USER MOD reduce.3.24.130724 H: found=0, std=0, add=1844, rem=0, adj=66 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-DEC-05 2F9H TITLE THE CRYSTAL STRUCTURE OF PTS SYSTEM IIA COMPONENT FROM ENTEROCOCCUS TITLE 2 FAECALIS V583 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PTS SYSTEM, IIA COMPONENT; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; SOURCE 3 ORGANISM_TAXID: 226185; SOURCE 4 STRAIN: V583; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG7 KEYWDS ALPHA-BETA STRUCTURE, BETA-BARREL, DIMER, STRUCTURAL GENOMICS, PSI, KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, MIDWEST CENTER FOR STRUCTURAL KEYWDS 3 GENOMICS, MCSG, UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR Y.KIM,P.QUARTEY,S.MOY,M.BARGASSA,F.COLLART,A.JOACHIMIAK,MIDWEST AUTHOR 2 CENTER FOR STRUCTURAL GENOMICS (MCSG) REVDAT 3 13-JUL-11 2F9H 1 VERSN REVDAT 2 24-FEB-09 2F9H 1 VERSN REVDAT 1 17-JAN-06 2F9H 0 JRNL AUTH Y.KIM,P.QUARTEY,J.ABDULLAH,F.COLLART,A.JOACHIMIAK JRNL TITL THE CRYSTAL STRUCTURE OF PTS SYSTEM IIA COMPONENT FROM JRNL TITL 2 ENTEROCOCCUS FAECALIS V583 JRNL REF TO BE PUBLISHED 2006 JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.57 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.57 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 34.32 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1411320.030 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.6 REMARK 3 NUMBER OF REFLECTIONS : 38693 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) : 0.169 REMARK 3 FREE R VALUE : 0.229 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.300 REMARK 3 FREE R VALUE TEST SET COUNT : 3615 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.57 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 85.86 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3540 REMARK 3 BIN R VALUE (WORKING SET) : 0.2819 REMARK 3 BIN FREE R VALUE : 0.2979 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 8.78 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 403 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.016 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1844 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 257 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 23.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 25.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.29000 REMARK 3 B22 (A**2) : 2.29000 REMARK 3 B33 (A**2) : -4.58000 REMARK 3 B12 (A**2) : 0.60000 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) : 0.28 REMARK 3 ESD FROM SIGMAA (A) : 0.27 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) : 0.32 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.27 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : 1.50 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.80 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.73 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.450 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.330 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.630 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.910 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.35 REMARK 3 BSOL : 45.07 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 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: CRYSTAL WAS TWINNED; FRACTION 0.442, REMARK 3 DIRECTION -H,-K,L REMARK 4 REMARK 4 2F9H COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-DEC-05. REMARK 100 THE RCSB ID CODE IS RCSB035618. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-JUL-05; 22-NOV-05 REMARK 200 TEMPERATURE (KELVIN) : 100; 100 REMARK 200 PH : 4.6 REMARK 200 NUMBER OF CRYSTALS USED : 2 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y; Y REMARK 200 RADIATION SOURCE : APS; APS REMARK 200 BEAMLINE : 19-BM; 19-ID REMARK 200 X-RAY GENERATOR MODEL : NULL; NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M; M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9793, 0.9795; 0.9793 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL MONOCHROMATOR, REMARK 200 SI(111); DOUBLE CRYSTAL REMARK 200 MONOCHROMATOR, SI(111) REMARK 200 OPTICS : MIRRORS; MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD; CCD REMARK 200 DETECTOR MANUFACTURER : SBC-3; ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : SBCCOLLECT, HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 38988 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.570 REMARK 200 RESOLUTION RANGE LOW (A) : 34.320 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 200 DATA REDUNDANCY : 12.700 REMARK 200 R MERGE (I) : 0.05400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 17.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.57 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.63 REMARK 200 COMPLETENESS FOR SHELL (%) : 88.4 REMARK 200 DATA REDUNDANCY IN SHELL : 8.20 REMARK 200 R MERGE FOR SHELL (I) : 0.33200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 4.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD; SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: HKL-3000, MLPHARE, RESOLVE,SHELXE, SHELXD REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.25 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.42 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M SODIUM ACETATE PH 4.6, 4% REMARK 280 PEG4000, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+1/3 REMARK 290 6555 -X,-X+Y,-Z+2/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 93.62867 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 46.81433 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 46.81433 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 93.62867 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: 1680 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 10640 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -13.0 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 SER A -2 REMARK 465 ASN A -1 REMARK 465 ALA A 0 REMARK 465 MSE A 1 REMARK 465 GLY A 2 REMARK 465 ASN A 124 REMARK 465 GLY A 125 REMARK 465 ALA A 126 REMARK 465 SER B -2 REMARK 465 ASN B -1 REMARK 465 ALA B 0 REMARK 465 MSE B 1 REMARK 465 GLY B 2 REMARK 465 TRP B 3 REMARK 465 LYS B 4 REMARK 465 ASN B 124 REMARK 465 GLY B 125 REMARK 465 ALA B 126 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 TRP A 3 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP A 3 CZ3 CH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O THR B 51 O HOH B 166 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 22 70.79 -63.06 REMARK 500 LYS A 69 137.79 -173.16 REMARK 500 LYS B 22 52.91 -62.35 REMARK 500 ASP B 56 -178.31 -62.38 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 261 DISTANCE = 5.08 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: APC29475 RELATED DB: TARGETDB DBREF 2F9H A 1 126 GB 29377088 NP_816242 1 126 DBREF 2F9H B 1 126 GB 29377088 NP_816242 1 126 SEQADV 2F9H SER A -2 GB 29377088 CLONING ARTIFACT SEQADV 2F9H ASN A -1 GB 29377088 CLONING ARTIFACT SEQADV 2F9H ALA A 0 GB 29377088 CLONING ARTIFACT SEQADV 2F9H MSE A 1 GB 29377088 MET 1 MODIFIED RESIDUE SEQADV 2F9H MSE A 5 GB 29377088 MET 5 MODIFIED RESIDUE SEQADV 2F9H MSE A 23 GB 29377088 MET 23 MODIFIED RESIDUE SEQADV 2F9H SER B -2 GB 29377088 CLONING ARTIFACT SEQADV 2F9H ASN B -1 GB 29377088 CLONING ARTIFACT SEQADV 2F9H ALA B 0 GB 29377088 CLONING ARTIFACT SEQADV 2F9H MSE B 1 GB 29377088 MET 1 MODIFIED RESIDUE SEQADV 2F9H MSE B 5 GB 29377088 MET 5 MODIFIED RESIDUE SEQADV 2F9H MSE B 23 GB 29377088 MET 23 MODIFIED RESIDUE SEQRES 1 A 129 SER ASN ALA MSE GLY TRP LYS MSE GLN ALA THR VAL THR SEQRES 2 A 129 GLU ILE GLY LYS HIS ALA ILE ASP ASP SER GLU LYS MSE SEQRES 3 A 129 ILE ILE LEU PHE GLY GLU THR ALA THR ASP THR LEU LYS SEQRES 4 A 129 GLN HIS ALA VAL ILE GLN SER PHE PRO GLU LYS ASP GLN SEQRES 5 A 129 VAL THR LEU ALA GLU GLY ASP HIS LEU LYS ILE GLY ASP SEQRES 6 A 129 THR ASN TYR THR ILE THR LYS VAL GLY SER PHE ALA ASN SEQRES 7 A 129 SER ASN LEU GLN SER ILE ALA HIS SER THR LEU ILE PHE SEQRES 8 A 129 ALA ASP ALA PRO THR ASP GLU ASP ASP VAL ILE ARG ASN SEQRES 9 A 129 GLY VAL TYR LEU THR PRO HIS GLN LEU PRO LYS ILE THR SEQRES 10 A 129 ILE GLY THR THR ILE ASP TYR LEU VAL ASN GLY ALA SEQRES 1 B 129 SER ASN ALA MSE GLY TRP LYS MSE GLN ALA THR VAL THR SEQRES 2 B 129 GLU ILE GLY LYS HIS ALA ILE ASP ASP SER GLU LYS MSE SEQRES 3 B 129 ILE ILE LEU PHE GLY GLU THR ALA THR ASP THR LEU LYS SEQRES 4 B 129 GLN HIS ALA VAL ILE GLN SER PHE PRO GLU LYS ASP GLN SEQRES 5 B 129 VAL THR LEU ALA GLU GLY ASP HIS LEU LYS ILE GLY ASP SEQRES 6 B 129 THR ASN TYR THR ILE THR LYS VAL GLY SER PHE ALA ASN SEQRES 7 B 129 SER ASN LEU GLN SER ILE ALA HIS SER THR LEU ILE PHE SEQRES 8 B 129 ALA ASP ALA PRO THR ASP GLU ASP ASP VAL ILE ARG ASN SEQRES 9 B 129 GLY VAL TYR LEU THR PRO HIS GLN LEU PRO LYS ILE THR SEQRES 10 B 129 ILE GLY THR THR ILE ASP TYR LEU VAL ASN GLY ALA MODRES 2F9H MSE A 5 MET SELENOMETHIONINE MODRES 2F9H MSE A 23 MET SELENOMETHIONINE MODRES 2F9H MSE B 5 MET SELENOMETHIONINE MODRES 2F9H MSE B 23 MET SELENOMETHIONINE HET MSE A 5 8 HET MSE A 23 8 HET MSE B 5 8 HET MSE B 23 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 4(C5 H11 N O2 SE) FORMUL 3 HOH *257(H2 O) HELIX 1 1 THR A 32 GLN A 37 1 6 HELIX 2 2 GLU A 46 VAL A 50 5 5 HELIX 3 3 PHE A 73 ALA A 82 1 10 HELIX 4 4 ASP A 94 VAL A 98 5 5 HELIX 5 5 THR B 32 GLN B 37 1 6 HELIX 6 6 GLU B 46 VAL B 50 5 5 HELIX 7 7 PHE B 73 ALA B 82 1 10 HELIX 8 8 ASP B 94 VAL B 98 5 5 SHEET 1 A 9 LYS A 4 ILE A 12 0 SHEET 2 A 9 VAL A 40 SER A 43 -1 O SER A 43 N THR A 8 SHEET 3 A 9 MSE A 23 PHE A 27 1 N PHE A 27 O GLN A 42 SHEET 4 A 9 SER A 84 ILE A 87 -1 O SER A 84 N LEU A 26 SHEET 5 A 9 GLY A 102 THR A 106 1 O VAL A 103 N ILE A 87 SHEET 6 A 9 THR A 63 VAL A 70 -1 N LYS A 69 O TYR A 104 SHEET 7 A 9 HIS A 57 ILE A 60 -1 N LEU A 58 O TYR A 65 SHEET 8 A 9 THR A 118 LEU A 122 -1 O ASP A 120 N LYS A 59 SHEET 9 A 9 LYS A 4 ILE A 12 -1 N MSE A 5 O TYR A 121 SHEET 1 B 9 GLN B 6 ILE B 12 0 SHEET 2 B 9 ALA B 39 SER B 43 -1 O ILE B 41 N GLU B 11 SHEET 3 B 9 MSE B 23 PHE B 27 1 N ILE B 25 O VAL B 40 SHEET 4 B 9 SER B 84 ILE B 87 -1 O SER B 84 N LEU B 26 SHEET 5 B 9 GLY B 102 THR B 106 1 O LEU B 105 N ILE B 87 SHEET 6 B 9 THR B 63 VAL B 70 -1 N THR B 66 O THR B 106 SHEET 7 B 9 HIS B 57 ILE B 60 -1 N LEU B 58 O TYR B 65 SHEET 8 B 9 THR B 118 LEU B 122 -1 O ASP B 120 N LYS B 59 SHEET 9 B 9 GLN B 6 ILE B 12 -1 N ALA B 7 O ILE B 119 LINK C LYS A 4 N MSE A 5 1555 1555 1.32 LINK C MSE A 5 N GLN A 6 1555 1555 1.32 LINK C LYS A 22 N MSE A 23 1555 1555 1.33 LINK C MSE A 23 N ILE A 24 1555 1555 1.33 LINK C MSE B 5 N GLN B 6 1555 1555 1.32 LINK C LYS B 22 N MSE B 23 1555 1555 1.33 LINK C MSE B 23 N ILE B 24 1555 1555 1.33 CISPEP 1 THR A 106 PRO A 107 0 0.43 CISPEP 2 THR B 106 PRO B 107 0 -0.09 CRYST1 58.249 58.249 140.443 90.00 90.00 120.00 P 32 2 1 12 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.017168 0.009912 0.000000 0.00000 SCALE2 0.000000 0.019824 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007120 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 42 GLN : amide:sc= 1.57 K(o=2.8,f=1.8) USER MOD Set 1.2: B 121 TYR OH : rot 172:sc= 1.25 USER MOD Set 2.1: B 63 THR OG1 : rot -173:sc= 2.52 USER MOD Set 2.2: B 109 GLN : amide:sc= -0.605 K(o=1.9,f=3.2) USER MOD Set 3.1: A 30 THR OG1 : rot 163:sc= 1.31 USER MOD Set 3.2: B 77 ASN : amide:sc= -0.856! K(o=-2.1!,f=2.9) USER MOD Set 3.3: B 85 THR OG1 : rot -72:sc= 0.878 USER MOD Set 3.4: B 101 ASN : amide:sc= -3.44! K(o=-2.1!,f=2.9) USER MOD Set 4.1: B 57 HIS : no HD1:sc= -2.86! K(o=-1.4!,f=2.6) USER MOD Set 4.2: B 66 THR OG1 : rot -136:sc= 1.47 USER MOD Set 5.1: B 51 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: B 79 GLN : amide:sc= 1.11 K(o=1.1,f=-2.1) USER MOD Set 6.1: A 83 HIS : no HD1:sc= -3.48 K(o=-6.1,f=3.3) USER MOD Set 6.2: A 85 THR OG1 : rot -173:sc= 1.39 USER MOD Set 6.3: A 101 ASN : amide:sc= -5.33! K(o=-6.1!,f=3.3) USER MOD Set 6.4: B 32 THR OG1 : rot -86:sc= 1.29 USER MOD Set 7.1: A 77 ASN : amide:sc= 2.49 K(o=3.6,f=2.9) USER MOD Set 7.2: B 30 THR OG1 : rot -77:sc= 1.11 USER MOD Set 8.1: A 114 THR OG1 : rot 180:sc= 0 USER MOD Set 8.2: A 117 THR OG1 : rot -30:sc= 1.86 USER MOD Set 9.1: A 80 SER OG : rot 133:sc= 0.813 USER MOD Set 9.2: B 80 SER OG : rot -83:sc= 2.35 USER MOD Set10.1: A 57 HIS : no HE2:sc= -0.0107 X(o=-0.012,f=0.065) USER MOD Set10.2: A 64 ASN : amide:sc=-0.000976 X(o=-0.012,f=0.1) USER MOD Set10.3: A 66 THR OG1 : rot 180:sc=-0.000507 USER MOD Set11.1: A 42 GLN : amide:sc= 0.841 K(o=1.6,f=0.2) USER MOD Set11.2: A 121 TYR OH : rot -163:sc= 0.788 USER MOD Set12.1: A 38 HIS : no HD1:sc= 0.811 K(o=2,f=-9.8!) USER MOD Set12.2: B 38 HIS : no HE2:sc= 1.16 K(o=2,f=-12!) USER MOD Set13.1: A 15 HIS : no HD1:sc= -0.166 X(o=-0.43,f=-0.53) USER MOD Set13.2: A 37 GLN : amide:sc= -0.265! X(o=-0.43!,f=-0.56) USER MOD Single : A 4 LYS NZ :NH3+ -122:sc= -0.0594 (180deg=-0.381) USER MOD Single : A 6 GLN : amide:sc= -0.476 K(o=-0.48,f=0.73) USER MOD Single : A 8 THR OG1 : rot -173:sc= 1.78 USER MOD Single : A 10 THR OG1 : rot 106:sc= 1.38 USER MOD Single : A 14 LYS NZ :NH3+ -139:sc= -0.782 (180deg=-2.01!) USER MOD Single : A 20 SER OG : rot -92:sc= 0.411 USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= 0.111 (180deg=0.0427) USER MOD Single : A 32 THR OG1 : rot 126:sc= 2.3 USER MOD Single : A 34 THR OG1 : rot -17:sc= 1.92 USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= 0.179 (180deg=0.0979) USER MOD Single : A 43 SER OG : rot -116:sc= 0.478 USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= 1.34 (180deg=0.562) USER MOD Single : A 49 GLN : amide:sc= 1.24 K(o=1.2,f=-0.062) USER MOD Single : A 51 THR OG1 : rot 150:sc= 0.00333 USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= -0.108 (180deg=-0.62) USER MOD Single : A 63 THR OG1 : rot -169:sc= 1.54 USER MOD Single : A 65 TYR OH : rot -20:sc= 1.2 USER MOD Single : A 68 THR OG1 : rot 120:sc= 1.55 USER MOD Single : A 69 LYS NZ :NH3+ 140:sc= 2.32 (180deg=1.6) USER MOD Single : A 72 SER OG : rot 76:sc= 1.09 USER MOD Single : A 75 ASN : amide:sc= -5.35! K(o=-5.3!,f=0.93) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 2.59 K(o=2.6,f=-0.71) USER MOD Single : A 84 SER OG : rot 31:sc= 0.238 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 9:sc= 1.13 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 108 HIS : no HE2:sc= 0.177 X(o=0.18,f=0.59) USER MOD Single : A 109 GLN : amide:sc= 0.898 K(o=0.9,f=-0.098) USER MOD Single : A 112 LYS NZ :NH3+ 160:sc= -0.0663 (180deg=-0.385) USER MOD Single : A 118 THR OG1 : rot -152:sc= 0.0355 USER MOD Single : B 6 GLN : amide:sc= 0 K(o=0,f=0.73) USER MOD Single : B 8 THR OG1 : rot -147:sc= 1.27 USER MOD Single : B 10 THR OG1 : rot 112:sc= 0.348 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-4.7!) USER MOD Single : B 20 SER OG : rot -73:sc= 2.38 USER MOD Single : B 22 LYS NZ :NH3+ -169:sc= 0.83 (180deg=0.748) USER MOD Single : B 34 THR OG1 : rot 98:sc= 1.18 USER MOD Single : B 36 LYS NZ :NH3+ 177:sc= 1.63 (180deg=1.62) USER MOD Single : B 37 GLN A: amide:sc= -1.37! K(o=-1.4!,f=-0.011) USER MOD Single : B 37 GLN B: amide:sc= 0.286 K(o=0.29,f=-0.7) USER MOD Single : B 43 SER OG : rot -95:sc= 0.554 USER MOD Single : B 47 LYS NZ :NH3+ -158:sc= 1.23 (180deg=1.1) USER MOD Single : B 49 GLN : amide:sc=-0.00387 X(o=-0.0039,f=-0.034) USER MOD Single : B 59 LYS NZ :NH3+ 165:sc= -0.0442 (180deg=-0.303) USER MOD Single : B 64 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : B 65 TYR OH : rot -13:sc= 1.33 USER MOD Single : B 68 THR OG1 : rot -140:sc= 2.13 USER MOD Single : B 69 LYS NZ :NH3+ 143:sc= 2.49 (180deg=1.01) USER MOD Single : B 72 SER OG : rot 66:sc= 0.434 USER MOD Single : B 75 ASN : amide:sc= -9.39! K(o=-9.4!,f=0.65) USER MOD Single : B 76 SER OG : rot -50:sc= -0.169 USER MOD Single : B 83 HIS : no HE2:sc= 2.56 K(o=2.6,f=-6.5!) USER MOD Single : B 84 SER OG : rot 29:sc= 0.308 USER MOD Single : B 93 THR OG1 : rot -88:sc= 0.0145 USER MOD Single : B 104 TYR OH : rot -10:sc= 0.751 USER MOD Single : B 106 THR OG1 : rot -78:sc= 0.274 USER MOD Single : B 108 HIS : no HD1:sc= 1.39 K(o=1.4,f=-4.3!) USER MOD Single : B 112 LYS NZ :NH3+ 168:sc= 0.906 (180deg=0.789) USER MOD Single : B 114 THR OG1 : rot 180:sc= 0 USER MOD Single : B 117 THR OG1 : rot -78:sc= 1.38 USER MOD Single : B 118 THR OG1 : rot 103:sc= 1.39 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 3 -9.507 44.026 26.791 1.00 47.77 N ATOM 2 CA TRP A 3 -9.978 44.421 25.442 1.00 46.88 C ATOM 3 C TRP A 3 -11.341 43.810 25.127 1.00 46.12 C ATOM 4 O TRP A 3 -11.627 42.680 25.522 1.00 45.03 O ATOM 5 CB TRP A 3 -8.959 43.994 24.388 1.00 45.98 C ATOM 0 HA TRP A 3 -10.072 45.386 25.428 1.00 46.88 H new ATOM 6 N LYS A 4 -12.174 44.581 24.425 1.00 45.48 N ATOM 7 CA LYS A 4 -13.506 44.154 24.011 1.00 42.30 C ATOM 8 C LYS A 4 -13.587 44.023 22.499 