 HG3 ARG B 69 -8.110 8.857 31.385 1.00 46.62 H new ATOM 0 HD2 ARG B 69 -6.489 8.093 32.855 1.00 53.53 H new ATOM 0 HD3 ARG B 69 -5.988 9.541 33.145 1.00 53.53 H new ATOM 0 HE ARG B 69 -8.473 9.189 34.070 1.00 56.97 H new ATOM 0 HH11 ARG B 69 -5.325 8.691 34.959 1.00 57.32 H new ATOM 0 HH12 ARG B 69 -5.567 8.642 36.428 1.00 57.32 H new ATOM 0 HH21 ARG B 69 -8.836 9.113 36.328 1.00 59.72 H new ATOM 0 HH22 ARG B 69 -7.691 8.898 37.257 1.00 59.72 H new ATOM 1085 N VAL B 70 -4.816 9.533 27.968 1.00 32.26 N ATOM 1086 CA VAL B 70 -3.570 9.741 27.236 1.00 31.33 C ATOM 1087 C VAL B 70 -3.755 10.441 25.896 1.00 31.15 C ATOM 1088 O VAL B 70 -3.014 11.365 25.558 1.00 31.63 O ATOM 1089 CB VAL B 70 -2.839 8.400 26.998 1.00 30.55 C ATOM 1090 CG1 VAL B 70 -1.562 8.629 26.204 1.00 29.91 C ATOM 1091 CG2 VAL B 70 -2.524 7.747 28.328 1.00 28.58 C ATOM 0 H VAL B 70 -5.059 8.709 28.016 1.00 32.26 H new ATOM 0 HA VAL B 70 -3.038 10.324 27.800 1.00 31.33 H new ATOM 0 HB VAL B 70 -3.415 7.811 26.486 1.00 30.55 H new ATOM 0 HG11 VAL B 70 -1.113 7.781 26.061 1.00 29.91 H new ATOM 0 HG12 VAL B 70 -1.781 9.027 25.347 1.00 29.91 H new ATOM 0 HG13 VAL B 70 -0.977 9.225 26.697 1.00 29.91 H new ATOM 0 HG21 VAL B 70 -2.065 6.906 28.175 1.00 28.58 H new ATOM 0 HG22 VAL B 70 -1.956 8.334 28.851 1.00 28.58 H new ATOM 0 HG23 VAL B 70 -3.349 7.582 28.811 1.00 28.58 H new ATOM 1092 N ALA B 71 -4.738 9.991 25.130 1.00 30.48 N ATOM 1093 CA ALA B 71 -5.006 10.581 23.831 1.00 30.11 C ATOM 1094 C ALA B 71 -5.415 12.043 24.002 1.00 30.20 C ATOM 1095 O ALA B 71 -4.917 12.927 23.303 1.00 28.28 O ATOM 1096 CB ALA B 71 -6.110 9.799 23.133 1.00 30.31 C ATOM 0 H ALA B 71 -5.262 9.344 25.345 1.00 30.48 H new ATOM 0 HA ALA B 71 -4.204 10.544 23.287 1.00 30.11 H new ATOM 0 HB1 ALA B 71 -6.288 10.194 22.265 1.00 30.31 H new ATOM 0 HB2 ALA B 71 -5.830 8.878 23.017 1.00 30.31 H new ATOM 0 HB3 ALA B 71 -6.916 9.826 23.672 1.00 30.31 H new ATOM 1097 N ALA B 72 -6.323 12.286 24.942 1.00 29.26 N ATOM 1098 CA ALA B 72 -6.804 13.632 25.209 1.00 29.36 C ATOM 1099 C ALA B 72 -5.650 14.560 25.590 1.00 29.22 C ATOM 1100 O ALA B 72 -5.616 15.717 25.179 1.00 28.69 O ATOM 1101 CB ALA B 72 -7.842 13.596 26.322 1.00 28.55 C ATOM 0 H ALA B 72 -6.674 11.678 25.439 1.00 29.26 H new ATOM 0 HA ALA B 72 -7.213 13.979 24.401 1.00 29.36 H new ATOM 0 HB1 ALA B 72 -8.160 14.495 