1.00 40.86 C ATOM 9 O LYS A 4 -13.462 45.008 21.782 1.00 42.12 O ATOM 10 CB LYS A 4 -14.566 45.170 24.448 1.00 42.79 C ATOM 11 CG LYS A 4 -15.904 45.020 23.680 1.00 41.53 C ATOM 12 CD LYS A 4 -16.891 46.132 24.027 1.00 41.34 C ATOM 13 CE LYS A 4 -17.906 46.347 22.915 1.00 40.57 C ATOM 14 NZ LYS A 4 -17.261 46.840 21.656 1.00 41.47 N ATOM 0 H LYS A 4 -11.975 45.379 24.174 1.00 45.48 H new ATOM 0 HA LYS A 4 -13.672 43.296 24.431 1.00 42.30 H new ATOM 0 HB2 LYS A 4 -14.732 45.068 25.398 1.00 42.79 H new ATOM 0 HB3 LYS A 4 -14.221 46.067 24.314 1.00 42.79 H new ATOM 0 HG2 LYS A 4 -15.731 45.029 22.726 1.00 41.53 H new ATOM 0 HG3 LYS A 4 -16.301 44.160 23.888 1.00 41.53 H new ATOM 0 HD2 LYS A 4 -17.354 45.910 24.850 1.00 41.34 H new ATOM 0 HD3 LYS A 4 -16.407 46.957 24.188 1.00 41.34 H new ATOM 0 HE2 LYS A 4 -18.370 45.514 22.736 1.00 40.57 H new ATOM 0 HE3 LYS A 4 -18.574 46.986 23.207 1.00 40.57 H new ATOM 0 HZ1 LYS A 4 -17.623 47.618 21.422 1.00 41.47 H new ATOM 0 HZ2 LYS A 4 -16.388 46.949 21.792 1.00 41.47 H new ATOM 0 HZ3 LYS A 4 -17.388 46.246 21.005 1.00 41.47 H new HETATM 15 N MSE A 5 -13.818 42.811 22.020 1.00 36.81 N HETATM 16 CA MSE A 5 -13.964 42.565 20.588 1.00 33.23 C HETATM 17 C MSE A 5 -15.414 42.149 20.433 1.00 30.67 C HETATM 18 O MSE A 5 -15.894 41.285 21.162 1.00 31.63 O HETATM 19 CB MSE A 5 -13.029 41.442 20.157 1.00 35.36 C HETATM 20 CG MSE A 5 -12.099 41.013 21.263 1.00 40.24 C HETATM 21 SE MSE A 5 -10.419 40.385 20.602 0.90 41.03 SE HETATM 22 CE MSE A 5 -9.575 42.085 20.283 1.00 43.63 C HETATM 0 H MSE A 5 -13.895 42.108 22.510 1.00 36.81 H new HETATM 0 HA MSE A 5 -13.742 43.336 20.043 1.00 33.23 H new HETATM 0 HB2 MSE A 5 -13.555 40.680 19.866 1.00 35.36 H new HETATM 0 HB3 MSE A 5 -12.507 41.734 19.394 1.00 35.36 H new HETATM 0 HG2 MSE A 5 -11.948 41.760 21.863 1.00 40.24 H new HETATM 0 HG3 MSE A 5 -12.521 40.312 21.783 1.00 40.24 H new HETATM 0 HE1 MSE A 5 -8.682 41.942 19.933 1.00 43.63 H new HETATM 0 HE2 MSE A 5 -10.097 42.590 19.640 1.00 43.63 H new HETATM 0 HE3 MSE A 5 -9.520 42.581 21.115 1.00 43.63 H new ATOM 23 N GLN A 6 -16.113 42.756 19.488 1.00 27.04 N ATOM 24 CA GLN A 6 -17.518 42.453 19.311 1.00 23.45 C ATOM 25 C GLN A 6 -17.840 41.640 18.073 1.00 23.10 C ATOM 26 O GLN A 6 -17.270 41.857 17.000 1.00 22.98 O ATOM 27 CB GLN A 6 -18.326 43.762 19.297 1.00 25.79 C ATOM 28 CG GLN A 6 -19.811 43.581 19.029 1.00 27.57 C ATOM 29 CD GLN A 6 -20.616 44.844 19.246 1.00 27.06 C ATOM 30 OE1 GLN A 6 -20.725 45.339 20.366 1.00 29.46 O ATOM 31 NE2 GLN A 6 -21.195 45.367 18.173 1.00 27.54 N ATOM 0 H GLN A 6 -15.795 43.341 18.944 1.00 27.04 H new ATOM 0 HA GLN A 6 -17.767 41.893 20.063 1.00 23.45 H new ATOM 0 HB2 GLN A 6 -18.215 44.207 20.152 1.00 25.79 H new ATOM 0 HB3 GLN A 6 -17.956 44.350 18.621 1.00 25.79 H new ATOM 0 HG2 GLN A 6 -19.934 43.279 18.115 1.00 27.57 H new ATOM 0 HG3 GLN A 6 -20.155 42.882 19.607 1.00 27.57 H new ATOM 0 HE21 GLN A 6 -21.096 44.992 17.405 1.00 27.54 H new ATOM 0 HE22 GLN A 6 -21.669 46.081 18.245 1.00 27.54 H new ATOM 32 N ALA A 7 -18.738 40.677 18.245 1.00 20.56 N ATOM 33 CA ALA A 7 -19.198 39.847 17.145 1.00 20.35 C ATOM 34 C ALA A 7 -20.709 40.083 17.083 1.00 19.55 C ATOM 35 O ALA A 7 -21.314 40.544 18.060 1.00 19.08 O ATOM 36 CB ALA A 7 -18.883 38.370 17.415 1.00 18.37 C ATOM 0 H ALA A 7 -19.097 40.488 19.004 1.00 20.56 H new ATOM 0 HA ALA A 7 -18.762 40.069 16.308 1.00 20.35 H new ATOM 0 HB1 ALA A 7 -19.196 37.831 16.672 1.00 18.37 H new ATOM 0 HB2 ALA A 7 -17.925 38.256 17.515 1.00 18.37 H new ATOM 0 HB3 ALA A 7 -19.328 38.088 18.229 1.00 18.37 H new ATOM 37 N THR A 8 -21.314 39.787 15.938 1.00 20.22 N ATOM 38 CA THR A 8 -22.756 39.964 15.776 1.00 20.92 C ATOM 39 C THR A 8 -23.393 38.733 15.148 1.00 19.00 C ATOM 40 O THR A 8 -22.864 38.179 14.183 1.00 18.34 O ATOM 41 CB THR A 8 -23.061 41.202 14.919 1.00 22.26 C ATOM 42 OG1 THR A 8 -22.659 42.373 15.641 1.00 24.34 O ATOM 43 CG2 THR A 8 -24.544 41.291 14.603 1.00 23.00 C ATOM 0 H THR A 8 -20.910 39.483 15.243 1.00 20.22 H new ATOM 0 HA THR A 8 -23.136 40.092 16.660 1.00 20.92 H new ATOM 0 HB THR A 8 -22.574 41.134 14.083 1.00 22.26 H new ATOM 0 HG1 THR A 8 -22.912 43.058 15.227 1.00 24.34 H new ATOM 0 HG21 THR A 8 -24.713 42.078 14.062 1.00 23.00 H new ATOM 0 HG22 THR A 8 -24.819 40.499 14.115 1.00 23.00 H new ATOM 0 HG23 THR A 8 -25.048 41.353 15.429 1.00 23.00 H new ATOM 44 N VAL A 9 -24.522 38.302 15.709 1.00 18.50 N ATOM 45 CA VAL A 9 -25.230 37.126 15.205 1.00 18.02 C ATOM 46 C VAL A 9 -25.943 37.451 13.894 1.00 19.57 C ATOM 47 O VAL A 9 -26.708 38.416 13.816 1.00 19.23 O ATOM 48 CB VAL A 9 -26.273 36.611 16.231 1.00 18.23 C ATOM 49 CG1 VAL A 9 -26.977 35.381 15.686 1.00 18.28 C ATOM 50 CG2 VAL A 9 -25.596 36.278 17.543 1.00 17.85 C ATOM 0 H VAL A 9 -24.896 38.679 16.386 1.00 18.50 H new ATOM 0 HA VAL A 9 -24.568 36.433 15.056 1.00 18.02 H new ATOM 0 HB VAL A 9 -26.929 37.309 16.384 1.00 18.23 H new ATOM 0 HG11 VAL A 9 -27.627 35.066 16.334 1.00 18.28 H new ATOM 0 HG12 VAL A 9 -27.430 35.607 14.858 1.00 18.28 H new ATOM 0 HG13 VAL A 9 -26.325 34.683 15.517 1.00 18.28 H new ATOM 0 HG21 VAL A 9 -26.257 35.957 18.176 1.00 17.85 H new ATOM 0 HG22 VAL A 9 -24.928 35.590 17.397 1.00 17.85 H new ATOM 0 HG23 VAL A 9 -25.168 37.073 17.898 1.00 17.85 H new ATOM 51 N THR A 10 -25.691 36.643 12.868 1.00 19.67 N ATOM 52 CA THR A 10 -26.295 36.851 11.553 1.00 21.94 C ATOM 53 C THR A 10 -27.345 35.795 11.198 1.00 22.25 C ATOM 54 O THR A 10 -28.160 35.994 10.303 1.00 23.66 O ATOM 55 CB THR A 10 -25.212 36.860 10.444 1.00 21.48 C ATOM 56 OG1 THR A 10 -24.542 35.592 10.406 1.00 21.78 O ATOM 57 CG2 THR A 10 -24.192 37.947 10.709 1.00 19.30 C ATOM 0 H THR A 10 -25.168 35.962 12.913 1.00 19.67 H new ATOM 0 HA THR A 10 -26.739 37.712 11.603 1.00 21.94 H new ATOM 0 HB THR A 10 -25.647 37.029 9.594 1.00 21.48 H new ATOM 0 HG1 THR A 10 -24.798 35.160 9.733 1.00 21.78 H new ATOM 0 HG21 THR A 10 -23.522 37.940 10.008 1.00 19.30 H new ATOM 0 HG22 THR A 10 -24.635 38.810 10.724 1.00 19.30 H new ATOM 0 HG23 THR A 10 -23.765 37.788 11.565 1.00 19.30 H new ATOM 58 N GLU A 11 -27.328 34.680 11.912 1.00 22.20 N ATOM 59 CA GLU A 11 -28.258 33.589 11.660 1.00 23.43 C ATOM 60 C GLU A 11 -28.347 32.745 12.916 1.00 23.98 C ATOM 61 O GLU A 11 -27.465 32.810 13.767 1.00 24.05 O ATOM 62 CB GLU A 11 -27.726 32.688 10.543 1.00 27.79 C ATOM 63 CG GLU A 11 -28.097 33.059 9.136 1.00 30.99 C ATOM 64 CD GLU A 11 -27.532 32.071 8.132 1.00 33.54 C ATOM 65 OE1 GLU A 11 -26.421 32.314 7.619 1.00 32.96 O ATOM 66 OE2 GLU A 11 -28.191 31.040 7.869 1.00 33.58 O ATOM 0 H GLU A 11 -26.778 34.533 12.556 1.00 22.20 H new ATOM 0 HA GLU A 11 -29.119 33.957 11.408 1.00 23.43 H new ATOM 0 HB2 GLU A 11 -26.758 32.670 10.605 1.00 27.79 H new ATOM 0 HB3 GLU A 11 -28.038 31.785 10.709 1.00 27.79 H new ATOM 0 HG2 GLU A 11 -29.063 33.090 9.052 1.00 30.99 H new ATOM 0 HG3 GLU A 11 -27.766 33.949 8.937 1.00 30.99 H new ATOM 67 N ILE A 12 -29.402 31.942 13.023 1.00 22.18 N ATOM 68 CA ILE A 12 -29.565 31.041 14.155 1.00 20.77 C ATOM 69 C ILE A 12 -30.244 29.806 13.590 1.00 21.63 C ATOM 70 O ILE A 12 -31.404 29.861 13.182 1.00 23.00 O ATOM 71 CB ILE A 12 -30.434 31.659 15.274 1.00 21.05 C ATOM 72 CG1 ILE A 12 -29.776 32.935 15.808 1.00 20.84 C ATOM 73 CG2 ILE A 12 -30.581 30.668 16.429 1.00 20.36 C ATOM 74 CD1 ILE A 12 -30.729 33.858 16.515 1.00 22.37 C ATOM 0 H ILE A 12 -30.038 31.905 12.445 1.00 22.18 H new ATOM 0 HA ILE A 12 -28.707 30.845 14.562 1.00 20.77 H new ATOM 0 HB ILE A 12 -31.306 31.868 14.904 1.00 21.05 H new ATOM 0 HG12 ILE A 12 -29.063 32.690 16.418 1.00 20.84 H new ATOM 0 HG13 ILE A 12 -29.366 33.411 15.069 1.00 20.84 H new ATOM 0 HG21 ILE A 12 -31.127 31.063 17.127 1.00 20.36 H new ATOM 0 HG22 ILE A 12 -31.004 29.857 16.108 1.00 20.36 H new ATOM 0 HG23 ILE A 12 -29.705 30.455 16.786 1.00 20.36 H new ATOM 0 HD11 ILE A 12 -30.250 34.642 16.826 1.00 22.37 H new ATOM 0 HD12 ILE A 12 -31.430 34.130 15.903 1.00 22.37 H new ATOM 0 HD13 ILE A 12 -31.123 33.398 17.273 1.00 22.37 H new ATOM 75 N GLY A 13 -29.509 28.701 13.527 1.00 21.57 N ATOM 76 CA GLY A 13 -30.070 27.469 12.998 1.00 22.21 C ATOM 77 C GLY A 13 -31.243 26.947 13.810 1.00 22.48 C ATOM 78 O GLY A 13 -31.316 27.175 15.019 1.00 21.59 O ATOM 0 H GLY A 13 -28.690 28.645 13.784 1.00 21.57 H new ATOM 0 HA2 GLY A 13 -30.358 27.618 12.084 1.00 22.21 H new ATOM 0 HA3 GLY A 13 -29.377 26.791 12.970 1.00 22.21 H new ATOM 79 N LYS A 14 -32.149 26.229 13.149 1.00 22.63 N ATOM 80 CA LYS A 14 -33.334 25.696 13.811 1.00 25.43 C ATOM 81 C LYS A 14 -33.022 24.707 14.932 1.00 25.16 C ATOM 82 O LYS A 14 -33.882 24.416 15.764 1.00 25.05 O ATOM 83 CB LYS A 14 -34.270 25.034 12.794 1.00 26.84 C ATOM 84 CG LYS A 14 -33.635 23.906 12.003 1.00 33.25 C ATOM 85 CD LYS A 14 -34.669 22.954 11.389 1.00 35.61 C ATOM 86 CE LYS A 14 -35.689 23.661 10.495 1.00 36.85 C ATOM 87 NZ LYS A 14 -36.748 24.388 11.251 1.00 36.52 N ATOM 0 H LYS A 14 -32.094 26.039 12.312 1.00 22.63 H new ATOM 0 HA LYS A 14 -33.769 26.460 14.221 1.00 25.43 H new ATOM 0 HB2 LYS A 14 -35.047 24.690 13.262 1.00 26.84 H new ATOM 0 HB3 LYS A 14 -34.588 25.710 12.175 1.00 26.84 H new ATOM 0 HG2 LYS A 14 -33.087 24.281 11.296 1.00 33.25 H new ATOM 0 HG3 LYS A 14 -33.043 23.403 12.584 1.00 33.25 H new ATOM 0 HD2 LYS A 14 -34.207 22.277 10.869 1.00 35.61 H new ATOM 0 HD3 LYS A 14 -35.138 22.493 12.102 1.00 35.61 H new ATOM 0 HE2 LYS A 14 -35.223 24.289 9.921 1.00 36.85 H new ATOM 0 HE3 LYS A 14 -36.109 23.006 9.916 1.00 36.85 H new ATOM 0 HZ1 LYS A 14 -37.535 24.264 10.854 1.00 36.52 H new ATOM 0 HZ2 LYS A 14 -36.784 24.078 12.084 1.00 36.52 H new ATOM 0 HZ3 LYS A 14 -36.558 25.257 11.266 1.00 36.52 H new ATOM 88 N HIS A 15 -31.796 24.193 14.965 1.00 23.73 N ATOM 89 CA HIS A 15 -31.421 23.245 16.009 1.00 22.80 C ATOM 90 C HIS A 15 -30.274 23.780 16.843 1.00 21.95 C ATOM 91 O HIS A 15 -29.657 23.043 17.614 1.00 22.46 O ATOM 92 CB HIS A 15 -31.045 21.907 15.375 1.00 22.52 C ATOM 93 CG HIS A 15 -32.172 21.280 14.618 1.00 24.03 C ATOM 94 ND1 HIS A 15 -32.054 20.863 13.310 1.00 24.91 N ATOM 95 CD2 HIS A 15 -33.459 21.053 14.972 1.00 21.69 C ATOM 96 CE1 HIS A 15 -33.222 20.411 12.888 1.00 23.80 C ATOM 97 NE2 HIS A 15 -34.091 20.516 13.878 1.00 24.29 N ATOM 0 H HIS A 15 -31.174 24.377 14.400 1.00 23.73 H new ATOM 0 HA HIS A 15 -32.180 23.116 16.599 1.00 22.80 H new ATOM 0 HB2 HIS A 15 -30.294 22.039 14.776 1.00 22.52 H new ATOM 0 HB3 HIS A 15 -30.750 21.297 16.070 1.00 22.52 H new ATOM 0 HD2 HIS A 15 -33.843 21.228 15.801 1.00 21.69 H new ATOM 0 HE1 HIS A 15 -33.402 20.076 12.039 1.00 23.80 H new ATOM 0 HE2 HIS A 15 -34.919 20.285 13.843 1.00 24.29 H new ATOM 98 N ALA A 16 -30.029 25.080 16.703 1.00 20.86 N ATOM 99 CA ALA A 16 -28.950 25.762 17.399 1.00 20.73 C ATOM 100 C ALA A 16 -29.133 25.929 18.902 1.00 21.19 C ATOM 101 O ALA A 16 -28.195 25.708 19.665 1.00 21.29 O ATOM 102 CB ALA A 16 -28.722 27.122 16.762 1.00 19.09 C ATOM 0 H ALA A 16 -30.493 25.595 16.194 1.00 20.86 H new ATOM 0 HA ALA A 16 -28.179 25.182 17.303 1.00 20.73 H new ATOM 0 HB1 ALA A 16 -28.002 27.580 17.224 1.00 19.09 H new ATOM 0 HB2 ALA A 16 -28.484 27.007 15.829 1.00 19.09 H new ATOM 0 HB3 ALA A 16 -29.534 27.649 16.826 1.00 19.09 H new ATOM 103 N ILE A 17 -30.330 26.321 19.334 1.00 20.90 N ATOM 104 CA ILE A 17 -30.577 26.550 20.754 1.00 21.77 C ATOM 105 C ILE A 17 -31.689 25.718 21.392 1.00 22.08 C ATOM 106 O ILE A 17 -32.848 25.775 20.971 1.00 19.21 O ATOM 107 CB ILE A 17 -30.903 28.038 21.006 1.00 22.60 C ATOM 108 CG1 ILE A 17 -29.800 28.923 20.418 1.00 24.45 C ATOM 109 CG2 ILE A 17 -31.036 28.293 22.491 1.00 22.27 C ATOM 110 CD1 ILE A 17 -30.115 30.403 20.468 1.00 24.14 C ATOM 0 H ILE A 17 -31.008 26.459 18.824 1.00 20.90 H new ATOM 0 HA ILE A 17 -29.750 26.268 21.176 1.00 21.77 H new ATOM 0 HB ILE A 17 -31.743 28.255 20.573 1.00 22.60 H new ATOM 0 HG12 ILE A 17 -28.974 28.760 20.900 1.00 24.45 H new ATOM 0 HG13 ILE A 17 -29.646 28.664 19.496 1.00 24.45 H new ATOM 0 HG21 ILE A 17 -31.241 29.229 22.642 1.00 22.27 H new ATOM 0 HG22 ILE A 17 -31.750 27.744 22.851 1.00 22.27 H new ATOM 0 HG23 ILE A 17 -30.202 28.069 22.934 1.00 22.27 H new ATOM 0 HD11 ILE A 17 -29.379 30.904 20.082 1.00 24.14 H new ATOM 0 HD12 ILE A 17 -30.925 30.579 19.964 1.00 24.14 H new ATOM 0 HD13 ILE A 17 -30.243 30.676 21.390 1.00 24.14 H new ATOM 111 N ASP A 18 -31.325 24.951 22.416 1.00 24.35 N ATOM 112 CA ASP A 18 -32.278 24.123 23.159 1.00 25.41 C ATOM 113 C ASP A 18 -31.929 24.218 24.647 1.00 25.84 C ATOM 114 O ASP A 18 -30.885 23.741 25.069 1.00 26.80 O ATOM 115 CB ASP A 18 -32.196 22.661 22.728 1.00 25.65 C ATOM 116 CG ASP A 18 -33.252 21.797 23.404 1.00 27.58 C ATOM 117 OD1 ASP A 18 -33.606 22.081 24.572 1.00 27.18 O ATOM 118 OD2 ASP A 18 -33.723 20.825 22.773 1.00 29.48 O ATOM 0 H ASP A 18 -30.516 24.894 22.702 1.00 24.35 H new ATOM 0 HA ASP A 18 -33.177 24.442 22.983 1.00 25.41 H new ATOM 0 HB2 ASP A 18 -32.302 22.604 21.766 1.00 25.65 H new ATOM 0 HB3 ASP A 18 -31.315 22.314 22.937 1.00 25.65 H new ATOM 119 N ASP A 19 -32.808 24.819 25.439 1.00 24.52 N ATOM 120 CA ASP A 19 -32.561 24.979 26.867 1.00 23.74 C ATOM 121 C ASP A 19 -32.324 23.672 27.631 1.00 24.01 C ATOM 122 O ASP A 19 -31.850 23.705 28.768 1.00 23.88 O ATOM 123 CB ASP A 19 -33.727 25.746 27.508 1.00 25.48 C ATOM 124 CG ASP A 19 -33.453 26.139 28.957 1.00 28.53 C ATOM 125 OD1 ASP A 19 -32.421 26.797 29.212 1.00 28.98 O ATOM 126 OD2 ASP A 19 -34.272 25.808 29.845 1.00 27.37 O ATOM 0 H ASP A 19 -33.557 25.143 25.168 1.00 24.52 H new ATOM 0 HA ASP A 19 -31.731 25.476 26.935 1.00 23.74 H new ATOM 0 HB2 ASP A 19 -33.906 26.546 26.989 1.00 25.48 H new ATOM 0 HB3 ASP A 19 -34.527 25.199 27.472 1.00 25.48 H new ATOM 127 N SER A 20 -32.637 22.526 27.029 1.00 22.82 N ATOM 128 CA SER A 20 -32.449 21.247 27.730 1.00 25.27 C ATOM 129 C SER A 20 -31.016 20.730 27.670 1.00 26.88 C ATOM 130 O SER A 20 -30.658 19.806 28.407 1.00 25.99 O ATOM 131 CB SER A 20 -33.406 20.174 27.186 1.00 25.38 C ATOM 132 OG SER A 20 -33.118 19.843 25.838 1.00 21.69 O ATOM 0 H SER A 20 -32.953 22.462 26.232 1.00 22.82 H new ATOM 0 HA SER A 20 -32.652 21.426 28.661 1.00 25.27 H new ATOM 0 HB2 SER A 20 -33.343 19.377 27.735 1.00 25.38 H new ATOM 0 HB3 SER A 20 -34.320 20.493 27.252 1.00 25.38 H new ATOM 0 HG SER A 20 -33.574 20.329 25.326 1.00 21.69 H new ATOM 133 N GLU A 21 -30.215 21.314 26.777 1.00 27.23 N ATOM 134 CA GLU A 21 -28.798 20.973 26.619 1.00 28.49 C ATOM 135 C GLU A 21 -28.070 22.313 26.740 1.00 27.14 C ATOM 136 O GLU A 21 -28.006 23.080 25.787 1.00 27.67 O ATOM 137 CB GLU A 21 -28.530 20.357 25.247 1.00 30.30 C ATOM 138 CG GLU A 21 -28.965 21.230 24.097 1.00 39.65 C ATOM 139 CD GLU A 21 -28.128 21.016 22.853 1.00 44.46 C ATOM 140 OE1 GLU A 21 -28.345 21.739 21.856 1.00 44.09 O ATOM 141 OE2 GLU A 21 -27.255 20.124 22.874 1.00 47.82 O ATOM 0 H GLU A 21 -30.483 21.928 26.238 1.00 27.23 H new ATOM 0 HA GLU A 21 -28.507 20.321 27.276 1.00 28.49 H new ATOM 0 HB2 GLU A 21 -27.581 20.174 25.163 1.00 30.30 H new ATOM 0 HB3 GLU A 21 -28.990 19.505 25.188 1.00 30.30 H new ATOM 0 HG2 GLU A 21 -29.895 21.048 23.892 1.00 39.65 H new ATOM 0 HG3 GLU A 21 -28.910 22.161 24.363 1.00 39.65 H new ATOM 142 N LYS A 22 -27.548 22.593 27.931 1.00 27.61 N ATOM 143 CA LYS A 22 -26.855 23.847 28.222 1.00 26.30 C ATOM 144 C LYS A 22 -25.607 23.975 27.363 1.00 26.97 C ATOM 145 O LYS A 22 -24.478 23.916 27.863 1.00 25.64 O ATOM 146 CB LYS A 22 -26.491 23.883 29.706 1.00 28.37 C ATOM 147 CG LYS A 22 -27.631 23.470 30.628 1.00 28.81 C ATOM 148 CD LYS A 22 -28.768 24.459 30.564 1.00 26.38 C ATOM 149 CE LYS A 22 -29.916 24.017 31.447 1.00 28.29 C ATOM 150 NZ LYS A 22 -31.012 25.007 31.412 1.00 28.96 N ATOM 0 H LYS A 22 -27.586 22.055 28.601 1.00 27.61 H new ATOM 0 HA LYS A 22 -27.438 24.594 28.016 1.00 26.30 H new ATOM 0 HB2 LYS A 22 -25.734 23.297 29.859 1.00 28.37 H new ATOM 0 HB3 LYS A 22 -26.206 24.781 29.939 1.00 28.37 H new ATOM 0 HG2 LYS A 22 -27.950 22.589 30.377 1.00 28.81 H new ATOM 0 HG3 LYS A 22 -27.306 23.405 31.540 1.00 28.81 H new ATOM 0 HD2 LYS A 22 -28.457 25.334 30.844 1.00 26.38 H new ATOM 0 HD3 LYS A 22 -29.074 24.547 29.648 1.00 26.38 H new ATOM 0 HE2 LYS A 22 -30.244 23.154 31.151 1.00 28.29 H new ATOM 0 HE3 LYS A 22 -29.604 23.905 32.359 1.00 28.29 H new ATOM 0 HZ1 LYS A 22 -31.524 24.909 32.133 1.00 28.96 H new ATOM 0 HZ2 LYS A 22 -30.670 25.829 31.402 1.00 28.96 H new ATOM 0 HZ3 LYS A 22 -31.503 24.881 30.680 1.00 28.96 H new HETATM 151 N MSE A 23 -25.811 24.195 26.072 1.00 26.04 N HETATM 152 CA MSE A 23 -24.693 24.254 25.160 1.00 28.92 C HETATM 153 C MSE A 23 -25.097 24.993 23.892 1.00 25.85 C HETATM 154 O MSE A 23 -26.192 24.778 23.396 1.00 24.20 O HETATM 155 CB MSE A 23 -24.333 22.818 24.838 1.00 39.26 C HETATM 156 CG MSE A 23 -23.061 22.596 24.115 1.00 53.77 C HETATM 157 SE MSE A 23 -23.027 20.724 23.775 1.00 73.15 SE HETATM 158 CE MSE A 23 -23.467 20.802 21.889 1.00 66.37 C HETATM 0 H MSE A 23 -26.583 24.311 25.711 1.00 26.04 H new HETATM 0 HA MSE A 23 -23.940 24.726 25.549 1.00 28.92 H new HETATM 0 HB2 MSE A 23 -24.299 22.321 25.670 1.00 39.26 H new HETATM 0 HB3 MSE A 23 -25.052 22.437 24.310 1.00 39.26 H new HETATM 0 HG2 MSE A 23 -23.030 23.105 23.290 1.00 53.77 H new HETATM 0 HG3 MSE A 23 -22.299 22.872 24.648 1.00 53.77 H new HETATM 0 HE1 MSE A 23 -23.497 19.903 21.526 1.00 66.37 H new HETATM 0 HE2 MSE A 23 -24.333 21.225 21.776 1.00 66.37 H new HETATM 0 HE3 MSE A 23 -22.792 21.317 21.420 1.00 66.37 H new ATOM 159 N ILE A 24 -24.226 25.863 23.379 1.00 21.75 N ATOM 160 CA ILE A 24 -24.510 26.605 22.151 1.00 20.76 C ATOM 161 C ILE A 24 -23.274 26.657 21.261 1.00 20.75 C ATOM 162 O ILE A 24 -22.256 27.235 21.632 1.00 20.91 O ATOM 163 CB ILE A 24 -24.955 28.058 22.434 1.00 21.24 C ATOM 164 CG1 ILE A 24 -26.283 28.051 23.183 1.00 20.95 C ATOM 165 CG2 ILE A 24 -25.081 28.850 21.113 1.00 21.65 C ATOM 166 CD1 ILE A 24 -26.756 29.436 23.561 1.00 19.40 C ATOM 0 H ILE A 24 -23.461 26.038 23.730 1.00 21.75 H new ATOM 0 HA ILE A 24 -25.233 26.134 21.709 1.00 20.76 H new ATOM 0 HB ILE A 24 -24.285 28.493 22.985 1.00 21.24 H new ATOM 0 HG12 ILE A 24 -26.957 27.624 22.632 1.00 20.95 H new ATOM 0 HG13 ILE A 24 -26.192 27.515 23.987 1.00 20.95 H new ATOM 0 HG21 ILE A 24 -25.361 29.759 21.306 1.00 21.65 H new ATOM 0 HG22 ILE A 24 -24.223 28.865 20.661 1.00 21.65 H new ATOM 0 HG23 ILE A 24 -25.739 28.424 20.542 1.00 21.65 H new ATOM 0 HD11 ILE A 24 -27.601 29.372 24.033 1.00 19.40 H new ATOM 0 HD12 ILE A 24 -26.097 29.858 24.134 1.00 19.40 H new ATOM 0 HD13 ILE A 24 -26.874 29.968 22.759 1.00 19.40 H new ATOM 167 N ILE A 25 -23.373 26.053 20.082 1.00 18.60 N ATOM 168 CA ILE A 25 -22.277 26.033 19.120 1.00 17.41 C ATOM 169 C ILE A 25 -22.226 27.316 18.289 1.00 17.41 C ATOM 170 O ILE A 25 -23.205 27.681 17.635 1.00 18.00 O ATOM 171 CB ILE A 25 -22.443 24.873 18.122 1.00 17.95 C ATOM 172 CG1 ILE A 25 -22.505 23.538 18.868 1.00 17.35 C ATOM 173 CG2 ILE A 25 -21.300 24.907 17.097 1.00 16.02 C ATOM 174 CD1 ILE A 25 -22.779 22.355 17.958 1.00 18.76 C ATOM 0 H ILE A 25 -24.080 25.642 19.816 1.00 18.60 H new ATOM 0 HA ILE A 25 -21.466 25.936 19.643 1.00 17.41 H new ATOM 0 HB ILE A 25 -23.279 24.972 17.640 1.00 17.95 H new ATOM 0 HG12 ILE A 25 -21.665 23.394 19.331 1.00 17.35 H new ATOM 0 HG13 ILE A 25 -23.198 23.585 19.545 1.00 17.35 H new ATOM 0 HG21 ILE A 25 -21.406 24.175 16.469 1.00 16.02 H new ATOM 0 HG22 ILE A 25 -21.320 25.750 16.617 1.00 16.02 H new ATOM 0 HG23 ILE A 25 -20.450 24.817 17.556 1.00 16.02 H new ATOM 0 HD11 ILE A 25 -22.807 21.541 18.485 1.00 18.76 H new ATOM 0 HD12 ILE A 25 -23.631 22.480 17.512 1.00 18.76 H new ATOM 0 HD13 ILE A 25 -22.074 22.287 17.295 1.00 18.76 H new ATOM 175 N LEU A 26 -21.082 27.988 18.304 1.00 15.94 N ATOM 176 CA LEU A 26 -20.896 29.197 17.505 1.00 15.13 C ATOM 177 C LEU A 26 -20.075 28.795 16.295 1.00 15.59 C ATOM 178 O LEU A 26 -19.287 27.847 16.363 1.00 14.36 O ATOM 179 CB LEU A 26 -20.125 30.270 18.279 1.00 15.20 C ATOM 180 CG LEU A 26 -20.756 30.825 19.557 1.00 15.87 C ATOM 181 CD1 LEU A 26 -19.860 31.901 20.137 1.00 12.88 C ATOM 182 CD2 LEU A 26 -22.127 31.384 19.241 1.00 14.25 C ATOM 0 H LEU A 26 -20.397 27.761 18.772 1.00 15.94 H new ATOM 0 HA LEU A 26 -21.760 29.566 17.265 1.00 15.13 H new ATOM 0 HB2 LEU A 26 -19.257 29.904 18.511 1.00 15.20 H new ATOM 0 HB3 LEU A 26 -19.967 31.015 17.678 1.00 15.20 H new ATOM 0 HG LEU A 26 -20.853 30.116 20.212 1.00 15.87 H new ATOM 0 HD11 LEU A 26 -20.260 32.253 20.948 1.00 12.88 H new ATOM 0 HD12 LEU A 26 -18.991 31.522 20.344 1.00 12.88 H new ATOM 0 HD13 LEU A 26 -19.755 32.617 19.491 1.00 12.88 H new ATOM 0 HD21 LEU A 26 -22.528 31.736 20.051 1.00 14.25 H new ATOM 0 HD22 LEU A 26 -22.044 32.095 18.586 1.00 14.25 H new ATOM 0 HD23 LEU A 26 -22.689 30.679 18.883 1.00 14.25 H new ATOM 183 N PHE A 27 -20.281 29.504 15.189 1.00 14.77 N ATOM 184 CA PHE A 27 -19.542 29.239 13.970 1.00 15.62 C ATOM 185 C PHE A 27 -19.524 30.523 13.167 1.00 15.93 C ATOM 186 O PHE A 27 -20.431 31.352 13.287 1.00 16.63 O ATOM 187 CB PHE A 27 -20.204 28.120 13.147 1.00 16.57 C ATOM 188 CG PHE A 27 -19.227 27.286 12.355 1.00 15.03 C ATOM 189 CD1 PHE A 27 -18.794 26.058 12.838 1.00 16.23 C ATOM 190 CD2 PHE A 27 -18.714 27.742 11.142 1.00 15.08 C ATOM 191 CE1 PHE A 27 -17.866 25.298 12.125 1.00 15.14 C ATOM 192 CE2 PHE A 27 -17.789 26.993 10.426 1.00 13.53 C ATOM 193 CZ PHE A 27 -17.363 25.767 10.918 1.00 14.76 C ATOM 0 H PHE A 27 -20.849 30.146 15.128 1.00 14.77 H new ATOM 0 HA PHE A 27 -18.643 28.945 14.187 1.00 15.62 H new ATOM 0 HB2 PHE A 27 -20.700 27.540 13.746 1.00 16.57 H new ATOM 0 HB3 PHE A 27 -20.847 28.515 12.538 1.00 16.57 H new ATOM 0 HD1 PHE A 27 -19.126 25.739 13.646 1.00 16.23 H new ATOM 0 HD2 PHE A 27 -18.996 28.562 10.806 1.00 15.08 H new ATOM 0 HE1 PHE A 27 -17.584 24.477 12.458 1.00 15.14 H new ATOM 0 HE2 PHE A 27 -17.456 27.312 9.619 1.00 13.53 H new ATOM 0 HZ PHE A 27 -16.744 25.262 10.442 1.00 14.76 H new ATOM 194 N GLY A 28 -18.478 30.688 12.362 1.00 16.61 N ATOM 195 CA GLY A 28 -18.340 31.867 11.533 1.00 16.22 C ATOM 196 C GLY A 28 -19.059 31.739 10.208 1.00 17.42 C ATOM 197 O GLY A 28 -19.799 30.786 9.968 1.00 14.35 O ATOM 0 H GLY A 28 -17.836 30.121 12.285 1.00 16.61 H new ATOM 0 HA2 GLY A 28 -18.687 32.636 12.012 1.00 16.22 H new ATOM 0 HA3 GLY A 28 -17.399 32.035 11.371 1.00 16.22 H new ATOM 198 N GLU A 29 -18.800 32.704 9.339 1.00 19.89 N ATOM 199 CA GLU A 29 -19.420 32.795 8.022 1.00 24.25 C ATOM 200 C GLU A 29 -19.078 31.703 6.991 1.00 22.42 C ATOM 201 O GLU A 29 -19.745 31.604 5.971 1.00 23.13 O ATOM 202 CB GLU A 29 -19.111 34.184 7.436 1.00 29.45 C ATOM 203 CG GLU A 29 -20.334 35.007 7.006 1.00 38.12 C ATOM 204 CD GLU A 29 -20.387 36.407 7.640 1.00 42.46 C ATOM 205 OE1 GLU A 29 -19.339 37.083 7.721 1.00 43.74 O ATOM 206 OE2 GLU A 29 -21.487 36.833 8.047 1.00 45.18 O ATOM 0 H GLU A 29 -18.245 33.341 9.500 1.00 19.89 H new ATOM 0 HA GLU A 29 -20.365 32.649 8.186 1.00 24.25 H new ATOM 0 HB2 GLU A 29 -18.614 34.693 8.096 1.00 29.45 H new ATOM 0 HB3 GLU A 29 -18.530 34.072 6.668 1.00 29.45 H new ATOM 0 HG2 GLU A 29 -20.330 35.097 6.040 1.00 38.12 H new ATOM 0 HG3 GLU A 29 -21.140 34.522 7.243 1.00 38.12 H new ATOM 207 N THR A 30 -18.057 30.889 7.237 1.00 23.01 N ATOM 208 CA THR A 30 -17.710 29.851 6.267 1.00 21.30 C ATOM 209 C THR A 30 -18.512 28.567 6.434 1.00 21.89 C ATOM 210 O THR A 30 -18.272 27.578 5.748 1.00 22.73 O ATOM 211 CB THR A 30 -16.214 29.504 6.318 1.00 22.88 C ATOM 212 OG1 THR A 30 -15.897 28.884 7.571 1.00 20.23 O ATOM 213 CG2 THR A 30 -15.394 30.769 6.154 1.00 23.97 C ATOM 0 H THR A 30 -17.562 30.917 7.940 1.00 23.01 H new ATOM 0 HA THR A 30 -17.934 30.235 5.405 1.00 21.30 H new ATOM 0 HB THR A 30 -16.006 28.888 5.598 1.00 22.88 H new ATOM 0 HG1 THR A 30 -15.159 28.487 7.509 1.00 20.23 H new ATOM 0 HG21 THR A 30 -14.450 30.549 6.186 1.00 23.97 H new ATOM 0 HG22 THR A 30 -15.601 31.180 5.300 1.00 23.97 H new ATOM 0 HG23 THR A 30 -15.606 31.388 6.870 1.00 23.97 H new ATOM 214 N ALA A 31 -19.479 28.584 7.335 1.00 20.38 N ATOM 215 CA ALA A 31 -20.306 27.410 7.561 1.00 19.75 C ATOM 216 C ALA A 31 -21.255 27.156 6.390 1.00 18.82 C ATOM 217 O ALA A 31 -21.769 28.092 5.774 1.00 16.22 O ATOM 218 CB ALA A 31 -21.111 27.590 8.843 1.00 21.59 C ATOM 0 H ALA A 31 -19.674 29.263 7.826 1.00 20.38 H new ATOM 0 HA ALA A 31 -19.719 26.642 7.643 1.00 19.75 H new ATOM 0 HB1 ALA A 31 -21.662 26.806 8.992 1.00 21.59 H new ATOM 0 HB2 ALA A 31 -20.506 27.706 9.592 1.00 21.59 H new ATOM 0 HB3 ALA A 31 -21.678 28.373 8.762 1.00 21.59 H new ATOM 219 N THR A 32 -21.484 25.882 6.089 1.00 19.99 N ATOM 220 CA THR A 32 -22.405 25.515 5.026 1.00 21.59 C ATOM 221 C THR A 32 -23.749 25.191 5.671 1.00 23.38 C ATOM 222 O THR A 32 -23.836 25.038 6.882 1.00 24.28 O ATOM 223 CB THR A 32 -21.897 24.301 4.231 1.00 22.69 C ATOM 224 OG1 THR A 32 -21.553 23.249 5.136 1.00 22.76 O ATOM 225 CG2 THR A 32 -20.670 24.680 3.399 1.00 22.58 C ATOM 0 H THR A 32 -21.115 25.217 6.490 1.00 19.99 H new ATOM 0 HA THR A 32 -22.487 26.251 4.400 1.00 21.59 H new ATOM 0 HB THR A 32 -22.600 24.003 3.632 1.00 22.69 H new ATOM 0 HG1 THR A 32 -21.961 22.548 4.919 1.00 22.76 H new ATOM 0 HG21 THR A 32 -20.362 23.905 2.904 1.00 22.58 H new ATOM 0 HG22 THR A 32 -20.906 25.387 2.778 1.00 22.58 H new ATOM 0 HG23 THR A 32 -19.963 24.989 3.987 1.00 22.58 H new ATOM 226 N ASP A 33 -24.794 25.073 4.864 1.00 26.19 N ATOM 227 CA ASP A 33 -26.134 24.808 5.384 1.00 27.33 C ATOM 228 C ASP A 33 -26.295 23.639 6.365 1.00 26.86 C ATOM 229 O ASP A 33 -26.987 23.777 7.381 1.00 26.55 O ATOM 230 CB ASP A 33 -27.107 24.637 4.218 1.00 32.42 C ATOM 231 CG ASP A 33 -27.158 25.865 3.322 1.00 36.86 C ATOM 232 OD1 ASP A 33 -27.271 26.988 3.857 1.00 41.52 O ATOM 233 OD2 ASP A 33 -27.088 25.709 2.085 1.00 38.91 O ATOM 0 H ASP A 33 -24.751 25.143 4.008 1.00 26.19 H new ATOM 0 HA ASP A 33 -26.332 25.589 5.925 1.00 27.33 H new ATOM 0 HB2 ASP A 33 -26.845 23.866 3.691 1.00 32.42 H new ATOM 0 HB3 ASP A 33 -27.995 24.455 4.564 1.00 32.42 H new ATOM 234 N THR A 34 -25.670 22.502 6.065 1.00 25.72 N ATOM 235 CA THR A 34 -25.755 21.318 6.924 1.00 25.51 C ATOM 236 C THR A 34 -25.230 21.590 8.332 1.00 23.00 C ATOM 237 O THR A 34 -25.656 20.956 9.298 1.00 24.79 O ATOM 238 CB THR A 34 -24.958 20.133 6.326 1.00 26.26 C ATOM 239 OG1 THR A 34 -25.381 19.904 4.979 1.00 31.11 O ATOM 240 CG2 THR A 34 -25.193 18.871 7.121 1.00 28.87 C ATOM 0 H THR A 34 -25.187 22.394 5.362 1.00 25.72 H new ATOM 0 HA THR A 34 -26.697 21.091 6.976 1.00 25.51 H new ATOM 0 HB THR A 34 -24.015 20.358 6.354 1.00 26.26 H new ATOM 0 HG1 THR A 34 -26.117 20.287 4.847 1.00 31.11 H new ATOM 0 HG21 THR A 34 -24.685 18.143 6.730 1.00 28.87 H new ATOM 0 HG22 THR A 34 -24.907 19.008 8.038 1.00 28.87 H new ATOM 0 HG23 THR A 34 -26.137 18.650 7.107 1.00 28.87 H new ATOM 241 N LEU A 35 -24.295 22.524 8.444 1.00 18.89 N ATOM 242 CA LEU A 35 -23.727 22.869 9.741 1.00 18.59 C ATOM 243 C LEU A 35 -24.464 24.038 10.389 1.00 20.38 C ATOM 244 O LEU A 35 -24.460 24.172 11.614 1.00 21.31 O ATOM 245 CB LEU A 35 -22.250 23.228 9.601 1.00 16.25 C ATOM 246 CG LEU A 35 -21.369 22.216 8.881 1.00 15.02 C ATOM 247 CD1 LEU A 35 -19.958 22.777 8.829 1.00 16.11 C ATOM 248 CD2 LEU A 35 -21.408 20.872 9.589 1.00 13.91 C ATOM 0 H LEU A 35 -23.975 22.970 7.782 1.00 18.89 H new ATOM 0 HA LEU A 35 -23.824 22.089 10.310 1.00 18.59 H new ATOM 0 HB2 LEU A 35 -22.187 24.074 9.131 1.00 16.25 H new ATOM 0 HB3 LEU A 35 -21.887 23.369 10.489 1.00 16.25 H new ATOM 0 HG LEU A 35 -21.693 22.067 7.979 1.00 15.02 H new ATOM 0 HD11 LEU A 35 -19.376 22.148 8.374 1.00 16.11 H new ATOM 0 HD12 LEU A 35 -19.962 23.620 8.349 1.00 16.11 H new ATOM 0 HD13 LEU A 35 -19.634 22.922 9.732 1.00 16.11 H new ATOM 0 HD21 LEU A 35 -20.842 20.241 9.117 1.00 13.91 H new ATOM 0 HD22 LEU A 35 -21.088 20.976 10.499 1.00 13.91 H new ATOM 0 HD23 LEU A 35 -22.319 20.540 9.604 1.00 13.91 H new ATOM 249 N LYS A 36 -25.096 24.881 9.573 1.00 18.94 N ATOM 250 CA LYS A 36 -25.825 26.033 10.090 1.00 19.29 C ATOM 251 C LYS A 36 -27.028 25.659 10.941 1.00 19.43 C ATOM 252 O LYS A 36 -27.348 26.339 11.905 1.00 21.44 O ATOM 253 CB LYS A 36 -26.272 26.940 8.944 1.00 17.84 C ATOM 254 CG LYS A 36 -25.156 27.801 8.381 1.00 20.17 C ATOM 255 CD LYS A 36 -25.633 28.612 7.193 1.00 19.50 C ATOM 256 CE LYS A 36 -24.545 29.517 6.676 1.00 20.21 C ATOM 257 NZ LYS A 36 -25.079 30.419 5.613 1.00 24.10 N ATOM 0 H LYS A 36 -25.113 24.802 8.717 1.00 18.94 H new ATOM 0 HA LYS A 36 -25.205 26.503 10.669 1.00 19.29 H new ATOM 0 HB2 LYS A 36 -26.639 26.392 8.232 1.00 17.84 H new ATOM 0 HB3 LYS A 36 -26.988 27.515 9.257 1.00 17.84 H new ATOM 0 HG2 LYS A 36 -24.825 28.397 9.071 1.00 20.17 H new ATOM 0 HG3 LYS A 36 -24.413 27.237 8.113 1.00 20.17 H new ATOM 0 HD2 LYS A 36 -25.923 28.014 6.486 1.00 19.50 H new ATOM 0 HD3 LYS A 36 -26.403 29.143 7.449 1.00 19.50 H new ATOM 0 HE2 LYS A 36 -24.182 30.045 7.404 1.00 20.21 H new ATOM 0 HE3 LYS A 36 -23.816 28.985 6.321 1.00 20.21 H new ATOM 0 HZ1 LYS A 36 -24.403 30.754 5.141 1.00 24.10 H new ATOM 0 HZ2 LYS A 36 -25.617 29.958 5.074 1.00 24.10 H new ATOM 0 HZ3 LYS A 36 -25.536 31.084 5.989 1.00 24.10 H new ATOM 258 N GLN A 37 -27.698 24.577 10.589 1.00 19.82 N ATOM 259 CA GLN A 37 -28.858 24.153 11.351 1.00 21.25 C ATOM 260 C GLN A 37 -28.532 23.937 12.828 1.00 22.01 C ATOM 261 O GLN A 37 -29.424 24.026 13.682 1.00 19.80 O ATOM 262 CB GLN A 37 -29.421 22.853 10.771 1.00 25.21 C ATOM 263 CG GLN A 37 -28.384 21.756 10.631 1.00 28.01 C ATOM 264 CD GLN A 37 -28.976 20.422 10.233 1.00 31.06 C ATOM 265 OE1 GLN A 37 -28.277 19.557 9.709 1.00 31.58 O ATOM 266 NE2 GLN A 37 -30.266 20.239 10.497 1.00 31.16 N ATOM 0 H GLN A 37 -27.501 24.077 9.918 1.00 19.82 H new ATOM 0 HA GLN A 37 -29.515 24.864 11.287 1.00 21.25 H new ATOM 0 HB2 GLN A 37 -30.140 22.538 11.340 1.00 25.21 H new ATOM 0 HB3 GLN A 37 -29.808 23.036 9.900 1.00 25.21 H new ATOM 0 HG2 GLN A 37 -27.728 22.022 9.968 1.00 28.01 H new ATOM 0 HG3 GLN A 37 -27.913 21.656 11.473 1.00 28.01 H new ATOM 0 HE21 GLN A 37 -30.723 20.868 10.865 1.00 31.16 H new ATOM 0 HE22 GLN A 37 -30.643 19.492 10.300 1.00 31.16 H new ATOM 267 N HIS A 38 -27.254 23.674 13.120 1.00 20.44 N ATOM 268 CA HIS A 38 -26.795 23.388 14.482 1.00 20.33 C ATOM 269 C HIS A 38 -26.131 24.524 15.220 1.00 20.21 C ATOM 270 O HIS A 38 -25.777 24.372 16.394 1.00 19.98 O ATOM 271 CB HIS A 38 -25.785 22.250 14.469 1.00 21.41 C ATOM 272 CG HIS A 38 -26.287 20.993 13.841 1.00 23.64 C ATOM 273 ND1 HIS A 38 -27.245 20.196 14.432 1.00 23.10 N ATOM 274 CD2 HIS A 38 -25.941 20.376 12.686 1.00 23.46 C ATOM 275 CE1 HIS A 38 -27.464 19.142 13.667 1.00 24.70 C ATOM 276 NE2 HIS A 38 -26.685 19.227 12.602 1.00 24.14 N ATOM 0 H HIS A 38 -26.628 23.657 12.531 1.00 20.44 H new ATOM 0 HA HIS A 38 -27.619 23.179 14.950 1.00 20.33 H new ATOM 0 HB2 HIS A 38 -24.991 22.542 13.995 1.00 21.41 H new ATOM 0 HB3 HIS A 38 -25.517 22.059 15.381 1.00 21.41 H new ATOM 0 HD2 HIS A 38 -25.316 20.675 12.066 1.00 23.46 H new ATOM 0 HE1 HIS A 38 -28.065 18.456 13.847 1.00 24.70 H new ATOM 0 HE2 HIS A 38 -26.650 18.655 11.961 1.00 24.14 H new ATOM 277 N ALA A 39 -25.957 25.663 14.569 1.00 19.87 N ATOM 278 CA ALA A 39 -25.250 26.728 15.245 1.00 20.36 C ATOM 279 C ALA A 39 -25.762 28.146 15.120 1.00 21.25 C ATOM 280 O ALA A 39 -26.630 28.459 14.306 1.00 20.60 O ATOM 281 CB ALA A 39 -23.796 26.694 14.808 1.00 21.51 C ATOM 0 H ALA A 39 -26.228 25.834 13.771 1.00 19.87 H new ATOM 0 HA ALA A 39 -25.396 26.528 16.183 1.00 20.36 H new ATOM 0 HB1 ALA A 39 -23.307 27.404 15.253 1.00 21.51 H new ATOM 0 HB2 ALA A 39 -23.407 25.837 15.043 1.00 21.51 H new ATOM 0 HB3 ALA A 39 -23.744 26.819 13.848 1.00 21.51 H new ATOM 282 N VAL A 40 -25.190 28.994 15.970 1.00 18.88 N ATOM 283 CA VAL A 40 -25.455 30.417 15.974 1.00 18.75 C ATOM 284 C VAL A 40 -24.285 30.949 15.132 1.00 20.12 C ATOM 285 O VAL A 40 -23.119 30.765 15.485 1.00 18.69 O ATOM 286 CB VAL A 40 -25.400 30.978 17.410 1.00 17.15 C ATOM 287 CG1 VAL A 40 -25.286 32.481 17.382 1.00 15.44 C ATOM 288 CG2 VAL A 40 -26.647 30.547 18.173 1.00 16.13 C ATOM 0 H VAL A 40 -24.626 28.747 16.571 1.00 18.88 H new ATOM 0 HA VAL A 40 -26.330 30.661 15.635 1.00 18.75 H new ATOM 0 HB VAL A 40 -24.617 30.625 17.861 1.00 17.15 H new ATOM 0 HG11 VAL A 40 -25.252 32.820 18.290 1.00 15.44 H new ATOM 0 HG12 VAL A 40 -24.477 32.736 16.912 1.00 15.44 H new ATOM 0 HG13 VAL A 40 -26.056 32.856 16.926 1.00 15.44 H new ATOM 0 HG21 VAL A 40 -26.612 30.900 19.076 1.00 16.13 H new ATOM 0 HG22 VAL A 40 -27.436 30.888 17.723 1.00 16.13 H new ATOM 0 HG23 VAL A 40 -26.688 29.578 18.206 1.00 16.13 H new ATOM 289 N ILE A 41 -24.600 31.554 13.994 1.00 19.51 N ATOM 290 CA ILE A 41 -23.576 32.089 13.101 1.00 17.94 C ATOM 291 C ILE A 41 -23.198 33.509 13.500 1.00 17.19 C ATOM 292 O ILE A 41 -24.063 34.371 13.656 1.00 15.15 O ATOM 293 CB ILE A 41 -24.065 32.099 11.637 1.00 17.55 C ATOM 294 CG1 ILE A 41 -24.545 30.695 11.238 1.00 17.65 C ATOM 295 CG2 ILE A 41 -22.955 32.611 10.724 1.00 15.67 C ATOM 296 CD1 ILE A 41 -23.569 29.567 11.569 1.00 18.33 C ATOM 0 H ILE A 41 -25.406 31.666 13.717 1.00 19.51 H new ATOM 0 HA ILE A 41 -22.800 31.512 13.176 1.00 17.94 H new ATOM 0 HB ILE A 41 -24.819 32.702 11.544 1.00 17.55 H new ATOM 0 HG12 ILE A 41 -25.389 30.517 11.682 1.00 17.65 H new ATOM 0 HG13 ILE A 41 -24.719 30.685 10.284 1.00 17.65 H new ATOM 0 HG21 ILE A 41 -23.267 32.615 9.806 1.00 15.67 H new ATOM 0 HG22 ILE A 41 -22.710 33.512 10.986 1.00 15.67 H new ATOM 0 HG23 ILE A 41 -22.181 32.031 10.799 1.00 15.67 H new ATOM 0 HD11 ILE A 41 -23.946 28.719 11.286 1.00 18.33 H new ATOM 0 