26.497 1.00 28.55 H new ATOM 0 HB2 ALA B 72 -8.587 13.037 26.052 1.00 28.55 H new ATOM 0 HB3 ALA B 72 -7.441 13.233 27.127 1.00 28.55 H new ATOM 1102 N ALA B 73 -4.704 14.039 26.366 1.00 28.55 N ATOM 1103 CA ALA B 73 -3.553 14.815 26.809 1.00 28.67 C ATOM 1104 C ALA B 73 -2.591 15.147 25.667 1.00 30.90 C ATOM 1105 O ALA B 73 -2.106 16.278 25.573 1.00 29.46 O ATOM 1106 CB ALA B 73 -2.810 14.060 27.908 1.00 26.69 C ATOM 0 H ALA B 73 -4.712 13.227 26.649 1.00 28.55 H new ATOM 0 HA ALA B 73 -3.891 15.657 27.152 1.00 28.67 H new ATOM 0 HB1 ALA B 73 -2.045 14.581 28.199 1.00 26.69 H new ATOM 0 HB2 ALA B 73 -3.405 13.913 28.660 1.00 26.69 H new ATOM 0 HB3 ALA B 73 -2.506 13.205 27.565 1.00 26.69 H new ATOM 1107 N LEU B 74 -2.323 14.157 24.813 1.00 31.74 N ATOM 1108 CA LEU B 74 -1.410 14.310 23.679 1.00 33.23 C ATOM 1109 C LEU B 74 -1.972 15.223 22.598 1.00 36.50 C ATOM 1110 O LEU B 74 -1.231 15.747 21.756 1.00 37.30 O ATOM 1111 CB LEU B 74 -1.074 12.938 23.086 1.00 29.71 C ATOM 1112 CG LEU B 74 -0.293 12.014 24.022 1.00 27.08 C ATOM 1113 CD1 LEU B 74 -0.203 10.628 23.395 1.00 26.28 C ATOM 1114 CD2 LEU B 74 1.096 12.596 24.309 1.00 20.45 C ATOM 0 H LEU B 74 -2.669 13.372 24.877 1.00 31.74 H new ATOM 0 HA LEU B 74 -0.602 14.728 24.016 1.00 33.23 H new ATOM 0 HB2 LEU B 74 -1.900 12.498 22.831 1.00 29.71 H new ATOM 0 HB3 LEU B 74 -0.559 13.067 22.274 1.00 29.71 H new ATOM 0 HG LEU B 74 -0.755 11.939 24.872 1.00 27.08 H new ATOM 0 HD11 LEU B 74 0.292 10.037 23.985 1.00 26.28 H new ATOM 0 HD12 LEU B 74 -1.096 10.275 23.260 1.00 26.28 H new ATOM 0 HD13 LEU B 74 0.253 10.688 22.541 1.00 26.28 H new ATOM 0 HD21 LEU B 74 1.580 12.001 24.903 1.00 20.45 H new ATOM 0 HD22 LEU B 74 1.586 12.690 23.477 1.00 20.45 H new ATOM 0 HD23 LEU B 74 1.002 13.465 24.729 1.00 20.45 H new ATOM 1115 N ARG B 75 -3.288 15.390 22.611 1.00 37.92 N ATOM 1116 CA ARG B 75 -3.947 16.275 21.671 1.00 40.41 C ATOM 1117 C ARG B 75 -4.043 17.604 22.401 1.00 43.68 C ATOM 1118 O ARG B 75 -3.549 17.731 23.519 1.00 44.91 O ATOM 1119 CB ARG B 75 -5.344 15.763 21.342 1.00 39.22 C ATOM 1120 CG ARG B 75 -5.369 14.606 20.371 1.00 36.95 C ATOM 1121 CD ARG B 75 -6.701 13.920 20.467 1.00 36.39 C ATOM 1122 NE ARG B 75 -6.831 12.797 19.552 1.00 35.11 N ATOM 1123 CZ ARG B 75 -7.716 11.819 19.713 1.00 34.84 C ATOM 1124 NH1 ARG B 75 -8.536 11.831 20.755 1.00 