HD12 ILE A 41 -22.730 29.718 11.105 1.00 18.33 H new ATOM 0 HD13 ILE A 41 -23.410 29.547 12.526 1.00 18.33 H new ATOM 297 N GLN A 42 -21.896 33.747 13.655 1.00 18.21 N ATOM 298 CA GLN A 42 -21.414 35.059 14.058 1.00 18.09 C ATOM 299 C GLN A 42 -20.426 35.718 13.088 1.00 21.21 C ATOM 300 O GLN A 42 -19.617 35.045 12.449 1.00 21.55 O ATOM 301 CB GLN A 42 -20.764 34.970 15.450 1.00 17.23 C ATOM 302 CG GLN A 42 -19.566 34.022 15.542 1.00 14.68 C ATOM 303 CD GLN A 42 -18.798 34.154 16.861 1.00 16.88 C ATOM 304 OE1 GLN A 42 -18.886 35.176 17.552 1.00 15.93 O ATOM 305 NE2 GLN A 42 -18.026 33.125 17.201 1.00 14.92 N ATOM 0 H GLN A 42 -21.279 33.161 13.531 1.00 18.21 H new ATOM 0 HA GLN A 42 -22.201 35.626 14.063 1.00 18.09 H new ATOM 0 HB2 GLN A 42 -20.479 35.858 15.717 1.00 17.23 H new ATOM 0 HB3 GLN A 42 -21.436 34.684 16.089 1.00 17.23 H new ATOM 0 HG2 GLN A 42 -19.875 33.108 15.444 1.00 14.68 H new ATOM 0 HG3 GLN A 42 -18.963 34.199 14.803 1.00 14.68 H new ATOM 0 HE21 GLN A 42 -17.989 32.430 16.696 1.00 14.92 H new ATOM 0 HE22 GLN A 42 -17.564 33.155 17.926 1.00 14.92 H new ATOM 306 N SER A 43 -20.537 37.039 12.969 1.00 21.85 N ATOM 307 CA SER A 43 -19.629 37.848 12.164 1.00 21.62 C ATOM 308 C SER A 43 -18.718 38.374 13.263 1.00 21.39 C ATOM 309 O SER A 43 -19.124 39.209 14.077 1.00 21.32 O ATOM 310 CB SER A 43 -20.368 39.010 11.490 1.00 21.18 C ATOM 311 OG SER A 43 -19.463 39.952 10.951 1.00 19.30 O ATOM 0 H SER A 43 -21.152 37.496 13.360 1.00 21.85 H new ATOM 0 HA SER A 43 -19.191 37.372 11.441 1.00 21.62 H new ATOM 0 HB2 SER A 43 -20.939 38.667 10.785 1.00 21.18 H new ATOM 0 HB3 SER A 43 -20.946 39.446 12.136 1.00 21.18 H new ATOM 0 HG SER A 43 -19.558 40.688 11.344 1.00 19.30 H new ATOM 312 N PHE A 44 -17.501 37.844 13.309 1.00 22.48 N ATOM 313 CA PHE A 44 -16.514 38.209 14.323 1.00 21.93 C ATOM 314 C PHE A 44 -15.320 38.788 13.550 1.00 23.75 C ATOM 315 O PHE A 44 -14.379 38.072 13.203 1.00 21.74 O ATOM 316 CB PHE A 44 -16.132 36.930 15.089 1.00 20.72 C ATOM 317 CG PHE A 44 -15.353 37.157 16.364 1.00 19.99 C ATOM 318 CD1 PHE A 44 -14.982 36.065 17.158 1.00 20.05 C ATOM 319 CD2 PHE A 44 -14.952 38.429 16.757 1.00 19.18 C ATOM 320 CE1 PHE A 44 -14.219 36.242 18.317 1.00 19.22 C ATOM 321 CE2 PHE A 44 -14.190 38.615 17.915 1.00 19.52 C ATOM 322 CZ PHE A 44 -13.823 37.521 18.693 1.00 19.91 C ATOM 0 H PHE A 44 -17.221 37.256 12.747 1.00 22.48 H new ATOM 0 HA PHE A 44 -16.837 38.858 14.968 1.00 21.93 H new ATOM 0 HB2 PHE A 44 -16.943 36.444 15.304 1.00 20.72 H new ATOM 0 HB3 PHE A 44 -15.608 36.362 14.502 1.00 20.72 H new ATOM 0 HD1 PHE A 44 -15.247 35.208 16.911 1.00 20.05 H new ATOM 0 HD2 PHE A 44 -15.194 39.166 16.243 1.00 19.18 H new ATOM 0 HE1 PHE A 44 -13.978 35.508 18.834 1.00 19.22 H new ATOM 0 HE2 PHE A 44 -13.928 39.471 18.166 1.00 19.52 H new ATOM 0 HZ PHE A 44 -13.315 37.645 19.462 1.00 19.91 H new ATOM 323 N PRO A 45 -15.354 40.100 13.264 1.00 25.48 N ATOM 324 CA PRO A 45 -14.287 40.780 12.520 1.00 25.43 C ATOM 325 C PRO A 45 -12.867 40.649 13.059 1.00 25.31 C ATOM 326 O PRO A 45 -11.909 40.650 12.287 1.00 25.80 O ATOM 327 CB PRO A 45 -14.758 42.234 12.496 1.00 23.89 C ATOM 328 CG PRO A 45 -16.252 42.101 12.506 1.00 25.25 C ATOM 329 CD PRO A 45 -16.450 41.036 13.564 1.00 24.13 C ATOM 0 HA PRO A 45 -14.180 40.366 11.649 1.00 25.43 H new ATOM 0 HB2 PRO A 45 -14.436 42.729 13.265 1.00 23.89 H new ATOM 0 HB3 PRO A 45 -14.444 42.701 11.706 1.00 23.89 H new ATOM 0 HG2 PRO A 45 -16.692 42.934 12.739 1.00 25.25 H new ATOM 0 HG3 PRO A 45 -16.600 41.828 11.643 1.00 25.25 H new ATOM 0 HD2 PRO A 45 -16.383 41.398 14.461 1.00 24.13 H new ATOM 0 HD3 PRO A 45 -17.319 40.612 13.494 1.00 24.13 H new ATOM 330 N GLU A 46 -12.731 40.516 14.375 1.00 23.96 N ATOM 331 CA GLU A 46 -11.407 40.436 14.997 1.00 23.11 C ATOM 332 C GLU A 46 -11.071 39.099 15.629 1.00 21.31 C ATOM 333 O GLU A 46 -10.264 39.030 16.546 1.00 20.66 O ATOM 334 CB GLU A 46 -11.297 41.536 16.043 1.00 23.66 C ATOM 335 CG GLU A 46 -11.903 42.817 15.551 1.00 27.43 C ATOM 336 CD GLU A 46 -11.983 43.859 16.612 1.00 31.04 C ATOM 337 OE1 GLU A 46 -10.938 44.460 16.924 1.00 33.17 O ATOM 338 OE2 GLU A 46 -13.093 44.072 17.139 1.00 32.32 O ATOM 0 H GLU A 46 -13.389 40.470 14.926 1.00 23.96 H new ATOM 0 HA GLU A 46 -10.763 40.546 14.280 1.00 23.11 H new ATOM 0 HB2 GLU A 46 -11.743 41.256 16.858 1.00 23.66 H new ATOM 0 HB3 GLU A 46 -10.364 41.681 16.266 1.00 23.66 H new ATOM 0 HG2 GLU A 46 -11.377 43.155 14.809 1.00 27.43 H new ATOM 0 HG3 GLU A 46 -12.793 42.639 15.210 1.00 27.43 H new ATOM 339 N LYS A 47 -11.686 38.038 15.124 1.00 20.12 N ATOM 340 CA LYS A 47 -11.453 36.695 15.642 1.00 19.51 C ATOM 341 C LYS A 47 -9.970 36.333 15.667 1.00 19.61 C ATOM 342 O LYS A 47 -9.514 35.606 16.545 1.00 20.07 O ATOM 343 CB LYS A 47 -12.215 35.670 14.801 1.00 18.47 C ATOM 344 CG LYS A 47 -11.768 35.595 13.360 1.00 18.18 C ATOM 345 CD LYS A 47 -12.720 34.730 12.552 1.00 20.06 C ATOM 346 CE LYS A 47 -12.506 34.897 11.053 1.00 20.62 C ATOM 347 NZ LYS A 47 -11.219 34.331 10.618 1.00 23.51 N ATOM 0 H LYS A 47 -12.248 38.074 14.474 1.00 20.12 H new ATOM 0 HA LYS A 47 -11.775 36.681 16.557 1.00 19.51 H new ATOM 0 HB2 LYS A 47 -12.114 34.795 15.206 1.00 18.47 H new ATOM 0 HB3 LYS A 47 -13.160 35.886 14.825 1.00 18.47 H new ATOM 0 HG2 LYS A 47 -11.731 36.487 12.980 1.00 18.18 H new ATOM 0 HG3 LYS A 47 -10.871 35.229 13.313 1.00 18.18 H new ATOM 0 HD2 LYS A 47 -12.595 33.799 12.794 1.00 20.06 H new ATOM 0 HD3 LYS A 47 -13.635 34.961 12.775 1.00 20.06 H new ATOM 0 HE2 LYS A 47 -13.229 34.463 10.573 1.00 20.62 H new ATOM 0 HE3 LYS A 47 -12.539 35.839 10.825 1.00 20.62 H new ATOM 0 HZ1 LYS A 47 -11.243 34.178 9.742 1.00 23.51 H new ATOM 0 HZ2 LYS A 47 -10.565 34.906 10.801 1.00 23.51 H new ATOM 0 HZ3 LYS A 47 -11.070 33.566 11.048 1.00 23.51 H new ATOM 348 N ASP A 48 -9.218 36.843 14.700 1.00 20.04 N ATOM 349 CA ASP A 48 -7.794 36.552 14.627 1.00 19.32 C ATOM 350 C ASP A 48 -7.048 37.034 15.874 1.00 20.02 C ATOM 351 O ASP A 48 -5.951 36.555 16.174 1.00 20.03 O ATOM 352 CB ASP A 48 -7.184 37.179 13.360 1.00 22.09 C ATOM 353 CG ASP A 48 -7.067 38.693 13.443 1.00 24.01 C ATOM 354 OD1 ASP A 48 -8.099 39.381 13.580 1.00 27.53 O ATOM 355 OD2 ASP A 48 -5.930 39.200 13.362 1.00 26.64 O ATOM 0 H ASP A 48 -9.512 37.359 14.078 1.00 20.04 H new ATOM 0 HA ASP A 48 -7.695 35.588 14.583 1.00 19.32 H new ATOM 0 HB2 ASP A 48 -6.304 36.800 13.209 1.00 22.09 H new ATOM 0 HB3 ASP A 48 -7.730 36.943 12.594 1.00 22.09 H new ATOM 356 N GLN A 49 -7.657 37.959 16.612 1.00 20.56 N ATOM 357 CA GLN A 49 -7.040 38.523 17.818 1.00 22.95 C ATOM 358 C GLN A 49 -7.469 37.903 19.147 1.00 22.88 C ATOM 359 O GLN A 49 -6.825 38.143 20.165 1.00 22.29 O ATOM 360 CB GLN A 49 -7.332 40.026 17.890 1.00 25.44 C ATOM 361 CG GLN A 49 -6.871 40.811 16.682 1.00 28.78 C ATOM 362 CD GLN A 49 -5.371 40.918 16.614 1.00 31.45 C ATOM 363 OE1 GLN A 49 -4.744 41.489 17.498 1.00 33.77 O ATOM 364 NE2 GLN A 49 -4.783 40.359 15.568 1.00 33.78 N ATOM 0 H GLN A 49 -8.435 38.278 16.432 1.00 20.56 H new ATOM 0 HA GLN A 49 -6.096 38.322 17.718 1.00 22.95 H new ATOM 0 HB2 GLN A 49 -8.287 40.154 18.000 1.00 25.44 H new ATOM 0 HB3 GLN A 49 -6.904 40.390 18.681 1.00 25.44 H new ATOM 0 HG2 GLN A 49 -7.200 40.384 15.876 1.00 28.78 H new ATOM 0 HG3 GLN A 49 -7.256 41.701 16.710 1.00 28.78 H new ATOM 0 HE21 GLN A 49 -5.257 39.967 14.967 1.00 33.78 H new ATOM 0 HE22 GLN A 49 -3.927 40.388 15.489 1.00 33.78 H new ATOM 365 N VAL A 50 -8.536 37.104 19.138 1.00 23.05 N ATOM 366 CA VAL A 50 -9.079 36.520 20.374 1.00 22.07 C ATOM 367 C VAL A 50 -8.334 35.394 21.098 1.00 22.01 C ATOM 368 O VAL A 50 -8.041 34.339 20.530 1.00 21.93 O ATOM 369 CB VAL A 50 -10.564 36.047 20.161 1.00 21.90 C ATOM 370 CG1 VAL A 50 -10.616 34.663 19.520 1.00 20.03 C ATOM 371 CG2 VAL A 50 -11.320 36.070 21.488 1.00 21.99 C ATOM 0 H VAL A 50 -8.964 36.885 18.425 1.00 23.05 H new ATOM 0 HA VAL A 50 -8.974 37.277 20.971 1.00 22.07 H new ATOM 0 HB VAL A 50 -10.997 36.664 19.551 1.00 21.90 H new ATOM 0 HG11 VAL A 50 -11.541 34.396 19.400 1.00 20.03 H new ATOM 0 HG12 VAL A 50 -10.173 34.689 18.657 1.00 20.03 H new ATOM 0 HG13 VAL A 50 -10.167 34.023 20.094 1.00 20.03 H new ATOM 0 HG21 VAL A 50 -12.234 35.777 21.345 1.00 21.99 H new ATOM 0 HG22 VAL A 50 -10.885 35.475 22.119 1.00 21.99 H new ATOM 0 HG23 VAL A 50 -11.322 36.972 21.844 1.00 21.99 H new ATOM 372 N THR A 51 -8.025 35.646 22.368 1.00 21.50 N ATOM 373 CA THR A 51 -7.390 34.662 23.230 1.00 21.20 C ATOM 374 C THR A 51 -8.080 34.730 24.590 1.00 23.25 C ATOM 375 O THR A 51 -7.866 35.653 25.387 1.00 24.79 O ATOM 376 CB THR A 51 -5.887 34.902 23.390 1.00 22.47 C ATOM 377 OG1 THR A 51 -5.238 34.671 22.132 1.00 23.17 O ATOM 378 CG2 THR A 51 -5.313 33.943 24.430 1.00 23.45 C ATOM 0 H THR A 51 -8.180 36.399 22.753 1.00 21.50 H new ATOM 0 HA THR A 51 -7.483 33.784 22.828 1.00 21.20 H new ATOM 0 HB THR A 51 -5.739 35.816 23.680 1.00 22.47 H new ATOM 0 HG1 THR A 51 -4.557 35.160 22.074 1.00 23.17 H new ATOM 0 HG21 THR A 51 -4.361 34.101 24.526 1.00 23.45 H new ATOM 0 HG22 THR A 51 -5.752 34.089 25.283 1.00 23.45 H new ATOM 0 HG23 THR A 51 -5.461 33.028 24.144 1.00 23.45 H new ATOM 379 N LEU A 52 -8.948 33.752 24.825 1.00 22.16 N ATOM 380 CA LEU A 52 -9.710 33.672 26.058 1.00 20.34 C ATOM 381 C LEU A 52 -8.992 32.854 27.112 1.00 20.27 C ATOM 382 O LEU A 52 -8.244 31.932 26.802 1.00 21.74 O ATOM 383 CB LEU A 52 -11.069 33.038 25.778 1.00 17.01 C ATOM 384 CG LEU A 52 -11.895 33.732 24.698 1.00 17.19 C ATOM 385 CD1 LEU A 52 -13.183 32.932 24.467 1.00 14.05 C ATOM 386 CD2 LEU A 52 -12.185 35.176 25.121 1.00 14.83 C ATOM 0 H LEU A 52 -9.110 33.115 24.270 1.00 22.16 H new ATOM 0 HA LEU A 52 -9.818 34.575 26.396 1.00 20.34 H new ATOM 0 HB2 LEU A 52 -10.932 32.114 25.517 1.00 17.01 H new ATOM 0 HB3 LEU A 52 -11.582 33.028 26.601 1.00 17.01 H new ATOM 0 HG LEU A 52 -11.405 33.766 23.862 1.00 17.19 H new ATOM 0 HD11 LEU A 52 -13.715 33.366 23.782 1.00 14.05 H new ATOM 0 HD12 LEU A 52 -12.959 32.033 24.181 1.00 14.05 H new ATOM 0 HD13 LEU A 52 -13.691 32.891 25.292 1.00 14.05 H new ATOM 0 HD21 LEU A 52 -12.710 35.616 24.434 1.00 14.83 H new ATOM 0 HD22 LEU A 52 -12.680 35.176 25.955 1.00 14.83 H new ATOM 0 HD23 LEU A 52 -11.349 35.652 25.242 1.00 14.83 H new ATOM 387 N ALA A 53 -9.234 33.199 28.366 1.00 21.15 N ATOM 388 CA ALA A 53 -8.646 32.483 29.482 1.00 21.84 C ATOM 389 C ALA A 53 -9.636 32.586 30.629 1.00 21.45 C ATOM 390 O ALA A 53 -10.543 33.420 30.591 1.00 20.95 O ATOM 391 CB ALA A 53 -7.315 33.111 29.870 1.00 23.43 C ATOM 0 H ALA A 53 -9.743 33.854 28.593 1.00 21.15 H new ATOM 0 HA ALA A 53 -8.472 31.557 29.253 1.00 21.84 H new ATOM 0 HB1 ALA A 53 -6.932 32.624 30.616 1.00 23.43 H new ATOM 0 HB2 ALA A 53 -6.707 33.074 29.115 1.00 23.43 H new ATOM 0 HB3 ALA A 53 -7.456 34.036 30.126 1.00 23.43 H new ATOM 392 N GLU A 54 -9.479 31.738 31.641 1.00 23.23 N ATOM 393 CA GLU A 54 -10.372 31.776 32.792 1.00 26.06 C ATOM 394 C GLU A 54 -10.362 33.175 33.411 1.00 26.72 C ATOM 395 O GLU A 54 -9.310 33.820 33.491 1.00 25.89 O ATOM 396 CB GLU A 54 -9.935 30.740 33.827 1.00 27.38 C ATOM 397 CG GLU A 54 -9.837 29.330 33.264 1.00 31.06 C ATOM 398 CD GLU A 54 -9.451 28.324 34.319 1.00 33.30 C ATOM 399 OE1 GLU A 54 -9.284 27.131 33.987 1.00 34.12 O ATOM 400 OE2 GLU A 54 -9.314 28.735 35.490 1.00 36.14 O ATOM 0 H GLU A 54 -8.865 31.137 31.680 1.00 23.23 H new ATOM 0 HA GLU A 54 -11.273 31.566 32.501 1.00 26.06 H new ATOM 0 HB2 GLU A 54 -9.073 30.998 34.189 1.00 27.38 H new ATOM 0 HB3 GLU A 54 -10.565 30.744 34.565 1.00 27.38 H new ATOM 0 HG2 GLU A 54 -10.689 29.078 32.875 1.00 31.06 H new ATOM 0 HG3 GLU A 54 -9.183 29.314 32.548 1.00 31.06 H new ATOM 401 N GLY A 55 -11.530 33.648 33.835 1.00 26.20 N ATOM 402 CA GLY A 55 -11.604 34.971 34.420 1.00 26.63 C ATOM 403 C GLY A 55 -12.123 35.971 33.409 1.00 28.14 C ATOM 404 O GLY A 55 -12.737 36.973 33.777 1.00 29.68 O ATOM 0 H GLY A 55 -12.277 33.224 33.792 1.00 26.20 H new ATOM 0 HA2 GLY A 55 -12.186 34.955 35.195 1.00 26.63 H new ATOM 0 HA3 GLY A 55 -10.726 35.243 34.730 1.00 26.63 H new ATOM 405 N ASP A 56 -11.863 35.721 32.127 1.00 26.51 N ATOM 406 CA ASP A 56 -12.360 36.613 31.092 1.00 26.39 C ATOM 407 C ASP A 56 -13.882 36.467 31.040 1.00 27.14 C ATOM 408 O ASP A 56 -14.456 35.549 31.641 1.00 25.00 O ATOM 409 CB ASP A 56 -11.747 36.280 29.731 1.00 25.59 C ATOM 410 CG ASP A 56 -10.267 36.594 29.673 1.00 27.24 C ATOM 411 OD1 ASP A 56 -9.845 37.563 30.350 1.00 27.22 O ATOM 412 OD2 ASP A 56 -9.525 35.879 28.958 1.00 25.90 O ATOM 0 H ASP A 56 -11.407 35.050 31.842 1.00 26.51 H new ATOM 0 HA ASP A 56 -12.111 37.527 31.301 1.00 26.39 H new ATOM 0 HB2 ASP A 56 -11.883 35.339 29.539 1.00 25.59 H new ATOM 0 HB3 ASP A 56 -12.209 36.780 29.040 1.00 25.59 H new ATOM 413 N HIS A 57 -14.536 37.372 30.321 1.00 28.93 N ATOM 414 CA HIS A 57 -15.990 37.352 30.228 1.00 29.31 C ATOM 415 C HIS A 57 -16.503 37.322 28.804 1.00 28.75 C ATOM 416 O HIS A 57 -15.773 37.561 27.844 1.00 27.99 O ATOM 417 CB HIS A 57 -16.564 38.593 30.913 1.00 32.08 C ATOM 418 CG HIS A 57 -16.160 38.725 32.342 1.00 35.81 C ATOM 419 ND1 HIS A 57 -17.012 38.432 33.386 1.00 38.42 N ATOM 420 CD2 HIS A 57 -14.974 39.053 32.908 1.00 35.71 C ATOM 421 CE1 HIS A 57 -16.368 38.571 34.528 1.00 38.99 C ATOM 422 NE2 HIS A 57 -15.129 38.946 34.266 1.00 38.16 N ATOM 0 H HIS A 57 -14.157 38.005 29.880 1.00 28.93 H new ATOM 0 HA HIS A 57 -16.278 36.534 30.663 1.00 29.31 H new ATOM 0 HB2 HIS A 57 -16.276 39.383 30.429 1.00 32.08 H new ATOM 0 HB3 HIS A 57 -17.532 38.564 30.859 1.00 32.08 H new ATOM 0 HD1 HIS A 57 -17.835 38.196 33.305 1.00 38.42 H new ATOM 0 HD2 HIS A 57 -14.199 39.304 32.459 1.00 35.71 H new ATOM 0 HE1 HIS A 57 -16.726 38.429 35.375 1.00 38.99 H new ATOM 423 N LEU A 58 -17.783 37.013 28.690 1.00 26.55 N ATOM 424 CA LEU A 58 -18.466 37.007 27.415 1.00 27.03 C ATOM 425 C LEU A 58 -19.769 37.674 27.731 1.00 27.38 C ATOM 426 O LEU A 58 -20.499 37.193 28.589 1.00 28.29 O ATOM 427 CB LEU A 58 -18.784 35.596 26.930 1.00 25.49 C ATOM 428 CG LEU A 58 -17.711 34.806 26.206 1.00 24.16 C ATOM 429 CD1 LEU A 58 -18.324 33.546 25.629 1.00 25.35 C ATOM 430 CD2 LEU A 58 -17.154 35.660 25.101 1.00 26.13 C ATOM 0 H LEU A 58 -18.282 36.799 29.357 1.00 26.55 H new ATOM 0 HA LEU A 58 -17.928 37.429 26.727 1.00 27.03 H new ATOM 0 HB2 LEU A 58 -19.059 35.077 27.702 1.00 25.49 H new ATOM 0 HB3 LEU A 58 -19.552 35.656 26.340 1.00 25.49 H new ATOM 0 HG LEU A 58 -17.000 34.559 26.818 1.00 24.16 H new ATOM 0 HD11 LEU A 58 -17.641 33.037 25.165 1.00 25.35 H new ATOM 0 HD12 LEU A 58 -18.695 33.009 26.346 1.00 25.35 H new ATOM 0 HD13 LEU A 58 -19.028 33.784 25.006 1.00 25.35 H new ATOM 0 HD21 LEU A 58 -16.465 35.168 24.627 1.00 26.13 H new ATOM 0 HD22 LEU A 58 -17.865 35.895 24.484 1.00 26.13 H new ATOM 0 HD23 LEU A 58 -16.772 36.468 25.478 1.00 26.13 H new ATOM 431 N LYS A 59 -20.057 38.795 27.084 1.00 26.30 N ATOM 432 CA LYS A 59 -21.339 39.423 27.313 1.00 26.38 C ATOM 433 C LYS A 59 -22.170 39.059 26.095 1.00 25.50 C ATOM 434 O LYS A 59 -21.901 39.519 24.985 1.00 25.38 O ATOM 435 CB LYS A 59 -21.220 40.936 27.452 1.00 29.08 C ATOM 436 CG LYS A 59 -22.546 41.576 27.815 1.00 30.88 C ATOM 437 CD LYS A 59 -22.371 42.990 28.310 1.00 33.84 C ATOM 438 CE LYS A 59 -23.721 43.626 28.530 1.00 36.76 C ATOM 439 NZ LYS A 59 -24.526 42.799 29.461 1.00 37.19 N ATOM 0 H LYS A 59 -19.539 39.195 26.526 1.00 26.30 H new ATOM 0 HA LYS A 59 -21.738 39.119 28.143 1.00 26.38 H new ATOM 0 HB2 LYS A 59 -20.562 41.147 28.133 1.00 29.08 H new ATOM 0 HB3 LYS A 59 -20.897 41.313 26.619 1.00 29.08 H new ATOM 0 HG2 LYS A 59 -23.128 41.575 27.039 1.00 30.88 H new ATOM 0 HG3 LYS A 59 -22.984 41.046 28.499 1.00 30.88 H new ATOM 0 HD2 LYS A 59 -21.865 42.991 29.138 1.00 33.84 H new ATOM 0 HD3 LYS A 59 -21.862 43.506 27.666 1.00 33.84 H new ATOM 0 HE2 LYS A 59 -23.611 44.519 28.892 1.00 36.76 H new ATOM 0 HE3 LYS A 59 -24.185 43.718 27.683 1.00 36.76 H new ATOM 0 HZ1 LYS A 59 -25.194 43.287 29.790 1.00 37.19 H new ATOM 0 HZ2 LYS A 59 -24.858 42.098 29.025 1.00 37.19 H new ATOM 0 HZ3 LYS A 59 -24.010 42.515 30.128 1.00 37.19 H new ATOM 440 N ILE A 60 -23.163 38.205 26.315 1.00 24.36 N ATOM 441 CA ILE A 60 -24.045 37.724 25.263 1.00 23.19 C ATOM 442 C ILE A 60 -25.407 38.399 25.422 1.00 25.37 C ATOM 443 O ILE A 60 -26.167 38.089 26.343 1.00 22.91 O ATOM 444 CB ILE A 60 -24.216 36.196 25.365 1.00 22.67 C ATOM 445 CG1 ILE A 60 -22.840 35.524 25.433 1.00 21.81 C ATOM 446 CG2 ILE A 60 -25.001 35.684 24.178 1.00 21.04 C ATOM 447 CD1 ILE A 60 -22.889 34.018 25.524 1.00 20.57 C ATOM 0 H ILE A 60 -23.345 37.885 27.092 1.00 24.36 H new ATOM 0 HA ILE A 60 -23.662 37.936 24.398 1.00 23.19 H new ATOM 0 HB ILE A 60 -24.707 35.981 26.174 1.00 22.67 H new ATOM 0 HG12 ILE A 60 -22.330 35.774 24.646 1.00 21.81 H new ATOM 0 