34.21 N ATOM 1125 NH2 ARG B 75 -7.787 10.834 18.832 1.00 35.50 N ATOM 0 H ARG B 75 -3.818 14.996 23.161 1.00 37.92 H new ATOM 0 HA ARG B 75 -3.464 16.341 20.832 1.00 40.41 H new ATOM 0 HB2 ARG B 75 -5.779 15.491 22.165 1.00 39.22 H new ATOM 0 HB3 ARG B 75 -5.866 16.493 20.973 1.00 39.22 H new ATOM 0 HG2 ARG B 75 -5.220 14.924 19.467 1.00 36.95 H new ATOM 0 HG3 ARG B 75 -4.655 13.982 20.574 1.00 36.95 H new ATOM 0 HD2 ARG B 75 -6.833 13.607 21.376 1.00 36.39 H new ATOM 0 HD3 ARG B 75 -7.404 14.563 20.284 1.00 36.39 H new ATOM 0 HE ARG B 75 -6.307 12.764 18.871 1.00 35.11 H new ATOM 0 HH11 ARG B 75 -8.495 12.472 21.327 1.00 34.21 H new ATOM 0 HH12 ARG B 75 -9.109 11.198 20.859 1.00 34.21 H new ATOM 0 HH21 ARG B 75 -7.259 10.826 18.153 1.00 35.50 H new ATOM 0 HH22 ARG B 75 -8.361 10.202 18.939 1.00 35.50 H new ATOM 1126 N GLY B 76 -4.680 18.589 21.785 1.00 46.22 N ATOM 1127 CA GLY B 76 -4.799 19.881 22.433 1.00 49.21 C ATOM 1128 C GLY B 76 -5.674 19.784 23.661 1.00 51.14 C ATOM 1129 O GLY B 76 -6.314 20.755 24.052 1.00 52.91 O ATOM 0 H GLY B 76 -5.043 18.532 21.008 1.00 46.22 H new ATOM 0 HA2 GLY B 76 -3.919 20.205 22.682 1.00 49.21 H new ATOM 0 HA3 GLY B 76 -5.174 20.526 21.813 1.00 49.21 H new ATOM 1130 N GLU B 77 -5.694 18.602 24.263 1.00 53.32 N ATOM 1131 CA GLU B 77 -6.487 18.319 25.450 1.00 55.74 C ATOM 1132 C GLU B 77 -7.895 17.939 25.033 1.00 56.85 C ATOM 1133 O GLU B 77 -8.849 18.114 25.792 1.00 57.31 O ATOM 1134 CB GLU B 77 -6.524 19.522 26.393 1.00 56.71 C ATOM 1135 CG GLU B 77 -6.116 19.191 27.813 1.00 57.90 C ATOM 1136 CD GLU B 77 -6.919 18.050 28.399 1.00 58.31 C ATOM 1137 OE1 GLU B 77 -8.166 18.127 28.378 1.00 59.40 O ATOM 1138 OE2 GLU B 77 -6.299 17.079 28.885 1.00 58.59 O ATOM 0 H GLU B 77 -5.237 17.928 23.987 1.00 53.32 H new ATOM 0 HA GLU B 77 -6.076 17.582 25.928 1.00 55.74 H new ATOM 0 HB2 GLU B 77 -5.936 20.212 26.048 1.00 56.71 H new ATOM 0 HB3 GLU B 77 -7.421 19.891 26.400 1.00 56.71 H new ATOM 0 HG2 GLU B 77 -5.174 18.961 27.830 1.00 57.90 H new ATOM 0 HG3 GLU B 77 -6.226 19.978 28.369 1.00 57.90 H new ATOM 1139 N GLU B 78 -8.006 17.412 23.816 1.00 58.02 N ATOM 1140 CA GLU B 78 -9.291 16.986 23.290 1.00 59.84 C ATOM 1141 C GLU B 78 -9.230 16.589 21.822 1.00 61.32 C ATOM 1142 O GLU B 78 -8.243 16.944 21.142 1.00 62.24 O ATOM 1143 OXT GLU B 78 -10.177 15.932 21.337 1.00 62.28 O