HG13 ILE A 60 -22.361 35.869 26.203 1.00 21.81 H new ATOM 0 HG21 ILE A 60 -25.105 34.722 24.249 1.00 21.04 H new ATOM 0 HG22 ILE A 60 -25.876 36.103 24.163 1.00 21.04 H new ATOM 0 HG23 ILE A 60 -24.527 35.898 23.359 1.00 21.04 H new ATOM 0 HD11 ILE A 60 -21.986 33.666 25.563 1.00 20.57 H new ATOM 0 HD12 ILE A 60 -23.372 33.757 26.324 1.00 20.57 H new ATOM 0 HD13 ILE A 60 -23.341 33.661 24.743 1.00 20.57 H new ATOM 448 N GLY A 61 -25.718 39.324 24.525 1.00 27.56 N ATOM 449 CA GLY A 61 -26.985 40.012 24.632 1.00 30.83 C ATOM 450 C GLY A 61 -27.065 40.692 25.987 1.00 33.99 C ATOM 451 O GLY A 61 -26.113 41.354 26.412 1.00 32.88 O ATOM 0 H GLY A 61 -25.221 39.561 23.864 1.00 27.56 H new ATOM 0 HA2 GLY A 61 -27.071 40.668 23.922 1.00 30.83 H new ATOM 0 HA3 GLY A 61 -27.717 39.384 24.528 1.00 30.83 H new ATOM 452 N ASP A 62 -28.183 40.509 26.680 1.00 37.70 N ATOM 453 CA ASP A 62 -28.385 41.131 27.984 1.00 41.33 C ATOM 454 C ASP A 62 -27.846 40.331 29.171 1.00 40.37 C ATOM 455 O ASP A 62 -28.328 40.497 30.292 1.00 42.80 O ATOM 456 CB ASP A 62 -29.882 41.415 28.197 1.00 44.59 C ATOM 457 CG ASP A 62 -30.742 40.154 28.129 1.00 48.01 C ATOM 458 OD1 ASP A 62 -31.980 40.274 28.244 1.00 47.96 O ATOM 459 OD2 ASP A 62 -30.185 39.046 27.960 1.00 48.95 O ATOM 0 H ASP A 62 -28.841 40.025 26.411 1.00 37.70 H new ATOM 0 HA ASP A 62 -27.868 41.951 27.962 1.00 41.33 H new ATOM 0 HB2 ASP A 62 -30.006 41.840 29.060 1.00 44.59 H new ATOM 0 HB3 ASP A 62 -30.186 42.045 27.525 1.00 44.59 H new ATOM 460 N THR A 63 -26.843 39.484 28.944 1.00 37.27 N ATOM 461 CA THR A 63 -26.294 38.675 30.034 1.00 33.48 C ATOM 462 C THR A 63 -24.771 38.527 29.993 1.00 31.94 C ATOM 463 O THR A 63 -24.208 38.109 28.988 1.00 29.56 O ATOM 464 CB THR A 63 -26.921 37.251 30.040 1.00 33.85 C ATOM 465 OG1 THR A 63 -28.338 37.347 29.857 1.00 32.56 O ATOM 466 CG2 THR A 63 -26.641 36.544 31.362 1.00 31.16 C ATOM 0 H THR A 63 -26.470 39.363 28.178 1.00 37.27 H new ATOM 0 HA THR A 63 -26.523 39.159 30.843 1.00 33.48 H new ATOM 0 HB THR A 63 -26.525 36.741 29.317 1.00 33.85 H new ATOM 0 HG1 THR A 63 -28.692 36.601 30.012 1.00 32.56 H new ATOM 0 HG21 THR A 63 -27.039 35.660 31.347 1.00 31.16 H new ATOM 0 HG22 THR A 63 -25.683 36.465 31.490 1.00 31.16 H new ATOM 0 HG23 THR A 63 -27.023 37.057 32.091 1.00 31.16 H new ATOM 467 N ASN A 64 -24.114 38.853 31.102 1.00 31.13 N ATOM 468 CA ASN A 64 -22.663 38.751 31.192 1.00 30.72 C ATOM 469 C ASN A 64 -22.239 37.430 31.844 1.00 29.70 C ATOM 470 O ASN A 64 -22.754 37.051 32.896 1.00 31.72 O ATOM 471 CB ASN A 64 -22.106 39.935 31.985 1.00 31.54 C ATOM 472 CG ASN A 64 -20.607 40.070 31.848 1.00 32.69 C ATOM 473 OD1 ASN A 64 -19.846 39.456 32.591 1.00 34.15 O ATOM 474 ND2 ASN A 64 -20.173 40.866 30.877 1.00 34.63 N ATOM 0 H ASN A 64 -24.495 39.138 31.819 1.00 31.13 H new ATOM 0 HA ASN A 64 -22.301 38.769 30.292 1.00 30.72 H new ATOM 0 HB2 ASN A 64 -22.530 40.752 31.681 1.00 31.54 H new ATOM 0 HB3 ASN A 64 -22.334 39.829 32.922 1.00 31.54 H new ATOM 0 HD21 ASN A 64 -19.329 40.967 30.749 1.00 34.63 H new ATOM 0 HD22 ASN A 64 -20.736 41.280 30.376 1.00 34.63 H new ATOM 475 N TYR A 65 -21.299 36.733 31.210 1.00 26.53 N ATOM 476 CA TYR A 65 -20.810 35.447 31.713 1.00 24.60 C ATOM 477 C TYR A 65 -19.309 35.471 31.969 1.00 23.01 C ATOM 478 O TYR A 65 -18.562 36.120 31.244 1.00 22.07 O ATOM 479 CB TYR A 65 -21.090 34.335 30.693 1.00 23.34 C ATOM 480 CG TYR A 65 -22.548 34.125 30.351 1.00 20.16 C ATOM 481 CD1 TYR A 65 -23.295 33.126 30.978 1.00 21.05 C ATOM 482 CD2 TYR A 65 -23.179 34.920 29.390 1.00 21.24 C ATOM 483 CE1 TYR A 65 -24.642 32.918 30.656 1.00 20.89 C ATOM 484 CE2 TYR A 65 -24.525 34.726 29.059 1.00 20.96 C ATOM 485 CZ TYR A 65 -25.247 33.720 29.695 1.00 21.12 C ATOM 486 OH TYR A 65 -26.563 33.501 29.353 1.00 22.21 O ATOM 0 H TYR A 65 -20.927 36.990 30.478 1.00 26.53 H new ATOM 0 HA TYR A 65 -21.276 35.279 32.547 1.00 24.60 H new ATOM 0 HB2 TYR A 65 -20.607 34.536 29.876 1.00 23.34 H new ATOM 0 HB3 TYR A 65 -20.730 33.502 31.037 1.00 23.34 H new ATOM 0 HD1 TYR A 65 -22.891 32.589 31.621 1.00 21.05 H new ATOM 0 HD2 TYR A 65 -22.696 35.590 28.963 1.00 21.24 H new ATOM 0 HE1 TYR A 65 -25.128 32.249 31.082 1.00 20.89 H new ATOM 0 HE2 TYR A 65 -24.933 35.264 28.420 1.00 20.96 H new ATOM 0 HH TYR A 65 -26.786 32.724 29.581 1.00 22.21 H new ATOM 487 N THR A 66 -18.875 34.752 32.997 1.00 20.75 N ATOM 488 CA THR A 66 -17.454 34.652 33.300 1.00 21.54 C ATOM 489 C THR A 66 -17.002 33.280 32.769 1.00 22.19 C ATOM 490 O THR A 66 -17.739 32.287 32.881 1.00 22.16 O ATOM 491 CB THR A 66 -17.176 34.721 34.830 1.00 22.83 C ATOM 492 OG1 THR A 66 -17.731 35.927 35.373 1.00 23.55 O ATOM 493 CG2 THR A 66 -15.684 34.710 35.099 1.00 21.20 C ATOM 0 H THR A 66 -19.387 34.314 33.531 1.00 20.75 H new ATOM 0 HA THR A 66 -16.976 35.391 32.892 1.00 21.54 H new ATOM 0 HB THR A 66 -17.586 33.948 35.248 1.00 22.83 H new ATOM 0 HG1 THR A 66 -17.579 35.959 36.199 1.00 23.55 H new ATOM 0 HG21 THR A 66 -15.527 34.753 36.055 1.00 21.20 H new ATOM 0 HG22 THR A 66 -15.297 33.894 34.745 1.00 21.20 H new ATOM 0 HG23 THR A 66 -15.272 35.476 34.669 1.00 21.20 H new ATOM 494 N ILE A 67 -15.811 33.234 32.175 1.00 21.35 N ATOM 495 CA ILE A 67 -15.257 31.993 31.636 1.00 20.93 C ATOM 496 C ILE A 67 -14.605 31.189 32.771 1.00 22.26 C ATOM 497 O ILE A 67 -13.698 31.681 33.446 1.00 20.85 O ATOM 498 CB ILE A 67 -14.197 32.296 30.546 1.00 18.97 C ATOM 499 CG1 ILE A 67 -14.834 33.078 29.399 1.00 19.23 C ATOM 500 CG2 ILE A 67 -13.602 31.009 30.025 1.00 15.84 C ATOM 501 CD1 ILE A 67 -13.837 33.539 28.353 1.00 19.58 C ATOM 0 H ILE A 67 -15.302 33.920 32.073 1.00 21.35 H new ATOM 0 HA ILE A 67 -15.976 31.479 31.237 1.00 20.93 H new ATOM 0 HB ILE A 67 -13.490 32.832 30.939 1.00 18.97 H new ATOM 0 HG12 ILE A 67 -15.506 32.523 28.973 1.00 19.23 H new ATOM 0 HG13 ILE A 67 -15.293 33.852 29.761 1.00 19.23 H new ATOM 0 HG21 ILE A 67 -12.941 31.210 29.344 1.00 15.84 H new ATOM 0 HG22 ILE A 67 -13.179 30.529 30.754 1.00 15.84 H new ATOM 0 HG23 ILE A 67 -14.304 30.460 29.641 1.00 15.84 H new ATOM 0 HD11 ILE A 67 -14.302 34.027 27.655 1.00 19.58 H new ATOM 0 HD12 ILE A 67 -13.177 34.117 28.767 1.00 19.58 H new ATOM 0 HD13 ILE A 67 -13.393 32.768 27.967 1.00 19.58 H new ATOM 502 N THR A 68 -15.071 29.958 32.979 1.00 21.00 N ATOM 503 CA THR A 68 -14.540 29.104 34.047 1.00 22.11 C ATOM 504 C THR A 68 -13.568 28.028 33.545 1.00 21.62 C ATOM 505 O THR A 68 -12.905 27.352 34.336 1.00 21.75 O ATOM 506 CB THR A 68 -15.688 28.390 34.824 1.00 21.82 C ATOM 507 OG1 THR A 68 -16.362 27.475 33.950 1.00 22.18 O ATOM 508 CG2 THR A 68 -16.693 29.408 35.354 1.00 19.06 C ATOM 0 H THR A 68 -15.696 29.596 32.512 1.00 21.00 H new ATOM 0 HA THR A 68 -14.054 29.708 34.630 1.00 22.11 H new ATOM 0 HB THR A 68 -15.301 27.910 35.573 1.00 21.82 H new ATOM 0 HG1 THR A 68 -16.306 26.697 34.262 1.00 22.18 H new ATOM 0 HG21 THR A 68 -17.399 28.947 35.834 1.00 19.06 H new ATOM 0 HG22 THR A 68 -16.244 30.024 35.954 1.00 19.06 H new ATOM 0 HG23 THR A 68 -17.076 29.901 34.612 1.00 19.06 H new ATOM 509 N LYS A 69 -13.487 27.867 32.232 1.00 19.73 N ATOM 510 CA LYS A 69 -12.599 26.872 31.643 1.00 18.76 C ATOM 511 C LYS A 69 -12.584 27.024 30.117 1.00 18.52 C ATOM 512 O LYS A 69 -13.619 27.230 29.495 1.00 18.81 O ATOM 513 CB LYS A 69 -13.071 25.465 32.020 1.00 19.08 C ATOM 514 CG LYS A 69 -12.190 24.348 31.506 1.00 18.09 C ATOM 515 CD LYS A 69 -10.846 24.385 32.206 1.00 23.52 C ATOM 516 CE LYS A 69 -9.908 23.325 31.671 1.00 25.16 C ATOM 517 NZ LYS A 69 -8.599 23.367 32.395 1.00 23.97 N ATOM 0 H LYS A 69 -13.939 28.325 31.661 1.00 19.73 H new ATOM 0 HA LYS A 69 -11.701 27.008 31.984 1.00 18.76 H new ATOM 0 HB2 LYS A 69 -13.123 25.402 32.987 1.00 19.08 H new ATOM 0 HB3 LYS A 69 -13.970 25.336 31.679 1.00 19.08 H new ATOM 0 HG2 LYS A 69 -12.619 23.491 31.658 1.00 18.09 H new ATOM 0 HG3 LYS A 69 -12.067 24.438 30.548 1.00 18.09 H new ATOM 0 HD2 LYS A 69 -10.445 25.261 32.091 1.00 23.52 H new ATOM 0 HD3 LYS A 69 -10.973 24.254 33.159 1.00 23.52 H new ATOM 0 HE2 LYS A 69 -10.311 22.448 31.772 1.00 25.16 H new ATOM 0 HE3 LYS A 69 -9.763 23.463 30.722 1.00 25.16 H new ATOM 0 HZ1 LYS A 69 -8.314 22.537 32.542 1.00 23.97 H new ATOM 0 HZ2 LYS A 69 -8.000 23.802 31.901 1.00 23.97 H new ATOM 0 HZ3 LYS A 69 -8.703 23.787 33.173 1.00 23.97 H new ATOM 518 N VAL A 70 -11.403 26.924 29.521 1.00 16.82 N ATOM 519 CA VAL A 70 -11.265 27.042 28.078 1.00 16.46 C ATOM 520 C VAL A 70 -10.541 25.799 27.555 1.00 17.34 C ATOM 521 O VAL A 70 -9.462 25.458 28.044 1.00 18.39 O ATOM 522 CB VAL A 70 -10.453 28.311 27.706 1.00 15.57 C ATOM 523 CG1 VAL A 70 -10.219 28.368 26.211 1.00 18.62 C ATOM 524 CG2 VAL A 70 -11.207 29.561 28.146 1.00 16.25 C ATOM 0 H VAL A 70 -10.664 26.787 29.939 1.00 16.82 H new ATOM 0 HA VAL A 70 -12.145 27.116 27.677 1.00 16.46 H new ATOM 0 HB VAL A 70 -9.597 28.272 28.161 1.00 15.57 H new ATOM 0 HG11 VAL A 70 -9.711 29.165 25.993 1.00 18.62 H new ATOM 0 HG12 VAL A 70 -9.724 27.583 25.931 1.00 18.62 H new ATOM 0 HG13 VAL A 70 -11.072 28.393 25.750 1.00 18.62 H new ATOM 0 HG21 VAL A 70 -10.693 30.349 27.910 1.00 16.25 H new ATOM 0 HG22 VAL A 70 -12.069 29.592 27.702 1.00 16.25 H new ATOM 0 HG23 VAL A 70 -11.340 29.538 29.107 1.00 16.25 H new ATOM 525 N GLY A 71 -11.145 25.113 26.582 1.00 15.77 N ATOM 526 CA GLY A 71 -10.515 23.932 26.000 1.00 16.71 C ATOM 527 C GLY A 71 -9.228 24.321 25.276 1.00 17.02 C ATOM 528 O GLY A 71 -9.091 25.454 24.813 1.00 16.31 O ATOM 0 H GLY A 71 -11.912 25.314 26.249 1.00 15.77 H new ATOM 0 HA2 GLY A 71 -10.319 23.286 26.696 1.00 16.71 H new ATOM 0 HA3 GLY A 71 -11.126 23.504 25.380 1.00 16.71 H new ATOM 529 N SER A 72 -8.286 23.388 25.160 1.00 17.14 N ATOM 530 CA SER A 72 -7.004 23.690 24.529 1.00 18.72 C ATOM 531 C SER A 72 -7.053 24.107 23.063 1.00 19.12 C ATOM 532 O SER A 72 -6.054 24.589 22.521 1.00 19.84 O ATOM 533 CB SER A 72 -6.047 22.513 24.717 1.00 20.73 C ATOM 534 OG SER A 72 -6.732 21.274 24.645 1.00 24.99 O ATOM 0 H SER A 72 -8.368 22.579 25.438 1.00 17.14 H new ATOM 0 HA SER A 72 -6.684 24.483 24.987 1.00 18.72 H new ATOM 0 HB2 SER A 72 -5.357 22.543 24.036 1.00 20.73 H new ATOM 0 HB3 SER A 72 -5.602 22.589 25.576 1.00 20.73 H new ATOM 0 HG SER A 72 -6.914 21.100 23.844 1.00 24.99 H new ATOM 535 N PHE A 73 -8.217 23.950 22.431 1.00 18.28 N ATOM 536 CA PHE A 73 -8.399 24.315 21.021 1.00 17.41 C ATOM 537 C PHE A 73 -9.489 25.359 20.787 1.00 16.04 C ATOM 538 O PHE A 73 -9.831 25.647 19.655 1.00 15.60 O ATOM 539 CB PHE A 73 -8.717 23.065 20.187 1.00 18.22 C ATOM 540 CG PHE A 73 -7.529 22.177 19.961 1.00 20.10 C ATOM 541 CD1 PHE A 73 -6.776 22.275 18.791 1.00 23.45 C ATOM 542 CD2 PHE A 73 -7.128 21.277 20.936 1.00 19.41 C ATOM 543 CE1 PHE A 73 -5.637 21.485 18.605 1.00 22.51 C ATOM 544 CE2 PHE A 73 -5.995 20.490 20.756 1.00 21.55 C ATOM 545 CZ PHE A 73 -5.250 20.595 19.591 1.00 22.35 C ATOM 0 H PHE A 73 -8.922 23.630 22.805 1.00 18.28 H new ATOM 0 HA PHE A 73 -7.560 24.714 20.743 1.00 17.41 H new ATOM 0 HB2 PHE A 73 -9.412 22.556 20.633 1.00 18.22 H new ATOM 0 HB3 PHE A 73 -9.074 23.340 19.328 1.00 18.22 H new ATOM 0 HD1 PHE A 73 -7.034 22.873 18.127 1.00 23.45 H new ATOM 0 HD2 PHE A 73 -7.622 21.198 21.720 1.00 19.41 H new ATOM 0 HE1 PHE A 73 -5.142 21.558 17.821 1.00 22.51 H new ATOM 0 HE2 PHE A 73 -5.736 19.891 21.419 1.00 21.55 H new ATOM 0 HZ PHE A 73 -4.492 20.069 19.473 1.00 22.35 H new ATOM 546 N ALA A 74 -10.037 25.925 21.852 1.00 15.14 N ATOM 547 CA ALA A 74 -11.086 26.924 21.703 1.00 15.98 C ATOM 548 C ALA A 74 -10.570 28.179 21.001 1.00 16.49 C ATOM 549 O ALA A 74 -11.195 28.689 20.084 1.00 16.00 O ATOM 550 CB ALA A 74 -11.652 27.292 23.071 1.00 15.70 C ATOM 0 H ALA A 74 -9.819 25.747 22.665 1.00 15.14 H new ATOM 0 HA ALA A 74 -11.787 26.540 21.153 1.00 15.98 H new ATOM 0 HB1 ALA A 74 -12.350 27.957 22.964 1.00 15.70 H new ATOM 0 HB2 ALA A 74 -12.022 26.500 23.492 1.00 15.70 H new ATOM 0 HB3 ALA A 74 -10.944 27.653 23.628 1.00 15.70 H new ATOM 551 N ASN A 75 -9.422 28.677 21.440 1.00 18.39 N ATOM 552 CA ASN A 75 -8.857 29.880 20.855 1.00 18.64 C ATOM 553 C ASN A 75 -8.499 29.701 19.377 1.00 17.91 C ATOM 554 O ASN A 75 -8.793 30.575 18.564 1.00 19.73 O ATOM 555 CB ASN A 75 -7.645 30.334 21.681 1.00 19.43 C ATOM 556 CG ASN A 75 -8.044 30.910 23.036 1.00 17.74 C ATOM 557 OD1 ASN A 75 -7.364 30.701 24.041 1.00 21.92 O ATOM 558 ND2 ASN A 75 -9.141 31.647 23.064 1.00 14.53 N ATOM 0 H ASN A 75 -8.956 28.333 22.075 1.00 18.39 H new ATOM 0 HA ASN A 75 -9.534 30.574 20.881 1.00 18.64 H new ATOM 0 HB2 ASN A 75 -7.049 29.581 21.816 1.00 19.43 H new ATOM 0 HB3 ASN A 75 -7.149 31.002 21.182 1.00 19.43 H new ATOM 0 HD21 ASN A 75 -9.403 32.000 23.803 1.00 14.53 H new ATOM 0 HD22 ASN A 75 -9.593 31.773 22.343 1.00 14.53 H new ATOM 559 N SER A 76 -7.900 28.572 19.007 1.00 17.75 N ATOM 560 CA SER A 76 -7.553 28.371 17.595 1.00 18.10 C ATOM 561 C SER A 76 -8.798 28.152 16.728 1.00 19.20 C ATOM 562 O SER A 76 -8.833 28.537 15.551 1.00 16.62 O ATOM 563 CB SER A 76 -6.591 27.196 17.430 1.00 19.68 C ATOM 564 OG SER A 76 -7.182 25.986 17.847 1.00 24.57 O ATOM 0 H SER A 76 -7.690 27.927 19.536 1.00 17.75 H new ATOM 0 HA SER A 76 -7.115 29.182 17.293 1.00 18.10 H new ATOM 0 HB2 SER A 76 -6.322 27.124 16.501 1.00 19.68 H new ATOM 0 HB3 SER A 76 -5.786 27.360 17.946 1.00 19.68 H new ATOM 0 HG SER A 76 -6.635 25.357 17.745 1.00 24.57 H new ATOM 565 N ASN A 77 -9.821 27.525 17.298 1.00 17.55 N ATOM 566 CA ASN A 77 -11.055 27.309 16.551 1.00 15.13 C ATOM 567 C ASN A 77 -11.765 28.653 16.384 1.00 14.98 C ATOM 568 O ASN A 77 -12.419 28.893 15.362 1.00 15.18 O ATOM 569 CB ASN A 77 -11.961 26.310 17.273 1.00 15.28 C ATOM 570 CG ASN A 77 -11.750 24.880 16.795 1.00 16.41 C ATOM 571 OD1 ASN A 77 -12.212 24.498 15.719 1.00 19.11 O ATOM 572 ND2 ASN A 77 -11.039 24.085 17.588 1.00 19.15 N ATOM 0 H ASN A 77 -9.823 27.221 18.103 1.00 17.55 H new ATOM 0 HA ASN A 77 -10.845 26.937 15.680 1.00 15.13 H new ATOM 0 HB2 ASN A 77 -11.793 26.357 18.227 1.00 15.28 H new ATOM 0 HB3 ASN A 77 -12.888 26.560 17.135 1.00 15.28 H new ATOM 0 HD21 ASN A 77 -10.887 23.271 17.356 1.00 19.15 H new ATOM 0 HD22 ASN A 77 -10.731 24.385 18.333 1.00 19.15 H new ATOM 573 N LEU A 78 -11.637 29.533 17.376 1.00 11.14 N ATOM 574 CA LEU A 78 -12.269 30.841 17.266 1.00 13.57 C ATOM 575 C LEU A 78 -11.520 31.681 16.249 1.00 14.80 C ATOM 576 O LEU A 78 -12.125 32.278 15.358 1.00 13.54 O ATOM 577 CB LEU A 78 -12.278 31.574 18.603 1.00 12.40 C ATOM 578 CG LEU A 78 -13.420 31.240 19.555 1.00 12.02 C ATOM 579 CD1 LEU A 78 -13.197 32.006 20.847 1.00 13.49 C ATOM 580 CD2 LEU A 78 -14.770 31.613 18.936 1.00 10.08 C ATOM 0 H LEU A 78 -11.199 29.396 18.103 1.00 11.14 H new ATOM 0 HA LEU A 78 -13.187 30.705 16.985 1.00 13.57 H new ATOM 0 HB2 LEU A 78 -11.441 31.388 19.056 1.00 12.40 H new ATOM 0 HB3 LEU A 78 -12.299 32.528 18.426 1.00 12.40 H new ATOM 0 HG LEU A 78 -13.434 30.286 19.731 1.00 12.02 H new ATOM 0 HD11 LEU A 78 -13.914 31.808 21.469 1.00 13.49 H new ATOM 0 HD12 LEU A 78 -12.349 31.743 21.237 1.00 13.49 H new ATOM 0 HD13 LEU A 78 -13.185 32.958 20.661 1.00 13.49 H new ATOM 0 HD21 LEU A 78 -15.482 31.393 19.556 1.00 10.08 H new ATOM 0 HD22 LEU A 78 -14.788 32.564 18.748 1.00 10.08 H new ATOM 0 HD23 LEU A 78 -14.896 31.118 18.111 1.00 10.08 H new ATOM 581 N GLN A 79 -10.198 31.718 16.387 1.00 15.32 N ATOM 582 CA GLN A 79 -9.352 32.490 15.482 1.00 16.35 C ATOM 583 C GLN A 79 -9.463 32.093 14.017 1.00 16.31 C ATOM 584 O GLN A 79 -9.343 32.940 13.136 1.00 17.73 O ATOM 585 CB GLN A 79 -7.886 32.385 15.916 1.00 17.36 C ATOM 586 CG GLN A 79 -7.533 33.222 17.130 1.00 18.31 C ATOM 587 CD GLN A 79 -6.098 33.009 17.564 1.00 20.86 C ATOM 588 OE1 GLN A 79 -5.235 32.713 16.739 1.00 22.71 O ATOM 589 NE2 GLN A 79 -5.830 33.171 18.858 1.00 20.65 N ATOM 0 H GLN A 79 -9.768 31.299 17.003 1.00 15.32 H new ATOM 0 HA GLN A 79 -9.675 33.402 15.545 1.00 16.35 H new ATOM 0 HB2 GLN A 79 -7.682 31.456 16.106 1.00 17.36 H new ATOM 0 HB3 GLN A 79 -7.320 32.654 15.175 1.00 17.36 H new ATOM 0 HG2 GLN A 79 -7.674 34.160 16.928 1.00 18.31 H new ATOM 0 HG3 GLN A 79 -8.129 32.997 17.862 1.00 18.31 H new ATOM 0 HE21 GLN A 79 -6.460 33.378 19.405 1.00 20.65 H new ATOM 0 HE22 GLN A 79 -5.026 33.069 19.147 1.00 20.65 H new ATOM 590 N SER A 80 -9.698 30.812 13.754 1.00 16.34 N ATOM 591 CA SER A 80 -9.791 30.317 12.381 1.00 17.74 C ATOM 592 C SER A 80 -11.174 30.341 11.714 1.00 17.71 C ATOM 593 O SER A 80 -11.321 30.816 10.594 1.00 16.25 O ATOM 594 CB SER A 80 -9.246 28.890 12.310 1.00 20.42 C ATOM 595 OG SER A 80 -9.496 28.348 11.022 1.00 23.84 O ATOM 0 H SER A 80 -9.807 30.209 14.358 1.00 16.34 H new ATOM 0 HA SER A 80 -9.262 30.955 11.877 1.00 17.74 H new ATOM 0 HB2 SER A 80 -8.293 28.888 12.492 1.00 20.42 H new ATOM 0 HB3 SER A 80 -9.666 28.340 12.990 1.00 20.42 H new ATOM 0 HG SER A 80 -8.796 27.989 10.728 1.00 23.84 H new ATOM 596 N ILE A 81 -12.179 29.808 12.399 1.00 17.34 N ATOM 597 CA ILE A 81 -13.523 29.762 11.847 1.00 18.92 C ATOM 598 C ILE A 81 -14.591 30.297 12.803 1.00 18.74 C ATOM 599 O ILE A 81 -15.787 30.065 12.594 1.00 18.82 O ATOM 600 CB ILE A 81 -13.873 28.310 11.419 1.00 16.07 C ATOM 601 CG1 ILE A 81 -13.541 27.334 12.551 1.00 14.62 C ATOM 602 CG2 ILE A 81 -13.096 27.941 10.166 1.00 15.16 C ATOM 603 CD1 ILE A 81 -13.785 25.868 12.181 1.00 13.80 C ATOM 0 H ILE A 81 -12.102 29.468 13.185 1.00 17.34 H new ATOM 0 HA ILE A 81 -13.524 30.348 11.074 1.00 18.92 H new ATOM 0 HB ILE A 81 -14.823 28.256 11.229 1.00 16.07 H new ATOM 0 HG12 ILE A 81 -12.611 27.446 12.804 1.00 14.62 H new ATOM 0 HG13 ILE A 81 -14.075 27.558 13.329 1.00 14.62 H new ATOM 0 HG21 ILE A 81 -13.318 27.034 9.903 1.00 15.16 H new ATOM 0 HG22 ILE A 81 -13.329 28.551 9.449 1.00 15.16 H new ATOM 0 HG23 ILE A 81 -12.145 28.002 10.345 1.00 15.16 H new ATOM 0 HD11 ILE A 81 -13.558 25.302 12.935 1.00 13.80 H new ATOM 0 HD12 ILE A 81 -14.720 25.743 11.953 1.00 13.80 H new ATOM 0 HD13 ILE A 81 -13.233 25.630 11.420 1.00 13.80 H new ATOM 604 N ALA A 82 -14.150 31.017 13.840 1.00 17.27 N ATOM 605 CA ALA A 82 -15.054 31.593 14.822 1.00 15.79 C ATOM 606 C ALA A 82 -15.982 30.487 15.319 1.00 17.17 C ATOM 607 O ALA A 82 -17.180 30.697 15.537 1.00 15.59 O ATOM 608 CB ALA A 82 -15.857 32.724 14.192 1.00 16.44 C ATOM 0 H ALA A 82 -13.319 31.181 13.988 1.00 17.27 H new ATOM 0 HA ALA A 82 -14.554 31.962 15.567 1.00 15.79 H new ATOM 0 HB1 ALA A 82 -16.457 33.102 14.853 1.00 16.44 H new ATOM 0 HB2 ALA A 82 -15.252 33.412 13.873 1.00 16.44 H new ATOM 0 HB3 ALA A 82 -16.374 32.378 13.447 1.00 16.44 H new ATOM 609 N HIS A 83 -15.400 29.304 15.496 1.00 16.50 N ATOM 610 CA HIS A 83 -16.129 28.129 15.966 1.00 16.68 C ATOM 611 C HIS A 83 -15.829 27.853 17.443 1.00 17.93 C ATOM 612 O HIS A 83 -14.682 27.932 17.877 1.00 17.60 O ATOM 613 CB HIS A 83 -15.717 26.907 15.139 1.00 14.56 C ATOM 614 CG HIS A 83 -16.385 25.638 15.561 1.00 13.73 C ATOM 615 ND1 HIS A 83 -15.766 24.409 15.482 1.00 14.49 N ATOM 616 CD2 HIS A 83 -17.619 25.403 16.059 1.00 12.85 C ATOM 617 CE1 HIS A 83 -16.588 23.473 15.915 1.00 12.96 C ATOM 618 NE2 HIS A 83 -17.721 24.048 16.272 1.00 15.16 N ATOM 0 H HIS A 83 -14.566 29.160 15.346 1.00 16.50 H new ATOM 0 HA HIS A 83 -17.079 28.300 15.865 1.00 16.68 H new ATOM 0 HB2 HIS A 83 -15.921 27.075 14.206 1.00 14.56 H new ATOM 0 HB3 HIS A 83 -14.756 26.793 15.203 1.00 14.56 H new ATOM 0 HD2 HIS A 83 -18.277 26.039 16.226 1.00 12.85 H new ATOM 0 HE1 HIS A 83 -16.401 22.563 15.961 1.00 12.96 H new ATOM 0 HE2 HIS A 83 -18.411 23.642 16.587 1.00 15.16 H new ATOM 619 N SER A 84 -16.858 27.531 18.217 1.00 20.14 N ATOM 620 CA SER A 84 -16.645 27.214 19.626 1.00 19.28 C ATOM 621 C SER A 84 -17.879 26.572 20.227 1.00 19.24 C ATOM 622 O SER A 84 -18.987 26.711 19.705 1.00 18.93 O ATOM 623 CB SER A 84 -16.282 28.479 20.418 1.00 21.75 C ATOM 624 OG SER A 84 -15.989 28.170 21.778 1.00 24.83 O ATOM 0 H SER A 84 -17.675 27.490 17.953 1.00 20.14 H new ATOM 0 HA SER A 84 -15.908 26.586 19.680 1.00 19.28 H new ATOM 0 HB2 SER A 84 -15.515 28.910 20.009 1.00 21.75 H new ATOM 0 HB3 SER A 84 -17.017 29.110 20.378 1.00 21.75 H new ATOM 0 HG SER A 84 -15.660 27.399 21.826 1.00 24.83 H new ATOM 625 N THR A 85 -17.685 25.840 21.314 1.00 17.73 N ATOM 626 CA THR A 85 -18.811 25.228 21.990 1.00 17.17 C ATOM 627 C THR A 85 -18.991 25.984 23.302 1.00 16.86 C ATOM 628 O THR A 85 -18.203 25.812 24.232 1.00 17.23 O ATOM 629 CB THR A 85 -18.572 23.727 22.311 1.00 17.11 C ATOM 630 OG1 THR A 85 -18.354 22.997 21.100 1.00 18.91 O ATOM 631 CG2 THR A 85 -19.783 23.136 23.021 1.00 15.84 C ATOM 0 H THR A 85 -16.918 25.688 21.671 1.00 17.73 H new ATOM 0 HA THR A 85 -19.590 25.274 21.414 1.00 17.17 H new ATOM 0 HB THR A 85 -17.793 23.661 22.885 1.00 17.11 H new ATOM 0 HG1 THR A 85 -18.320 22.175 21.270 1.00 18.91 H new ATOM 0 HG21 THR A 85 -19.620 22.200 23.215 1.00 15.84 H new ATOM 0 HG22 THR A 85 -19.938 23.615 23.850 1.00 15.84 H new ATOM 0 HG23 THR A 85 -20.564 23.216 22.451 1.00 15.84 H new ATOM 632 N LEU A 86 -19.994 26.856 23.358 1.00 15.88 N ATOM 633 CA LEU A 86 -20.281 27.591 24.585 1.00 17.89 C ATOM 634 C LEU A 86 -20.982 26.588 25.488 1.00 18.35 C ATOM 635 O LEU A 86 -22.017 26.041 25.124 1.00 17.94 O ATOM 636 CB LEU A 86 -21.198 28.791 24.318 1.00 16.63 C ATOM 637 CG LEU A 86 -20.596 29.901 23.453 1.00 18.05 C ATOM 638 CD1 LEU A 86 -21.497 31.120 23.508 1.00 16.91 C ATOM 639 CD2 LEU A 86 -19.209 30.253 23.956 1.00 17.34 C ATOM 0 H LEU A 86 -20.518 27.036 22.700 1.00 15.88 H new ATOM 0 HA LEU A 86 -19.471 27.949 24.981 1.00 17.89 H new ATOM 0 HB2 LEU A 86 -22.007 28.471 23.889 1.00 16.63 H new ATOM 0 HB3 LEU A 86 -21.461 29.173 25.170 1.00 16.63 H new ATOM 0 HG LEU A 86 -20.524 29.596 22.535 1.00 18.05 H new ATOM 0 HD11 LEU A 86 -21.120 31.827 22.961 1.00 16.91 H new ATOM 0 HD12 LEU A 86 -22.377 30.888 23.173 1.00 16.91 H new ATOM 0 HD13 LEU A 86 -21.571 31.427 24.425 1.00 16.91 H new ATOM 0 HD21 LEU A 86 -18.833 30.957 23.404 1.00 17.34 H new ATOM 0 HD22 LEU A 86 -19.266 30.559 24.875 1.00 17.34 H new ATOM 0 HD23 LEU A 86 -18.640 29.469 23.911 1.00 17.34 H new ATOM 640 N ILE A 87 -20.413 26.343 26.661 1.00 17.89 N ATOM 641 CA ILE A 87 -20.968 25.363 27.585 1.00 18.05 C ATOM 642 C ILE A 87 -21.401 26.016 28.885 1.00 18.00 C ATOM 643 O ILE A 87 -20.579 26.512 29.644 1.00 17.40 O ATOM 644 CB ILE A 87 -19.929 24.275 27.860 1.00 18.81 C ATOM 645 CG1 ILE A 87 -19.569 23.586 26.534 1.00 19.59 C ATOM 646 CG2 ILE A 87 -20.451 23.291 28.894 1.00 21.84 C ATOM 647 CD1 ILE A 87 -18.267 22.790 26.562 1.00 19.73 C ATOM 0 H ILE A 87 -19.701 26.735 26.942 1.00 17.89 H new ATOM 0 HA ILE A 87 -21.754 24.966 27.177 1.00 18.05 H new ATOM 0 HB ILE A 87 -19.123 24.668 28.230 1.00 18.81 H new ATOM 0 HG12 ILE A 87 -20.293 22.990 26.286 1.00 19.59 H new ATOM 0 HG13 ILE A 87 -19.507 24.260 25.840 1.00 19.59 H new ATOM 0 HG21 ILE A 87 -19.782 22.608 29.058 1.00 21.84 H new ATOM 0 HG22 ILE A 87 -20.642 23.761 29.721 1.00 21.84 H new ATOM 0 HG23 ILE A 87 -21.263 22.875 28.564 1.00 21.84 H new ATOM 0 HD11 ILE A 87 -18.114 22.389 25.692 1.00 19.73 H new ATOM 0 HD12 ILE A 87 -17.530 23.382 26.779 1.00 19.73 H new ATOM 0 HD13 ILE A 87 -18.329 22.092 27.233 1.00 19.73 H new ATOM 648 N PHE A 88 -22.708 26.013 29.121 1.00 19.89 N ATOM 649 CA PHE A 88 -23.300 26.606 30.316 1.00 19.20 C ATOM 650 C PHE A 88 -23.486 25.544 31.393 1.00 22.13 C ATOM 651 O PHE A 88 -24.609 25.178 31.743 1.00 20.98 O ATOM 652 CB PHE A 88 -24.629 27.241 29.939 1.00 17.19 C ATOM 653 CG PHE A 88 -24.499 28.277 28.864 1.00 18.04 C ATOM 654 CD1 PHE A 88 -24.328 29.625 29.189 1.00 14.62 C ATOM 655 CD2 PHE A 88 -24.451 27.895 27.517 1.00 15.93 C ATOM 656 CE1 PHE A 88 -24.108 30.579 28.192 1.00 15.05 C ATOM 657 CE2 PHE A 88 -24.229 28.838 26.515 1.00 15.33 C ATOM 658 CZ PHE A 88 -24.056 30.189 26.856 1.00 15.79 C ATOM 0 H PHE A 88 -23.283 25.663 28.586 1.00 19.89 H new ATOM 0 HA PHE A 88 -22.712 27.289 30.675 1.00 19.20 H new ATOM 0 HB2 PHE A 88 -25.240 26.549 29.642 1.00 17.19 H new ATOM 0 HB3 PHE A 88 -25.023 27.647 30.727 1.00 17.19 H new ATOM 0 HD1 PHE A 88 -24.361 29.891 30.080 1.00 14.62 H new ATOM 0 HD2 PHE A 88 -24.569 27.001 27.289 1.00 15.93 H new ATOM 0 HE1 PHE A 88 -23.996 31.474 28.420 1.00 15.05 H new ATOM 0 HE2 PHE A 88 -24.196 28.573 25.624 1.00 15.33 H new ATOM 0 HZ PHE A 88 -23.907 30.822 26.191 1.00 15.79 H new ATOM 659 N ALA A 89 -22.354 25.062 31.903 1.00 21.83 N ATOM 660 CA ALA A 89 -22.306 24.032 32.931 1.00 23.35 C ATOM 661 C ALA A 89 -20.865 23.950 33.432 1.00 24.85 C ATOM 662 O ALA A 89 -19.936 24.382 32.742 1.00 24.78 O ATOM 663 CB ALA A 89 -22.727 22.689 32.344 1.00 25.24 C ATOM 0 H ALA A 89 -21.577 25.333 31.653 1.00 21.83 H new ATOM 0 HA ALA A 89 -22.910 24.248 33.658 1.00 23.35 H new ATOM 0 HB1 ALA A 89 -22.692 22.009 33.035 1.00 25.24 H new ATOM 0 HB2 ALA A 89 -23.632 22.755 32.001 1.00 25.24 H new ATOM 0 HB3 ALA A 89 -22.125 22.448 31.623 1.00 25.24 H new ATOM 664 N ASP A 90 -20.670 23.402 34.625 1.00 24.62 N ATOM 665 CA ASP A 90 -19.325 23.283 35.159 1.00 26.54 C ATOM 666 C ASP A 90 -18.507 22.409 34.217 1.00 24.62 C ATOM 667 O ASP A 90 -19.052 21.554 33.524 1.00 26.12 O ATOM 668 CB ASP A 90 -19.340 22.647 36.555 1.00 30.93 C ATOM 669 CG ASP A 90 -20.034 23.512 37.592 1.00 33.59 C ATOM 670 OD1 ASP A 90 -19.748 24.725 37.648 1.00 34.91 O ATOM 671 OD2 ASP A 90 -20.859 22.969 38.357 1.00 38.27 O ATOM 0 H ASP A 90 -21.294 23.098 35.133 1.00 24.62 H new ATOM 0 HA ASP A 90 -18.935 24.168 35.233 1.00 26.54 H new ATOM 0 HB2 ASP A 90 -19.785 21.786 36.508 1.00 30.93 H new ATOM 0 HB3 ASP A 90 -18.428 22.479 36.839 1.00 30.93 H new ATOM 672 N ALA A 91 -17.200 22.631 34.182 1.00 24.35 N ATOM 673 CA ALA A 91 -16.333 21.833 33.333 1.00 24.36 C ATOM 674 C ALA A 91 -16.104 20.508 34.040 1.00 26.12 C ATOM 675 O ALA A 91 -16.121 20.438 35.274 1.00 25.02 O ATOM 676 CB ALA A 91 -15.014 22.544 33.120 1.00 25.13 C ATOM 0 H ALA A 91 -16.798 23.237 34.641 1.00 24.35 H new ATOM 0 HA ALA A 91 -16.740 21.692 32.464 1.00 24.36 H new ATOM 0 HB1 ALA A 91 -14.443 22.003 32.552 1.00 25.13 H new ATOM 0 HB2 ALA A 91 -15.173 23.401 32.695 1.00 25.13 H new ATOM 0 HB3 ALA A 91 -14.580 22.684 33.976 1.00 25.13 H new ATOM 677 N PRO A 92 -15.916 19.427 33.276 1.00 27.20 N ATOM 678 CA PRO A 92 -15.688 18.145 33.943 1.00 29.99 C ATOM 679 C PRO A 92 -14.382 18.153 34.736 1.00 32.30 C ATOM 680 O PRO A 92 -13.424 18.834 34.364 1.00 32.31 O ATOM 681 CB PRO A 92 -15.683 17.147 32.783 1.00 28.41 C ATOM 682 CG PRO A 92 -15.217 17.970 31.630 1.00 27.79 C ATOM 683 CD PRO A 92 -15.958 19.267 31.816 1.00 27.10 C ATOM 0 HA PRO A 92 -16.360 17.926 34.608 1.00 29.99 H new ATOM 0 HB2 PRO A 92 -15.088 16.401 32.955 1.00 28.41 H new ATOM 0 HB3 PRO A 92 -16.565 16.776 32.625 1.00 28.41 H new ATOM 0 HG2 PRO A 92 -14.256 18.100 31.647 1.00 27.79 H new ATOM 0 HG3 PRO A 92 -15.432 17.553 30.781 1.00 27.79 H new ATOM 0 HD2 PRO A 92 -15.525 20.003 31.356 1.00 27.10 H new ATOM 0 HD3 PRO A 92 -16.867 19.219 31.481 1.00 27.10 H new ATOM 684 N THR A 93 -14.357 17.411 35.840 1.00 35.57 N ATOM 685 CA THR A 93 -13.166 17.336 36.676 1.00 37.96 C ATOM 686 C THR A 93 -12.086 16.547 35.962 1.00 39.02 C ATOM 687 O THR A 93 -10.903 16.682 36.260 1.00 40.37 O ATOM 688 CB THR A 93 -13.464 16.653 38.018 1.00 37.45 C ATOM 689 OG1 THR A 93 -14.130 15.408 37.781 1.00 38.31 O ATOM 690 CG2 THR A 93 -14.332 17.547 38.887 1.00 38.40 C ATOM 0 H THR A 93 -15.021 16.943 36.122 1.00 35.57 H new ATOM 0 HA THR A 93 -12.869 18.244 36.845 1.00 37.96 H new ATOM 0 HB THR A 93 -12.628 16.490 38.482 1.00 37.45 H new ATOM 0 HG1 THR A 93 -14.292 15.033 38.515 1.00 38.31 H new ATOM 0 HG21 THR A 93 -14.512 17.103 39.730 1.00 38.40 H new ATOM 0 HG22 THR A 93 -13.870 18.383 39.054 1.00 38.40 H new ATOM 0 HG23 THR A 93 -15.169 17.727 38.432 1.00 38.40 H new ATOM 691 N ASP A 94 -12.504 15.712 35.020 1.00 40.43 N ATOM 692 CA ASP A 94 -11.561 14.914 34.255 1.00 42.85 C ATOM 693 C ASP A 94 -11.190 15.646 32.964 1.00 42.88 C ATOM 694 O ASP A 94 -12.009 15.785 32.055 1.00 41.68 O ATOM 695 CB ASP A 94 -12.163 13.543 33.941 1.00 43.67 C ATOM 696 CG ASP A 94 -11.203 12.653 33.181 1.00 44.80 C ATOM 697 OD1 ASP A 94 -9.982 12.764 33.423 1.00 43.70 O ATOM 698 OD2 ASP A 94 -11.668 11.836 32.355 1.00 44.49 O ATOM 0 H ASP A 94 -13.329 15.594 34.809 1.00 40.43 H new ATOM 0 HA ASP A 94 -10.757 14.782 34.781 1.00 42.85 H new ATOM 0 HB2 ASP A 94 -12.418 13.107 34.769 1.00 43.67 H new ATOM 0 HB3 ASP A 94 -12.973 13.660 33.421 1.00 43.67 H new ATOM 699 N GLU A 95 -9.946 16.114 32.899 1.00 43.37 N ATOM 700 CA GLU A 95 -9.442 16.850 31.741 1.00 42.98 C ATOM 701 C GLU A 95 -9.653 16.167 30.399 1.00 40.48 C ATOM 702 O GLU A 95 -9.980 16.809 29.405 1.00 39.18 O ATOM 703 CB GLU A 95 -7.959 17.152 31.923 1.00 45.52 C ATOM 704 CG GLU A 95 -7.703 18.346 32.818 1.00 49.83 C ATOM 705 CD GLU A 95 -8.538 19.550 32.415 1.00 50.69 C ATOM 706 OE1 GLU A 95 -9.630 19.736 32.996 1.00 50.38 O ATOM 707 OE2 GLU A 95 -8.105 20.296 31.506 1.00 49.78 O ATOM 0 H GLU A 95 -9.368 16.013 33.528 1.00 43.37 H new ATOM 0 HA GLU A 95 -9.969 17.663 31.710 1.00 42.98 H new ATOM 0 HB2 GLU A 95 -7.519 16.373 32.298 1.00 45.52 H new ATOM 0 HB3 GLU A 95 -7.558 17.313 31.055 1.00 45.52 H new ATOM 0 HG2 GLU A 95 -7.902 18.109 33.737 1.00 49.83 H new ATOM 0 HG3 GLU A 95 -6.762 18.580 32.783 1.00 49.83 H new ATOM 708 N ASP A 96 -9.450 14.864 30.365 1.00 39.23 N ATOM 709 CA ASP A 96 -9.634 14.134 29.129 1.00 38.19 C ATOM 710 C ASP A 96 -11.083 14.242 28.669 1.00 36.12 C ATOM 711 O ASP A 96 -11.409 13.886 27.536 1.00 36.02 O ATOM 712 CB ASP A 96 -9.215 12.679 29.337 1.00 40.45 C ATOM 713 CG ASP A 96 -7.709 12.530 29.508 1.00 42.67 C ATOM 714 OD1 ASP A 96 -7.070 13.482 30.011 1.00 44.04 O ATOM 715 OD2 ASP A 96 -7.169 11.461 29.148 1.00 44.77 O ATOM 0 H ASP A 96 -9.208 14.388 31.039 1.00 39.23 H new ATOM 0 HA ASP A 96 -9.078 14.515 28.432 1.00 38.19 H new ATOM 0 HB2 ASP A 96 -9.664 12.324 30.120 1.00 40.45 H new ATOM 0 HB3 ASP A 96 -9.506 12.149 28.579 1.00 40.45 H new ATOM 716 N ASP A 97 -11.952 14.744 29.545 1.00 34.35 N ATOM 717 CA ASP A 97 -13.363 14.904 29.198 1.00 34.22 C ATOM 718 C ASP A 97 -13.741 16.329 28.813 1.00 31.80 C ATOM 719 O ASP A 97 -14.862 16.577 28.362 1.00 31.60 O ATOM 720 CB ASP A 97 -14.264 14.434 30.342 1.00 38.09 C ATOM 721 CG ASP A 97 -14.391 12.925 30.396 1.00 40.87 C ATOM 722 OD1 ASP A 97 -14.779 12.329 29.370 1.00 43.16 O ATOM 723 OD2 ASP A 97 -14.101 12.336 31.457 1.00 44.49 O ATOM 0 H ASP A 97 -11.746 14.997 30.341 1.00 34.35 H new ATOM 0 HA ASP A 97 -13.500 14.349 28.414 1.00 34.22 H new ATOM 0 HB2 ASP A 97 -13.907 14.756 31.184 1.00 38.09 H new ATOM 0 HB3 ASP A 97 -15.145 14.827 30.238 1.00 38.09 H new ATOM 724 N VAL A 98 -12.810 17.261 28.993 1.00 27.35 N ATOM 725 CA VAL A 98 -13.050 18.652 28.647 1.00 25.23 C ATOM 726 C VAL A 98 -13.212 18.719 27.131 1.00 24.80 C ATOM 727 O VAL A 98 -12.500 18.030 26.396 1.00 26.54 O ATOM 728 CB VAL A 98 -11.856 19.558 29.106 1.00 26.23 C ATOM 729 CG1 VAL A 98 -11.979 20.959 28.518 1.00 24.54 C ATOM 730 CG2 VAL A 98 -11.824 19.644 30.636 1.00 23.43 C ATOM 0 H VAL A 98 -12.029 17.104 29.316 1.00 27.35 H new ATOM 0 HA VAL A 98 -13.846 18.977 29.096 1.00 25.23 H new ATOM 0 HB VAL A 98 -11.032 19.160 28.785 1.00 26.23 H new ATOM 0 HG11 VAL A 98 -11.231 21.501 28.814 1.00 24.54 H new ATOM 0 HG12 VAL A 98 -11.975 20.905 27.550 1.00 24.54 H new ATOM 0 HG13 VAL A 98 -12.809 21.363 28.815 1.00 24.54 H new ATOM 0 HG21 VAL A 98 -11.083 20.206 30.913 1.00 23.43 H new ATOM 0 HG22 VAL A 98 -12.656 20.026 30.956 1.00 23.43 H new ATOM 0 HG23 VAL A 98 -11.712 18.755 31.008 1.00 23.43 H new ATOM 731 N ILE A 99 -14.174 19.517 26.671 1.00 22.58 N ATOM 732 CA ILE A 99 -14.414 19.693 25.242 1.00 20.74 C ATOM 733 C ILE A 99 -13.259 20.560 24.737 1.00 19.64 C ATOM 734 O ILE A 99 -13.028 21.654 25.259 1.00 18.11 O ATOM 735 CB ILE A 99 -15.764 20.422 24.984 1.00 19.85 C ATOM 736 CG1 ILE A 99 -16.933 19.593 25.550 1.00 22.30 C ATOM 737 CG2 ILE A 99 -15.930 20.710 23.494 1.00 18.14 C ATOM 738 CD1 ILE A 99 -17.038 18.162 25.009 1.00 23.50 C ATOM 0 H ILE A 99 -14.703 19.969 27.176 1.00 22.58 H new ATOM 0 HA ILE A 99 -14.462 18.836 24.790 1.00 20.74 H new ATOM 0 HB ILE A 99 -15.764 21.275 25.446 1.00 19.85 H new ATOM 0 HG12 ILE A 99 -16.845 19.553 26.515 1.00 22.30 H new ATOM 0 HG13 ILE A 99 -17.763 20.058 25.359 1.00 22.30 H new ATOM 0 HG21 ILE A 99 -16.774 21.164 23.344 1.00 18.14 H new ATOM 0 HG22 ILE A 99 -15.201 21.274 23.190 1.00 18.14 H new ATOM 0 HG23 ILE A 99 -15.920 19.875 23.000 1.00 18.14 H new ATOM 0 HD11 ILE A 99 -17.797 17.716 25.417 1.00 23.50 H new ATOM 0 HD12 ILE A 99 -17.158 18.188 24.047 1.00 23.50 H new ATOM 0 HD13 ILE A 99 -16.226 17.675 25.221 1.00 23.50 H new ATOM 739 N ARG A 100 -12.536 20.081 23.729 1.00 18.80 N ATOM 740 CA ARG A 100 -11.389 20.825 23.211 1.00 19.76 C ATOM 741 C ARG A 100 -11.665 22.227 22.709 1.00 17.58 C ATOM 742 O ARG A 100 -10.855 23.123 22.919 1.00 17.22 O ATOM 743 CB ARG A 100 -10.665 20.032 22.124 1.00 24.23 C ATOM 744 CG ARG A 100 -9.472 19.267 22.659 1.00 30.58 C ATOM 745 CD ARG A 100 -9.836 17.846 23.011 1.00 35.99 C ATOM 746 NE ARG A 100 -10.164 17.067 21.820 1.00 42.12 N ATOM 747 CZ ARG A 100 -9.301 16.750 20.856 1.00 44.22 C ATOM 748 NH1 ARG A 100 -8.036 17.149 20.927 1.00 46.01 N ATOM 749 NH2 ARG A 100 -9.697 16.002 19.834 1.00 43.64 N ATOM 0 H ARG A 100 -12.690 19.333 23.333 1.00 18.80 H new ATOM 0 HA ARG A 100 -10.828 20.941 23.994 1.00 19.76 H new ATOM 0 HB2 ARG A 100 -11.286 19.410 21.714 1.00 24.23 H new ATOM 0 HB3 ARG A 100 -10.370 20.639 21.428 1.00 24.23 H new ATOM 0 HG2 ARG A 100 -8.764 19.266 21.996 1.00 30.58 H new ATOM 