ATOM 0 H GLU B 78 -7.344 17.294 23.280 1.00 58.02 H new TER 1144 GLU B 78 HETATM 1145 O HOH A 79 26.143 6.051 7.464 1.00 38.77 O HETATM 1146 O HOH A 80 16.703 11.257 8.735 1.00 44.46 O HETATM 1147 O HOH A 81 15.132 17.206 20.160 1.00 43.80 O HETATM 1148 O HOH A 82 27.926 0.983 -4.218 1.00 49.25 O HETATM 1149 O HOH A 83 22.806 6.720 -7.196 1.00 44.25 O HETATM 1150 O HOH A 84 13.919 4.770 18.964 1.00 29.42 O HETATM 1151 O HOH A 85 17.235 9.119 23.219 1.00 56.88 O HETATM 1152 O HOH A 86 19.548 -6.167 19.338 1.00 28.07 O HETATM 1153 O HOH A 87 6.143 0.165 27.460 1.00 36.95 O HETATM 1154 O HOH A 88 16.812 -7.523 20.712 1.00 47.57 O HETATM 1155 O HOH A 89 24.594 -2.364 25.507 1.00 33.43 O HETATM 1156 O HOH A 90 13.471 8.539 28.713 1.00 32.98 O HETATM 1157 O HOH A 91 21.210 9.929 8.382 1.00 37.75 O HETATM 1158 O HOH A 92 15.562 7.273 5.476 1.00 50.05 O HETATM 1159 O HOH A 93 26.059 1.928 14.375 1.00 49.91 O HETATM 1160 O HOH A 94 23.098 6.384 17.434 1.00 47.65 O HETATM 1161 O HOH A 95 7.461 4.745 34.127 1.00 48.88 O HETATM 1162 O HOH A 96 3.602 11.846 37.901 1.00 44.84 O HETATM 1163 O HOH A 97 -0.336 4.389 34.468 1.00 37.32 O HETATM 1164 O HOH A 98 18.642 13.685 8.781 1.00 55.82 O HETATM 1165 O HOH A 99 0.029 20.462 27.117 1.00 33.92 O HETATM 1166 O HOH A 100 3.930 14.120 30.234 1.00 40.83 O HETATM 1167 O HOH A 101 -3.558 16.757 32.547 1.00 27.03 O HETATM 1168 O HOH A 102 3.398 3.254 28.462 1.00 21.86 O HETATM 1169 O HOH A 103 6.390 12.093 31.119 1.00 39.87 O HETATM 1170 O HOH A 104 15.281 10.387 11.698 1.00 46.77 O HETATM 1171 O HOH A 105 10.675 -1.352 18.583 1.00 20.73 O HETATM 1172 O HOH A 106 12.417 15.928 12.078 1.00 39.88 O HETATM 1173 O HOH A 107 26.416 -1.387 -2.606 1.00 54.38 O HETATM 1174 O HOH A 108 16.241 -5.609 25.910 1.00 36.42 O HETATM 1175 O HOH A 109 14.685 17.389 14.833 1.00 40.94 O HETATM 1176 O HOH A 110 15.168 3.528 29.145 1.00 37.17 O HETATM 1177 O HOH A 111 24.933 5.319 15.116 1.00 40.36 O HETATM 1178 O HOH A 112 31.805 -4.527 -8.089 1.00 42.75 O HETATM 1179 O HOH A 113 13.503 12.860 27.006 1.00 42.22 O HETATM 1180 O HOH A 114 38.446 -4.547 0.608 1.00 43.11 O HETATM 1181 O HOH A 115 26.318 -5.664 20.147 1.00 36.45 O HETATM 1182 O HOH A 116 25.925 0.227 27.810 1.00 34.72 O HETATM 1183 O HOH A 117 30.389 -9.561 -2.678 1.00 47.14 O HETATM 1184 O HOH A 118 18.654 3.821 7.715 1.00 35.56 