0 HG3 ARG A 100 -9.124 19.717 23.445 1.00 30.58 H new ATOM 0 HD2 ARG A 100 -9.096 17.428 23.479 1.00 35.99 H new ATOM 0 HD3 ARG A 100 -10.593 17.845 23.618 1.00 35.99 H new ATOM 0 HE ARG A 100 -10.975 16.793 21.735 1.00 42.12 H new ATOM 0 HH11 ARG A 100 -7.769 17.615 21.599 1.00 46.01 H new ATOM 0 HH12 ARG A 100 -7.484 16.941 20.301 1.00 46.01 H new ATOM 0 HH21 ARG A 100 -10.509 15.723 19.795 1.00 43.64 H new ATOM 0 HH22 ARG A 100 -9.141 15.796 19.211 1.00 43.64 H new ATOM 750 N ASN A 101 -12.798 22.435 22.049 1.00 17.57 N ATOM 751 CA ASN A 101 -13.105 23.772 21.564 1.00 17.89 C ATOM 752 C ASN A 101 -14.162 24.428 22.450 1.00 18.72 C ATOM 753 O ASN A 101 -14.833 25.375 22.035 1.00 19.31 O ATOM 754 CB ASN A 101 -13.585 23.733 20.105 1.00 17.44 C ATOM 755 CG ASN A 101 -15.006 23.235 19.961 1.00 17.12 C ATOM 756 OD1 ASN A 101 -15.623 23.401 18.911 1.00 19.81 O ATOM 757 ND2 ASN A 101 -15.528 22.615 21.001 1.00 15.89 N ATOM 0 H ASN A 101 -13.387 21.833 21.875 1.00 17.57 H new ATOM 0 HA ASN A 101 -12.292 24.300 21.601 1.00 17.89 H new ATOM 0 HB2 ASN A 101 -13.520 24.623 19.725 1.00 17.44 H new ATOM 0 HB3 ASN A 101 -12.994 23.161 19.591 1.00 17.44 H new ATOM 0 HD21 ASN A 101 -16.330 22.308 20.961 1.00 15.89 H new ATOM 0 HD22 ASN A 101 -15.066 22.517 21.720 1.00 15.89 H new ATOM 758 N GLY A 102 -14.296 23.935 23.679 1.00 17.42 N ATOM 759 CA GLY A 102 -15.302 24.492 24.571 1.00 15.91 C ATOM 760 C GLY A 102 -14.901 25.692 25.409 1.00 15.34 C ATOM 761 O GLY A 102 -13.736 25.910 25.735 1.00 14.39 O ATOM 0 H GLY A 102 -13.826 23.294 24.008 1.00 17.42 H new ATOM 0 HA2 GLY A 102 -16.071 24.743 24.036 1.00 15.91 H new ATOM 0 HA3 GLY A 102 -15.592 23.789 25.173 1.00 15.91 H new ATOM 762 N VAL A 103 -15.892 26.501 25.739 1.00 14.68 N ATOM 763 CA VAL A 103 -15.676 27.652 26.597 1.00 14.20 C ATOM 764 C VAL A 103 -16.782 27.502 27.630 1.00 14.02 C ATOM 765 O VAL A 103 -17.968 27.601 27.310 1.00 12.13 O ATOM 766 CB VAL A 103 -15.818 28.981 25.843 1.00 14.36 C ATOM 767 CG1 VAL A 103 -15.574 30.138 26.804 1.00 13.15 C ATOM 768 CG2 VAL A 103 -14.818 29.023 24.695 1.00 15.12 C ATOM 0 H VAL A 103 -16.704 26.401 25.475 1.00 14.68 H new ATOM 0 HA VAL A 103 -14.781 27.675 26.970 1.00 14.20 H new ATOM 0 HB VAL A 103 -16.714 29.059 25.480 1.00 14.36 H new ATOM 0 HG11 VAL A 103 -15.664 30.979 26.328 1.00 13.15 H new ATOM 0 HG12 VAL A 103 -16.223 30.104 27.524 1.00 13.15 H new ATOM 0 HG13 VAL A 103 -14.679 30.069 27.173 1.00 13.15 H new ATOM 0 HG21 VAL A 103 -14.908 29.863 24.218 1.00 15.12 H new ATOM 0 HG22 VAL A 103 -13.917 28.946 25.047 1.00 15.12 H new ATOM 0 HG23 VAL A 103 -14.991 28.287 24.088 1.00 15.12 H new ATOM 769 N TYR A 104 -16.375 27.216 28.859 1.00 14.31 N ATOM 770 CA TYR A 104 -17.304 27.006 29.958 1.00 16.26 C ATOM 771 C TYR A 104 -17.684 28.325 30.600 1.00 16.73 C ATOM 772 O TYR A 104 -16.812 29.119 30.967 1.00 16.22 O ATOM 773 CB TYR A 104 -16.670 26.061 30.967 1.00 16.37 C ATOM 774 CG TYR A 104 -16.499 24.676 30.401 1.00 16.81 C ATOM 775 CD1 TYR A 104 -17.429 23.675 30.667 1.00 18.61 C ATOM 776 CD2 TYR A 104 -15.443 24.380 29.549 1.00 18.18 C ATOM 777 CE1 TYR A 104 -17.308 22.410 30.098 1.00 18.61 C ATOM 778 CE2 TYR A 104 -15.316 23.120 28.973 1.00 16.90 C ATOM 779 CZ TYR A 104 -16.250 22.142 29.254 1.00 19.25 C ATOM 780 OH TYR A 104 -16.118 20.891 28.699 1.00 17.23 O ATOM 0 H TYR A 104 -15.547 27.138 29.080 1.00 14.31 H new ATOM 0 HA TYR A 104 -18.121 26.606 29.621 1.00 16.26 H new ATOM 0 HB2 TYR A 104 -15.806 26.409 31.238 1.00 16.37 H new ATOM 0 HB3 TYR A 104 -17.222 26.020 31.763 1.00 16.37 H new ATOM 0 HD1 TYR A 104 -18.144 23.854 31.235 1.00 18.61 H new ATOM 0 HD2 TYR A 104 -14.810 25.035 29.360 1.00 18.18 H new ATOM 0 HE1 TYR A 104 -17.936 21.750 30.286 1.00 18.61 H new ATOM 0 HE2 TYR A 104 -14.606 22.937 28.401 1.00 16.90 H new ATOM 0 HH TYR A 104 -16.805 20.437 28.864 1.00 17.23 H new ATOM 781 N LEU A 105 -18.993 28.539 30.740 1.00 16.99 N ATOM 782 CA LEU A 105 -19.521 29.787 31.281 1.00 17.58 C ATOM 783 C LEU A 105 -20.439 29.657 32.492 1.00 20.16 C ATOM 784 O LEU A 105 -21.063 28.617 32.718 1.00 19.21 O ATOM 785 CB LEU A 105 -20.297 30.528 30.179 1.00 18.15 C ATOM 786 CG LEU A 105 -19.597 30.813 28.844 1.00 18.66 C ATOM 787 CD1 LEU A 105 -20.555 31.467 27.860 1.00 17.01 C ATOM 788 CD2 LEU A 105 -18.404 31.719 29.101 1.00 18.01 C ATOM 0 H LEU A 105 -19.596 27.965 30.524 1.00 16.99 H new ATOM 0 HA LEU A 105 -18.738 30.269 31.589 1.00 17.58 H new ATOM 0 HB2 LEU A 105 -21.097 30.014 29.987 1.00 18.15 H new ATOM 0 HB3 LEU A 105 -20.587 31.378 30.545 1.00 18.15 H new ATOM 0 HG LEU A 105 -19.297 29.977 28.454 1.00 18.66 H new ATOM 0 HD11 LEU A 105 -20.094 31.638 27.024 1.00 17.01 H new ATOM 0 HD12 LEU A 105 -21.307 30.876 27.698 1.00 17.01 H new ATOM 0 HD13 LEU A 105 -20.876 32.304 28.229 1.00 17.01 H new ATOM 0 HD21 LEU A 105 -17.953 31.906 28.263 1.00 18.01 H new ATOM 0 HD22 LEU A 105 -18.708 32.551 29.497 1.00 18.01 H new ATOM 0 HD23 LEU A 105 -17.788 31.279 29.708 1.00 18.01 H new ATOM 789 N THR A 106 -20.503 30.740 33.265 1.00 21.44 N ATOM 790 CA THR A 106 -21.380 30.851 34.425 1.00 23.55 C ATOM 791 C THR A 106 -21.848 32.319 34.438 1.00 25.75 C ATOM 792 O THR A 106 -21.084 33.231 34.097 1.00 24.84 O ATOM 793 CB THR A 106 -20.655 30.485 35.756 1.00 23.61 C ATOM 794 OG1 THR A 106 -21.600 30.502 36.830 1.00 23.21 O ATOM 795 CG2 THR A 106 -19.533 31.458 36.057 1.00 23.12 C ATOM 0 H THR A 106 -20.028 31.443 33.126 1.00 21.44 H new ATOM 0 HA THR A 106 -22.120 30.228 34.360 1.00 23.55 H new ATOM 0 HB THR A 106 -20.271 29.599 35.661 1.00 23.61 H new ATOM 0 HG1 THR A 106 -21.212 30.304 37.548 1.00 23.21 H new ATOM 0 HG21 THR A 106 -19.101 31.207 36.888 1.00 23.12 H new ATOM 0 HG22 THR A 106 -18.884 31.437 35.336 1.00 23.12 H new ATOM 0 HG23 THR A 106 -19.895 32.354 36.139 1.00 23.12 H new ATOM 796 N PRO A 107 -23.114 32.570 34.816 1.00 25.77 N ATOM 797 CA PRO A 107 -24.152 31.625 35.241 1.00 25.70 C ATOM 798 C PRO A 107 -24.513 30.599 34.164 1.00 24.82 C ATOM 799 O PRO A 107 -24.229 30.803 32.983 1.00 24.63 O ATOM 800 CB PRO A 107 -25.316 32.547 35.581 1.00 26.68 C ATOM 801 CG PRO A 107 -25.197 33.589 34.513 1.00 26.51 C ATOM 802 CD PRO A 107 -23.708 33.893 34.547 1.00 26.94 C ATOM 0 HA PRO A 107 -23.871 31.067 35.983 1.00 25.70 H new ATOM 0 HB2 PRO A 107 -26.169 32.086 35.547 1.00 26.68 H new ATOM 0 HB3 PRO A 107 -25.234 32.925 36.470 1.00 26.68 H new ATOM 0 HG2 PRO A 107 -25.482 33.258 33.647 1.00 26.51 H new ATOM 0 HG3 PRO A 107 -25.734 34.373 34.707 1.00 26.51 H new ATOM 0 HD2 PRO A 107 -23.397 34.264 33.707 1.00 26.94 H new ATOM 0 HD3 PRO A 107 -23.487 34.535 35.240 1.00 26.94 H new ATOM 803 N HIS A 108 -25.157 29.510 34.582 1.00 22.79 N ATOM 804 CA HIS A 108 -25.543 28.438 33.671 1.00 22.39 C ATOM 805 C HIS A 108 -26.860 28.670 32.935 1.00 24.32 C ATOM 806 O HIS A 108 -27.398 27.755 32.323 1.00 25.33 O ATOM 807 CB HIS A 108 -25.609 27.119 34.435 1.00 22.59 C ATOM 808 CG HIS A 108 -24.318 26.741 35.089 1.00 21.50 C ATOM 809 ND1 HIS A 108 -24.244 25.827 36.116 1.00 18.71 N ATOM 810 CD2 HIS A 108 -23.048 27.149 34.857 1.00 23.45 C ATOM 811 CE1 HIS A 108 -22.985 25.686 36.490 1.00 19.91 C ATOM 812 NE2 HIS A 108 -22.238 26.478 35.742 1.00 21.02 N ATOM 0 H HIS A 108 -25.381 29.374 35.401 1.00 22.79 H new ATOM 0 HA HIS A 108 -24.858 28.414 32.984 1.00 22.39 H new ATOM 0 HB2 HIS A 108 -26.300 27.181 35.113 1.00 22.59 H new ATOM 0 HB3 HIS A 108 -25.872 26.413 33.824 1.00 22.59 H new ATOM 0 HD1 HIS A 108 -24.914 25.412 36.461 1.00 18.71 H new ATOM 0 HD2 HIS A 108 -22.775 27.767 34.218 1.00 23.45 H new ATOM 0 HE1 HIS A 108 -22.677 25.125 37.165 1.00 19.91 H new ATOM 813 N GLN A 109 -27.373 29.894 32.996 1.00 26.63 N ATOM 814 CA GLN A 109 -28.618 30.256 32.315 1.00 27.93 C ATOM 815 C GLN A 109 -28.303 30.598 30.851 1.00 27.01 C ATOM 816 O GLN A 109 -27.386 31.374 30.575 1.00 25.28 O ATOM 817 CB GLN A 109 -29.253 31.468 33.007 1.00 32.83 C ATOM 818 CG GLN A 109 -30.511 31.993 32.344 1.00 39.60 C ATOM 819 CD GLN A 109 -31.007 33.281 32.983 1.00 45.47 C ATOM 820 OE1 GLN A 109 -32.108 33.333 33.535 1.00 46.17 O ATOM 821 NE2 GLN A 109 -30.190 34.328 32.913 1.00 46.73 N ATOM 0 H GLN A 109 -27.011 30.540 33.433 1.00 26.63 H new ATOM 0 HA GLN A 109 -29.240 29.513 32.351 1.00 27.93 H new ATOM 0 HB2 GLN A 109 -29.462 31.228 33.923 1.00 32.83 H new ATOM 0 HB3 GLN A 109 -28.599 32.183 33.043 1.00 32.83 H new ATOM 0 HG2 GLN A 109 -30.337 32.148 31.402 1.00 39.60 H new ATOM 0 HG3 GLN A 109 -31.207 31.319 32.397 1.00 39.60 H new ATOM 0 HE21 GLN A 109 -29.429 34.254 32.520 1.00 46.73 H new ATOM 0 HE22 GLN A 109 -30.423 35.079 33.261 1.00 46.73 H new ATOM 822 N LEU A 110 -29.052 30.018 29.913 1.00 25.76 N ATOM 823 CA LEU A 110 -28.807 30.287 28.500 1.00 25.74 C ATOM 824 C LEU A 110 -29.105 31.740 28.188 1.00 26.41 C ATOM 825 O LEU A 110 -30.019 32.338 28.765 1.00 24.42 O ATOM 826 CB LEU A 110 -29.646 29.376 27.592 1.00 26.46 C ATOM 827 CG LEU A 110 -28.984 28.044 27.205 1.00 27.25 C ATOM 828 CD1 LEU A 110 -28.797 27.185 28.446 1.00 25.30 C ATOM 829 CD2 LEU A 110 -29.833 27.310 26.171 1.00 25.27 C ATOM 0 H LEU A 110 -29.698 29.473 30.072 1.00 25.76 H new ATOM 0 HA LEU A 110 -27.871 30.101 28.324 1.00 25.74 H new ATOM 0 HB2 LEU A 110 -30.486 29.185 28.038 1.00 26.46 H new ATOM 0 HB3 LEU A 110 -29.860 29.862 26.780 1.00 26.46 H new ATOM 0 HG LEU A 110 -28.115 28.224 26.813 1.00 27.25 H new ATOM 0 HD11 LEU A 110 -28.379 26.345 28.199 1.00 25.30 H new ATOM 0 HD12 LEU A 110 -28.232 27.652 29.081 1.00 25.30 H new ATOM 0 HD13 LEU A 110 -29.661 27.009 28.851 1.00 25.30 H new ATOM 0 HD21 LEU A 110 -29.404 26.472 25.936 1.00 25.27 H new ATOM 0 HD22 LEU A 110 -30.711 27.131 26.542 1.00 25.27 H new ATOM 0 HD23 LEU A 110 -29.924 27.860 25.377 1.00 25.27 H new ATOM 830 N PRO A 111 -28.323 32.334 27.274 1.00 25.49 N ATOM 831 CA PRO A 111 -28.525 33.734 26.907 1.00 25.25 C ATOM 832 C PRO A 111 -29.641 33.864 25.898 1.00 25.84 C ATOM 833 O PRO A 111 -29.977 32.900 25.211 1.00 26.34 O ATOM 834 CB PRO A 111 -27.179 34.123 26.314 1.00 23.47 C ATOM 835 CG PRO A 111 -26.793 32.887 25.586 1.00 21.60 C ATOM 836 CD PRO A 111 -27.163 31.769 26.561 1.00 23.86 C ATOM 0 HA PRO A 111 -28.786 34.301 27.649 1.00 25.25 H new ATOM 0 HB2 PRO A 111 -27.251 34.887 25.720 1.00 23.47 H new ATOM 0 HB3 PRO A 111 -26.534 34.357 27.000 1.00 23.47 H new ATOM 0 HG2 PRO A 111 -27.272 32.802 24.747 1.00 21.60 H new ATOM 0 HG3 PRO A 111 -25.846 32.878 25.374 1.00 21.60 H new ATOM 0 HD2 PRO A 111 -27.389 30.947 26.098 1.00 23.86 H new ATOM 0 HD3 PRO A 111 -26.434 31.562 27.166 1.00 23.86 H new ATOM 837 N LYS A 112 -30.227 35.051 25.824 1.00 26.08 N ATOM 838 CA LYS A 112 -31.285 35.305 24.860 1.00 27.53 C ATOM 839 C LYS A 112 -30.590 35.759 23.582 1.00 26.30 C ATOM 840 O LYS A 112 -29.965 36.821 23.547 1.00 24.36 O ATOM 841 CB LYS A 112 -32.226 36.386 25.385 1.00 32.10 C ATOM 842 CG LYS A 112 -33.043 35.922 26.574 1.00 38.30 C ATOM 843 CD LYS A 112 -33.606 37.092 27.359 1.00 42.66 C ATOM 844 CE LYS A 112 -34.709 37.807 26.607 1.00 45.19 C ATOM 845 NZ LYS A 112 -35.865 36.897 26.385 1.00 47.63 N ATOM 0 H LYS A 112 -30.026 35.722 26.323 1.00 26.08 H new ATOM 0 HA LYS A 112 -31.824 34.515 24.700 1.00 27.53 H new ATOM 0 HB2 LYS A 112 -31.708 37.166 25.638 1.00 32.10 H new ATOM 0 HB3 LYS A 112 -32.825 36.662 24.674 1.00 32.10 H new ATOM 0 HG2 LYS A 112 -33.770 35.358 26.267 1.00 38.30 H new ATOM 0 HG3 LYS A 112 -32.489 35.379 27.156 1.00 38.30 H new ATOM 0 HD2 LYS A 112 -33.949 36.774 28.209 1.00 42.66 H new ATOM 0 HD3 LYS A 112 -32.893 37.719 27.558 1.00 42.66 H new ATOM 0 HE2 LYS A 112 -34.996 38.587 27.108 1.00 45.19 H new ATOM 0 HE3 LYS A 112 -34.373 38.125 25.755 1.00 45.19 H new ATOM 0 HZ1 LYS A 112 -36.594 37.379 26.216 1.00 47.63 H new ATOM 0 HZ2 LYS A 112 -35.695 36.364 25.693 1.00 47.63 H new ATOM 0 HZ3 LYS A 112 -35.999 36.403 27.113 1.00 47.63 H new ATOM 846 N ILE A 113 -30.686 34.940 22.538 1.00 26.39 N ATOM 847 CA ILE A 113 -30.036 35.242 21.266 1.00 24.56 C ATOM 848 C ILE A 113 -31.002 35.395 20.100 1.00 25.56 C ATOM 849 O ILE A 113 -31.891 34.570 19.923 1.00 26.59 O ATOM 850 CB ILE A 113 -29.022 34.128 20.889 1.00 23.60 C ATOM 851 CG1 ILE A 113 -27.970 33.983 21.991 1.00 21.68 C ATOM 852 CG2 ILE A 113 -28.356 34.447 19.551 1.00 21.29 C ATOM 853 CD1 ILE A 113 -26.889 32.952 21.689 1.00 15.92 C ATOM 0 H ILE A 113 -31.125 34.201 22.546 1.00 26.39 H new ATOM 0 HA ILE A 113 -29.594 36.094 21.408 1.00 24.56 H new ATOM 0 HB ILE A 113 -29.498 33.287 20.801 1.00 23.60 H new ATOM 0 HG12 ILE A 113 -27.549 34.845 22.138 1.00 21.68 H new ATOM 0 HG13 ILE A 113 -28.414 33.739 22.818 1.00 21.68 H new ATOM 0 HG21 ILE A 113 -27.726 33.744 19.327 1.00 21.29 H new ATOM 0 HG22 ILE A 113 -29.033 34.506 18.859 1.00 21.29 H new ATOM 0 HG23 ILE A 113 -27.886 35.293 19.617 1.00 21.29 H new ATOM 0 HD11 ILE A 113 -26.261 32.915 22.428 1.00 15.92 H new ATOM 0 HD12 ILE A 113 -27.297 32.080 21.569 1.00 15.92 H new ATOM 0 HD13 ILE A 113 -26.419 33.203 20.878 1.00 15.92 H new ATOM 854 N THR A 114 -30.811 36.447 19.304 1.00 23.72 N ATOM 855 CA THR A 114 -31.621 36.695 18.113 1.00 23.83 C ATOM 856 C THR A 114 -30.716 37.321 17.066 1.00 22.88 C ATOM 857 O THR A 114 -29.574 37.651 17.363 1.00 21.04 O ATOM 858 CB THR A 114 -32.780 37.662 18.374 1.00 26.60 C ATOM 859 OG1 THR A 114 -32.264 38.920 18.827 1.00 28.19 O ATOM 860 CG2 THR A 114 -33.719 37.083 19.410 1.00 28.63 C ATOM 0 H THR A 114 -30.204 37.040 19.442 1.00 23.72 H new ATOM 0 HA THR A 114 -32.002 35.850 17.827 1.00 23.83 H new ATOM 0 HB THR A 114 -33.273 37.797 17.549 1.00 26.60 H new ATOM 0 HG1 THR A 114 -32.901 39.450 18.968 1.00 28.19 H new ATOM 0 HG21 THR A 114 -34.449 37.702 19.568 1.00 28.63 H new ATOM 0 HG22 THR A 114 -34.075 36.240 19.089 1.00 28.63 H new ATOM 0 HG23 THR A 114 -33.236 36.935 20.238 1.00 28.63 H new ATOM 861 N ILE A 115 -31.214 37.472 15.844 1.00 25.56 N ATOM 862 CA ILE A 115 -30.421 38.084 14.784 1.00 26.60 C ATOM 863 C ILE A 115 -30.128 39.522 15.200 1.00 26.69 C ATOM 864 O ILE A 115 -31.044 40.295 15.475 1.00 28.47 O ATOM 865 CB ILE A 115 -31.173 38.078 13.424 1.00 26.06 C ATOM 866 CG1 ILE A 115 -31.428 36.639 12.979 1.00 27.91 C ATOM 867 CG2 ILE A 115 -30.346 38.778 12.359 1.00 25.99 C ATOM 868 CD1 ILE A 115 -32.102 36.522 11.617 1.00 29.59 C ATOM 0 H ILE A 115 -32.004 37.228 15.608 1.00 25.56 H new ATOM 0 HA ILE A 115 -29.604 37.576 14.662 1.00 26.60 H new ATOM 0 HB ILE A 115 -32.015 38.545 13.539 1.00 26.06 H new ATOM 0 HG12 ILE A 115 -30.583 36.164 12.953 1.00 27.91 H new ATOM 0 HG13 ILE A 115 -31.981 36.198 13.643 1.00 27.91 H new ATOM 0 HG21 ILE A 115 -30.827 38.767 11.517 1.00 25.99 H new ATOM 0 HG22 ILE A 115 -30.184 39.696 12.626 1.00 25.99 H new ATOM 0 HG23 ILE A 115 -29.498 38.318 12.253 1.00 25.99 H new ATOM 0 HD11 ILE A 115 -32.232 35.586 11.400 1.00 29.59 H new ATOM 0 HD12 ILE A 115 -32.962 36.971 11.642 1.00 29.59 H new ATOM 0 HD13 ILE A 115 -31.541 36.935 10.942 1.00 29.59 H new ATOM 869 N GLY A 116 -28.850 39.871 15.263 1.00 25.22 N ATOM 870 CA GLY A 116 -28.478 41.212 15.665 1.00 24.89 C ATOM 871 C GLY A 116 -27.832 41.230 17.038 1.00 25.55 C ATOM 872 O GLY A 116 -27.193 42.213 17.405 1.00 26.65 O ATOM 0 H GLY A 116 -28.191 39.350 15.079 1.00 25.22 H new ATOM 0 HA2 GLY A 116 -27.864 41.586 15.014 1.00 24.89 H new ATOM 0 HA3 GLY A 116 -29.266 41.778 15.671 1.00 24.89 H new ATOM 873 N THR A 117 -27.991 40.146 17.799 1.00 24.34 N ATOM 874 CA THR A 117 -27.402 40.057 19.139 1.00 22.03 C ATOM 875 C THR A 117 -25.880 40.125 19.049 1.00 21.89 C ATOM 876 O THR A 117 -25.277 39.515 18.168 1.00 21.17 O ATOM 877 CB THR A 117 -27.772 38.734 19.849 1.00 21.51 C ATOM 878 OG1 THR A 117 -29.168 38.723 20.166 1.00 18.87 O ATOM 879 CG2 THR A 117 -26.960 38.573 21.128 1.00 20.38 C ATOM 0 H THR A 117 -28.436 39.451 17.559 1.00 24.34 H new ATOM 0 HA THR A 117 -27.756 40.802 19.649 1.00 22.03 H new ATOM 0 HB THR A 117 -27.571 37.997 19.251 1.00 21.51 H new ATOM 0 HG1 THR A 117 -29.431 39.509 20.300 1.00 18.87 H new ATOM 0 HG21 THR A 117 -27.202 37.740 21.562 1.00 20.38 H new ATOM 0 HG22 THR A 117 -26.014 38.562 20.912 1.00 20.38 H new ATOM 0 HG23 THR A 117 -27.146 39.315 21.725 1.00 20.38 H new ATOM 880 N THR A 118 -25.266 40.867 19.965 1.00 21.60 N ATOM 881 CA THR A 118 -23.816 41.002 19.976 1.00 21.86 C ATOM 882 C THR A 118 -23.201 40.109 21.047 1.00 23.28 C ATOM 883 O THR A 118 -23.833 39.796 22.062 1.00 21.39 O ATOM 884 CB THR A 118 -23.392 42.462 20.242 1.00 21.95 C ATOM 885 OG1 THR A 118 -23.890 42.888 21.513 1.00 20.88 O ATOM 886 CG2 THR A 118 -23.947 43.375 19.163 1.00 22.48 C ATOM 0 H THR A 118 -25.671 41.300 20.588 1.00 21.60 H new ATOM 0 HA THR A 118 -23.496 40.732 19.101 1.00 21.86 H new ATOM 0 HB THR A 118 -22.423 42.508 20.236 1.00 21.95 H new ATOM 0 HG1 THR A 118 -24.004 43.720 21.505 