O HETATM 1185 O HOH A 119 27.194 4.458 -5.761 1.00 41.63 O HETATM 1186 O HOH A 120 22.697 10.436 -2.900 1.00 50.06 O HETATM 1187 O HOH A 121 5.693 16.762 30.315 1.00 45.53 O HETATM 1188 O HOH A 122 33.287 -9.498 -1.285 1.00 52.66 O HETATM 1189 O HOH A 123 18.895 4.493 -0.889 1.00 48.07 O HETATM 1190 O HOH A 124 14.368 15.197 24.638 1.00 48.86 O HETATM 1191 O HOH A 125 23.359 -3.843 28.261 1.00 39.31 O HETATM 1192 O HOH A 126 21.221 10.970 16.282 1.00 43.21 O HETATM 1193 O HOH B 79 3.045 1.487 25.498 1.00 47.58 O HETATM 1194 O HOH B 80 5.773 -6.041 21.570 1.00 36.42 O HETATM 1195 O HOH B 81 5.418 8.364 8.371 1.00 54.09 O HETATM 1196 O HOH B 82 -4.407 6.554 31.661 1.00 48.92 O HETATM 1197 O HOH B 83 5.309 12.815 11.731 1.00 46.20 O HETATM 1198 O HOH B 84 21.185 -14.456 -5.096 1.00 44.65 O HETATM 1199 O HOH B 85 22.158 -11.258 11.783 1.00 21.52 O HETATM 1200 O HOH B 86 14.715 -1.778 18.141 1.00 29.60 O HETATM 1201 O HOH B 87 6.034 -11.516 11.214 1.00 18.55 O HETATM 1202 O HOH B 88 -7.216 6.809 29.778 1.00 30.71 O HETATM 1203 O HOH B 89 -6.453 13.516 29.898 1.00 31.61 O HETATM 1204 O HOH B 90 11.861 -1.153 12.079 1.00 11.70 O HETATM 1205 O HOH B 91 20.252 -9.363 13.305 1.00 41.39 O HETATM 1206 O HOH B 92 19.090 -10.134 16.062 1.00 39.05 O HETATM 1207 O HOH B 93 9.962 12.278 12.369 1.00 33.40 O HETATM 1208 O HOH B 94 18.037 -16.553 3.722 1.00 38.88 O HETATM 1209 O HOH B 95 3.604 -2.730 11.721 1.00 41.26 O HETATM 1210 O HOH B 96 0.918 -2.558 9.509 1.00 45.09 O HETATM 1211 O HOH B 97 6.545 -9.034 16.497 1.00 29.09 O HETATM 1212 O HOH B 98 3.878 -5.054 24.417 1.00 39.62 O HETATM 1213 O HOH B 99 10.671 -5.687 1.735 1.00 34.02 O HETATM 1214 O HOH B 100 18.608 -16.024 9.350 1.00 35.28 O HETATM 1215 O HOH B 101 13.311 -11.911 6.540 1.00 39.56 O HETATM 1216 O HOH B 103 11.864 -12.898 14.477 1.00 47.10 O HETATM 1217 O HOH B 104 20.826 -16.168 12.157 1.00 44.88 O HETATM 1218 O HOH B 105 14.297 1.427 -1.275 1.00 44.78 O HETATM 1219 O HOH B 106 28.135 -22.721 7.214 1.00 56.06 O HETATM 1220 O HOH B 107 27.328 -25.024 5.290 1.00 48.95 O HETATM 1221 O HOH B 108 12.724 7.003 -3.961 1.00 52.44 O HETATM 1222 O HOH B 109 8.314 -5.295 6.923 1.00 49.90 O HETATM 1223 O HOH B 110 4.111 12.391 7.634 1.00 52.84 O HETATM 1224 O HOH B 111 4.984 2.411 5.869 1.00 53.42 O HETATM 1225 O HOH B 114 -3.194 0.291 12.840 1.00 40.98 O END