1.00 20.88 H new ATOM 0 HG21 THR A 118 -23.674 44.289 19.340 1.00 22.48 H new ATOM 0 HG22 THR A 118 -23.606 43.098 18.298 1.00 22.48 H new ATOM 0 HG23 THR A 118 -24.916 43.322 19.160 1.00 22.48 H new ATOM 887 N ILE A 119 -21.966 39.683 20.802 1.00 24.60 N ATOM 888 CA ILE A 119 -21.241 38.840 21.746 1.00 23.11 C ATOM 889 C ILE A 119 -19.916 39.526 22.021 1.00 24.69 C ATOM 890 O ILE A 119 -19.000 39.456 21.207 1.00 27.54 O ATOM 891 CB ILE A 119 -20.941 37.454 21.159 1.00 20.49 C ATOM 892 CG1 ILE A 119 -22.229 36.810 20.643 1.00 19.06 C ATOM 893 CG2 ILE A 119 -20.301 36.580 22.217 1.00 21.03 C ATOM 894 CD1 ILE A 119 -21.991 35.502 19.932 1.00 15.91 C ATOM 0 H ILE A 119 -21.527 39.873 20.088 1.00 24.60 H new ATOM 0 HA ILE A 119 -21.779 38.720 22.544 1.00 23.11 H new ATOM 0 HB ILE A 119 -20.326 37.549 20.415 1.00 20.49 H new ATOM 0 HG12 ILE A 119 -22.832 36.662 21.389 1.00 19.06 H new ATOM 0 HG13 ILE A 119 -22.672 37.425 20.038 1.00 19.06 H new ATOM 0 HG21 ILE A 119 -20.113 35.705 21.843 1.00 21.03 H new ATOM 0 HG22 ILE A 119 -19.474 36.988 22.517 1.00 21.03 H new ATOM 0 HG23 ILE A 119 -20.906 36.486 22.969 1.00 21.03 H new ATOM 0 HD11 ILE A 119 -22.838 35.140 19.628 1.00 15.91 H new ATOM 0 HD12 ILE A 119 -21.410 35.649 19.169 1.00 15.91 H new ATOM 0 HD13 ILE A 119 -21.572 34.874 20.541 1.00 15.91 H new ATOM 895 N ASP A 120 -19.818 40.202 23.157 1.00 24.58 N ATOM 896 CA ASP A 120 -18.585 40.899 23.506 1.00 25.37 C ATOM 897 C ASP A 120 -17.589 39.990 24.221 1.00 24.39 C ATOM 898 O ASP A 120 -17.872 39.447 25.285 1.00 24.00 O ATOM 899 CB ASP A 120 -18.885 42.120 24.382 1.00 26.50 C ATOM 900 CG ASP A 120 -19.926 43.032 23.767 1.00 29.55 C ATOM 901 OD1 ASP A 120 -19.790 43.377 22.575 1.00 30.01 O ATOM 902 OD2 ASP A 120 -20.882 43.405 24.475 1.00 33.56 O ATOM 0 H ASP A 120 -20.449 40.271 23.738 1.00 24.58 H new ATOM 0 HA ASP A 120 -18.181 41.187 22.673 1.00 25.37 H new ATOM 0 HB2 ASP A 120 -19.193 41.822 25.252 1.00 26.50 H new ATOM 0 HB3 ASP A 120 -18.066 42.620 24.527 1.00 26.50 H new ATOM 903 N TYR A 121 -16.426 39.820 23.602 1.00 23.06 N ATOM 904 CA TYR A 121 -15.358 39.014 24.154 1.00 22.39 C ATOM 905 C TYR A 121 -14.531 40.026 24.948 1.00 23.95 C ATOM 906 O TYR A 121 -13.922 40.918 24.372 1.00 23.82 O ATOM 907 CB TYR A 121 -14.537 38.389 23.011 1.00 20.83 C ATOM 908 CG TYR A 121 -15.312 37.382 22.157 1.00 21.24 C ATOM 909 CD1 TYR A 121 -15.175 36.002 22.363 1.00 21.04 C ATOM 910 CD2 TYR A 121 -16.213 37.811 21.168 1.00 19.89 C ATOM 911 CE1 TYR A 121 -15.920 35.071 21.606 1.00 19.57 C ATOM 912 CE2 TYR A 121 -16.964 36.891 20.412 1.00 18.68 C ATOM 913 CZ TYR A 121 -16.813 35.525 20.639 1.00 19.88 C ATOM 914 OH TYR A 121 -17.565 34.614 19.926 1.00 20.27 O ATOM 0 H TYR A 121 -16.238 40.175 22.842 1.00 23.06 H new ATOM 0 HA TYR A 121 -15.663 38.275 24.703 1.00 22.39 H new ATOM 0 HB2 TYR A 121 -14.208 39.099 22.437 1.00 20.83 H new ATOM 0 HB3 TYR A 121 -13.760 37.947 23.389 1.00 20.83 H new ATOM 0 HD1 TYR A 121 -14.582 35.694 23.010 1.00 21.04 H new ATOM 0 HD2 TYR A 121 -16.315 38.722 21.009 1.00 19.89 H new ATOM 0 HE1 TYR A 121 -15.815 34.159 21.753 1.00 19.57 H new ATOM 0 HE2 TYR A 121 -17.558 37.194 19.764 1.00 18.68 H new ATOM 0 HH TYR A 121 -17.879 34.985 19.241 1.00 20.27 H new ATOM 915 N LEU A 122 -14.537 39.897 26.271 1.00 25.73 N ATOM 916 CA LEU A 122 -13.810 40.805 27.160 1.00 26.90 C ATOM 917 C LEU A 122 -12.613 40.104 27.792 1.00 28.88 C ATOM 918 O LEU A 122 -12.720 39.498 28.863 1.00 28.01 O ATOM 919 CB LEU A 122 -14.750 41.300 28.252 1.00 27.36 C ATOM 920 CG LEU A 122 -16.070 41.784 27.667 1.00 28.55 C ATOM 921 CD1 LEU A 122 -17.103 41.972 28.768 1.00 30.45 C ATOM 922 CD2 LEU A 122 -15.819 43.062 26.887 1.00 27.39 C ATOM 0 H LEU A 122 -14.966 39.276 26.683 1.00 25.73 H new ATOM 0 HA LEU A 122 -13.484 41.555 26.639 1.00 26.90 H new ATOM 0 HB2 LEU A 122 -14.917 40.585 28.886 1.00 27.36 H new ATOM 0 HB3 LEU A 122 -14.327 42.022 28.743 1.00 27.36 H new ATOM 0 HG LEU A 122 -16.432 41.121 27.059 1.00 28.55 H new ATOM 0 HD11 LEU A 122 -17.937 42.280 28.380 1.00 30.45 H new ATOM 0 HD12 LEU A 122 -17.250 41.127 29.221 1.00 30.45 H new ATOM 0 HD13 LEU A 122 -16.781 42.629 29.405 1.00 30.45 H new ATOM 0 HD21 LEU A 122 -16.654 43.380 26.509 1.00 27.39 H new ATOM 0 HD22 LEU A 122 -15.455 43.737 27.481 1.00 27.39 H new ATOM 0 HD23 LEU A 122 -15.187 42.886 26.172 1.00 27.39 H new ATOM 923 N VAL A 123 -11.472 40.201 27.118 1.00 30.90 N ATOM 924 CA VAL A 123 -10.246 39.564 27.572 1.00 32.99 C ATOM 925 C VAL A 123 -9.450 40.508 28.471 1.00 34.24 C ATOM 926 O VAL A 123 -9.160 40.138 29.632 1.00 33.86 O ATOM 927 CB VAL A 123 -9.389 39.118 26.350 1.00 32.64 C ATOM 928 CG1 VAL A 123 -8.106 38.456 26.811 1.00 33.34 C ATOM 929 CG2 VAL A 123 -10.188 38.150 25.486 1.00 32.09 C ATOM 0 H VAL A 123 -11.389 40.640 26.383 1.00 30.90 H new ATOM 0 HA VAL A 123 -10.479 38.778 28.091 1.00 32.99 H new ATOM 0 HB VAL A 123 -9.161 39.904 25.829 1.00 32.64 H new ATOM 0 HG11 VAL A 123 -7.586 38.185 26.038 1.00 33.34 H new ATOM 0 HG12 VAL A 123 -7.591 39.083 27.343 1.00 33.34 H new ATOM 0 HG13 VAL A 123 -8.319 37.676 27.347 1.00 33.34 H new ATOM 0 HG21 VAL A 123 -9.651 37.875 24.727 1.00 32.09 H new ATOM 0 HG22 VAL A 123 -10.429 37.370 26.011 1.00 32.09 H new ATOM 0 HG23 VAL A 123 -10.994 38.588 25.170 1.00 32.09 H new TER 930 VAL A 123 HETATM 931 N MSE B 5 1.550 17.068 0.951 1.00 37.50 N HETATM 932 CA MSE B 5 1.228 16.658 2.341 1.00 35.18 C HETATM 933 C MSE B 5 0.017 15.733 2.319 1.00 32.42 C HETATM 934 O MSE B 5 -0.914 15.910 1.530 1.00 31.22 O HETATM 935 CB MSE B 5 0.962 17.890 3.212 1.00 40.76 C HETATM 936 CG MSE B 5 1.970 19.022 3.024 1.00 46.29 C HETATM 937 SE MSE B 5 1.381 20.295 1.708 0.90 58.46 SE HETATM 938 CE MSE B 5 2.314 19.568 0.186 1.00 53.88 C HETATM 0 HA MSE B 5 1.982 16.183 2.725 1.00 35.18 H new HETATM 0 HB2 MSE B 5 0.074 18.226 3.016 1.00 40.76 H new HETATM 0 HB3 MSE B 5 0.964 17.621 4.144 1.00 40.76 H new HETATM 0 HG2 MSE B 5 2.110 19.474 3.871 1.00 46.29 H new HETATM 0 HG3 MSE B 5 2.825 18.652 2.755 1.00 46.29 H new HETATM 0 HE1 MSE B 5 2.124 20.107 -0.598 1.00 53.88 H new HETATM 0 HE2 MSE B 5 3.269 19.574 0.358 1.00 53.88 H new HETATM 0 HE3 MSE B 5 2.019 18.657 0.031 1.00 53.88 H new ATOM 939 N GLN B 6 0.044 14.745 3.199 1.00 29.67 N ATOM 940 CA GLN B 6 -1.000 13.744 3.279 1.00 27.45 C ATOM 941 C GLN B 6 -1.719 13.806 4.617 1.00 27.05 C ATOM 942 O GLN B 6 -1.091 14.021 5.655 1.00 26.78 O ATOM 943 CB GLN B 6 -0.358 12.369 3.063 1.00 27.50 C ATOM 944 CG GLN B 6 -1.267 11.172 3.257 1.00 28.64 C ATOM 945 CD GLN B 6 -0.505 9.855 3.145 1.00 29.81 C ATOM 946 OE1 GLN B 6 -0.239 9.365 2.043 1.00 28.22 O ATOM 947 NE2 GLN B 6 -0.134 9.286 4.290 1.00 27.37 N ATOM 0 H GLN B 6 0.676 14.637 3.772 1.00 29.67 H new ATOM 0 HA GLN B 6 -1.667 13.909 2.594 1.00 27.45 H new ATOM 0 HB2 GLN B 6 0.001 12.337 2.162 1.00 27.50 H new ATOM 0 HB3 GLN B 6 0.393 12.284 3.671 1.00 27.50 H new ATOM 0 HG2 GLN B 6 -1.692 11.227 4.127 1.00 28.64 H new ATOM 0 HG3 GLN B 6 -1.975 11.193 2.594 1.00 28.64 H new ATOM 0 HE21 GLN B 6 -0.337 9.656 5.039 1.00 27.37 H new ATOM 0 HE22 GLN B 6 0.309 8.549 4.280 1.00 27.37 H new ATOM 948 N ALA B 7 -3.041 13.628 4.575 1.00 25.77 N ATOM 949 CA ALA B 7 -3.895 13.644 5.764 1.00 23.75 C ATOM 950 C ALA B 7 -4.499 12.246 5.944 1.00 23.15 C ATOM 951 O ALA B 7 -4.563 11.465 4.986 1.00 23.58 O ATOM 952 CB ALA B 7 -4.996 14.689 5.600 1.00 24.01 C ATOM 0 H ALA B 7 -3.473 13.493 3.844 1.00 25.77 H new ATOM 0 HA ALA B 7 -3.375 13.877 6.549 1.00 23.75 H new ATOM 0 HB1 ALA B 7 -5.558 14.694 6.391 1.00 24.01 H new ATOM 0 HB2 ALA B 7 -4.596 15.565 5.482 1.00 24.01 H new ATOM 0 HB3 ALA B 7 -5.535 14.473 4.823 1.00 24.01 H new ATOM 953 N THR B 8 -4.929 11.922 7.162 1.00 21.97 N ATOM 954 CA THR B 8 -5.508 10.609 7.437 1.00 20.94 C ATOM 955 C THR B 8 -6.898 10.705 8.045 1.00 20.85 C ATOM 956 O THR B 8 -7.107 11.464 8.994 1.00 19.57 O ATOM 957 CB THR B 8 -4.642 9.801 8.416 1.00 21.22 C ATOM 958 OG1 THR B 8 -3.315 9.681 7.900 1.00 24.64 O ATOM 959 CG2 THR B 8 -5.227 8.406 8.604 1.00 23.13 C ATOM 0 H THR B 8 -4.894 12.448 7.842 1.00 21.97 H new ATOM 0 HA THR B 8 -5.554 10.166 6.575 1.00 20.94 H new ATOM 0 HB THR B 8 -4.624 10.262 9.269 1.00 21.22 H new ATOM 0 HG1 THR B 8 -2.991 8.941 8.129 1.00 24.64 H new ATOM 0 HG21 THR B 8 -4.674 7.904 9.223 1.00 23.13 H new ATOM 0 HG22 THR B 8 -6.127 8.477 8.959 1.00 23.13 H new ATOM 0 HG23 THR B 8 -5.253 7.948 7.749 1.00 23.13 H new ATOM 960 N VAL B 9 -7.839 9.926 7.508 1.00 21.29 N ATOM 961 CA VAL B 9 -9.217 9.926 8.014 1.00 20.81 C ATOM 962 C VAL B 9 -9.279 9.104 9.299 1.00 23.01 C ATOM 963 O VAL B 9 -8.867 7.943 9.320 1.00 24.80 O ATOM 964 CB VAL B 9 -10.208 9.327 6.973 1.00 19.74 C ATOM 965 CG1 VAL B 9 -11.583 9.120 7.601 1.00 16.22 C ATOM 966 CG2 VAL B 9 -10.329 10.265 5.774 1.00 16.16 C ATOM 0 H VAL B 9 -7.701 9.390 6.850 1.00 21.29 H new ATOM 0 HA VAL B 9 -9.477 10.845 8.185 1.00 20.81 H new ATOM 0 HB VAL B 9 -9.866 8.468 6.679 1.00 19.74 H new ATOM 0 HG11 VAL B 9 -12.188 8.747 6.941 1.00 16.22 H new ATOM 0 HG12 VAL B 9 -11.508 8.510 8.351 1.00 16.22 H new ATOM 0 HG13 VAL B 9 -11.929 9.972 7.911 1.00 16.22 H new ATOM 0 HG21 VAL B 9 -10.947 9.888 5.129 1.00 16.16 H new ATOM 0 HG22 VAL B 9 -10.658 11.128 6.070 1.00 16.16 H new ATOM 0 HG23 VAL B 9 -9.459 10.376 5.361 1.00 16.16 H new ATOM 967 N THR B 10 -9.780 9.704 10.374 1.00 20.95 N ATOM 968 CA THR B 10 -9.870 8.998 11.644 1.00 23.54 C ATOM 969 C THR B 10 -11.306 8.759 12.093 1.00 23.07 C ATOM 970 O THR B 10 -11.552 7.938 12.969 1.00 23.46 O ATOM 971 CB THR B 10 -9.106 9.764 12.771 1.00 24.43 C ATOM 972 OG1 THR B 10 -9.627 11.091 12.895 1.00 26.82 O ATOM 973 CG2 THR B 10 -7.631 9.845 12.453 1.00 27.44 C ATOM 0 H THR B 10 -10.071 10.513 10.388 1.00 20.95 H new ATOM 0 HA THR B 10 -9.456 8.134 11.492 1.00 23.54 H new ATOM 0 HB THR B 10 -9.227 9.281 13.603 1.00 24.43 H new ATOM 0 HG1 THR B 10 -10.023 11.169 13.632 1.00 26.82 H new ATOM 0 HG21 THR B 10 -7.173 10.323 13.162 1.00 27.44 H new ATOM 0 HG22 THR B 10 -7.266 8.949 12.379 1.00 27.44 H new ATOM 0 HG23 THR B 10 -7.506 10.315 11.614 1.00 27.44 H new ATOM 974 N GLU B 11 -12.248 9.478 11.496 1.00 23.29 N ATOM 975 CA GLU B 11 -13.649 9.319 11.851 1.00 24.34 C ATOM 976 C GLU B 11 -14.542 9.742 10.688 1.00 24.31 C ATOM 977 O GLU B 11 -14.187 10.621 9.907 1.00 22.27 O ATOM 978 CB GLU B 11 -13.975 10.156 13.092 1.00 28.81 C ATOM 979 CG GLU B 11 -15.328 9.857 13.719 1.00 32.27 C ATOM 980 CD GLU B 11 -15.574 10.645 14.999 1.00 34.85 C ATOM 981 OE1 GLU B 11 -15.877 11.852 14.929 1.00 36.31 O ATOM 982 OE2 GLU B 11 -15.451 10.050 16.084 1.00 39.51 O ATOM 0 H GLU B 11 -12.096 10.062 10.884 1.00 23.29 H new ATOM 0 HA GLU B 11 -13.815 8.384 12.048 1.00 24.34 H new ATOM 0 HB2 GLU B 11 -13.284 10.010 13.757 1.00 28.81 H new ATOM 0 HB3 GLU B 11 -13.943 11.095 12.852 1.00 28.81 H new ATOM 0 HG2 GLU B 11 -16.028 10.061 13.079 1.00 32.27 H new ATOM 0 HG3 GLU B 11 -15.388 8.908 13.912 1.00 32.27 H new ATOM 983 N ILE B 12 -15.701 9.104 10.577 1.00 23.39 N ATOM 984 CA ILE B 12 -16.648 9.411 9.519 1.00 21.66 C ATOM 985 C ILE B 12 -18.046 9.472 10.133 1.00 22.00 C ATOM 986 O ILE B 12 -18.536 8.483 10.687 1.00 20.34 O ATOM 987 CB ILE B 12 -16.583 8.336 8.397 1.00 20.97 C ATOM 988 CG1 ILE B 12 -15.172 8.296 7.815 1.00 21.65 C ATOM 989 CG2 ILE B 12 -17.562 8.668 7.280 1.00 20.76 C ATOM 990 CD1 ILE B 12 -14.957 7.226 6.786 1.00 22.23 C ATOM 0 H ILE B 12 -15.958 8.482 11.113 1.00 23.39 H new ATOM 0 HA ILE B 12 -16.429 10.265 9.114 1.00 21.66 H new ATOM 0 HB ILE B 12 -16.816 7.476 8.780 1.00 20.97 H new ATOM 0 HG12 ILE B 12 -14.974 9.158 7.416 1.00 21.65 H new ATOM 0 HG13 ILE B 12 -14.539 8.166 8.538 1.00 21.65 H new ATOM 0 HG21 ILE B 12 -17.508 7.988 6.590 1.00 20.76 H new ATOM 0 HG22 ILE B 12 -18.463 8.695 7.637 1.00 20.76 H new ATOM 0 HG23 ILE B 12 -17.339 9.532 6.900 1.00 20.76 H new ATOM 0 HD11 ILE B 12 -14.042 7.264 6.465 1.00 22.23 H new ATOM 0 HD12 ILE B 12 -15.124 6.357 7.183 1.00 22.23 H new ATOM 0 HD13 ILE B 12 -15.565 7.364 6.043 1.00 22.23 H new ATOM 991 N GLY B 13 -18.673 10.645 10.056 1.00 21.34 N ATOM 992 CA GLY B 13 -20.009 10.820 10.606 1.00 22.45 C ATOM 993 C GLY B 13 -21.053 10.034 9.834 1.00 23.60 C ATOM 994 O GLY B 13 -20.884 9.797 8.637 1.00 24.30 O ATOM 0 H GLY B 13 -18.340 11.348 9.690 1.00 21.34 H new ATOM 0 HA2 GLY B 13 -20.015 10.538 11.534 1.00 22.45 H new ATOM 0 HA3 GLY B 13 -20.241 11.762 10.594 1.00 22.45 H new ATOM 995 N LYS B 14 -22.139 9.637 10.492 1.00 24.35 N ATOM 996 CA LYS B 14 -23.152 8.848 9.800 1.00 24.88 C ATOM 997 C LYS B 14 -23.820 9.596 8.667 1.00 24.93 C ATOM 998 O LYS B 14 -24.278 8.975 7.707 1.00 23.91 O ATOM 999 CB LYS B 14 -24.219 8.318 10.764 1.00 27.85 C ATOM 1000 CG LYS B 14 -24.997 9.379 11.499 1.00 33.05 C ATOM 1001 CD LYS B 14 -26.300 8.819 12.060 1.00 35.48 C ATOM 1002 CE LYS B 14 -26.063 7.657 13.001 1.00 36.58 C ATOM 1003 NZ LYS B 14 -27.347 7.125 13.554 1.00 37.29 N ATOM 0 H LYS B 14 -22.306 9.809 11.318 1.00 24.35 H new ATOM 0 HA LYS B 14 -22.671 8.099 9.415 1.00 24.88 H new ATOM 0 HB2 LYS B 14 -24.842 7.767 10.265 1.00 27.85 H new ATOM 0 HB3 LYS B 14 -23.790 7.742 11.415 1.00 27.85 H new ATOM 0 HG2 LYS B 14 -24.458 9.736 12.222 1.00 33.05 H new ATOM 0 HG3 LYS B 14 -25.191 10.116 10.899 1.00 33.05 H new ATOM 0 HD2 LYS B 14 -26.777 9.521 12.529 1.00 35.48 H new ATOM 0 HD3 LYS B 14 -26.868 8.530 11.329 1.00 35.48 H new ATOM 0 HE2 LYS B 14 -25.595 6.949 12.531 1.00 36.58 H new ATOM 0 HE3 LYS B 14 -25.489 7.942 13.730 1.00 36.58 H new ATOM 0 HZ1 LYS B 14 -27.175 6.445 14.102 1.00 37.29 H new ATOM 0 HZ2 LYS B 14 -27.766 7.769 14.003 1.00 37.29 H new ATOM 0 HZ3 LYS B 14 -27.864 6.844 12.886 1.00 37.29 H new ATOM 1004 N HIS B 15 -23.873 10.922 8.764 1.00 23.66 N ATOM 1005 CA HIS B 15 -24.491 11.732 7.715 1.00 23.40 C ATOM 1006 C HIS B 15 -23.423 12.480 6.929 1.00 23.02 C ATOM 1007 O HIS B 15 -23.700 13.522 6.341 1.00 23.83 O ATOM 1008 CB HIS B 15 -25.461 12.756 8.306 1.00 27.07 C ATOM 1009 CG HIS B 15 -26.659 12.151 8.963 1.00 30.87 C ATOM 1010 ND1 HIS B 15 -26.635 11.660 10.250 1.00 32.96 N ATOM 1011 CD2 HIS B 15 -27.919 11.954 8.508 1.00 33.09 C ATOM 1012 CE1 HIS B 15 -27.828 11.187 10.561 1.00 32.50 C ATOM 1013 NE2 HIS B 15 -28.625 11.352 9.521 1.00 35.54 N ATOM 0 H HIS B 15 -23.558 11.372 9.426 1.00 23.66 H new ATOM 0 HA HIS B 15 -24.978 11.129 7.131 1.00 23.40 H new ATOM 0 HB2 HIS B 15 -24.987 13.299 8.955 1.00 27.07 H new ATOM 0 HB3 HIS B 15 -25.757 13.352 7.600 1.00 27.07 H new ATOM 0 HD2 HIS B 15 -28.245 12.183 7.668 1.00 33.09 H new ATOM 0 HE1 HIS B 15 -28.066 10.803 11.374 1.00 32.50 H new ATOM 0 HE2 HIS B 15 -29.452 11.120 9.484 1.00 35.54 H new ATOM 1014 N ALA B 16 -22.211 11.937 6.908 1.00 20.47 N ATOM 1015 CA ALA B 16 -21.108 12.593 6.232 1.00 18.86 C ATOM 1016 C ALA B 16 -20.995 12.272 4.758 1.00 19.84 C ATOM 1017 O ALA B 16 -20.610 13.127 3.966 1.00 18.00 O ATOM 1018 CB ALA B 16 -19.816 12.240 6.927 1.00 18.42 C ATOM 0 H ALA B 16 -22.010 11.188 7.281 1.00 20.47 H new ATOM 0 HA ALA B 16 -21.289 13.545 6.283 1.00 18.86 H new ATOM 0 HB1 ALA B 16 -19.076 12.677 6.477 1.00 18.42 H new ATOM 0 HB2 ALA B 16 -19.853 12.536 7.850 1.00 18.42 H new ATOM 0 HB3 ALA B 16 -19.687 11.279 6.901 1.00 18.42 H new ATOM 1019 N ILE B 17 -21.328 11.041 4.380 1.00 21.04 N ATOM 1020 CA ILE B 17 -21.200 10.640 2.982 1.00 20.54 C ATOM 1021 C ILE B 17 -22.471 10.084 2.364 1.00 21.44 C ATOM 1022 O ILE B 17 -22.933 9.000 2.714 1.00 22.07 O ATOM 1023 CB ILE B 17 -20.075 9.606 2.833 1.00 20.84 C ATOM 1024 CG1 ILE B 17 -18.768 10.211 3.355 1.00 21.61 C ATOM 1025 CG2 ILE B 17 -19.943 9.176 1.379 1.00 19.27 C ATOM 1026 CD1 ILE B 17 -17.580 9.289 3.284 1.00 21.68 C ATOM 0 H ILE B 17 -21.626 10.431 4.908 1.00 21.04 H new ATOM 0 HA ILE B 17 -20.996 11.456 2.498 1.00 20.54 H new ATOM 0 HB ILE B 17 -20.284 8.815 3.354 1.00 20.84 H new ATOM 0 HG12 ILE B 17 -18.571 11.013 2.847 1.00 21.61 H new ATOM 0 HG13 ILE B 17 -18.897 10.484 4.277 1.00 21.61 H new ATOM 0 HG21 ILE B 17 -19.230 8.523 1.298 1.00 19.27 H new ATOM 0 HG22 ILE B 17 -20.777 8.781 1.081 1.00 19.27 H new ATOM 0 HG23 ILE B 17 -19.737 9.949 0.830 1.00 19.27 H new ATOM 0 HD11 ILE B 17 -16.796 9.743 3.631 1.00 21.68 H new ATOM 0 HD12 ILE B 17 -17.754 8.495 3.814 1.00 21.68 H new ATOM 0 HD13 ILE B 17 -17.423 9.033 2.362 1.00 21.68 H new ATOM 1027 N ASP B 18 -23.037 10.847 1.443 1.00 20.80 N ATOM 1028 CA ASP B 18 -24.252 10.441 0.754 1.00 22.45 C ATOM 1029 C ASP B 18 -24.069 10.919 -0.675 1.00 23.02 C ATOM 1030 O ASP B 18 -23.932 12.117 -0.931 1.00 21.05 O ATOM 1031 CB ASP B 18 -25.485 11.082 1.395 1.00 23.13 C ATOM 1032 CG ASP B 18 -26.780 10.582 0.786 1.00 25.90 C ATOM 1033 OD1 ASP B 18 -27.046 10.918 -0.382 1.00 25.97 O ATOM 1034 OD2 ASP B 18 -27.529 9.845 1.468 1.00 28.38 O ATOM 0 H ASP B 18 -22.730 11.612 1.199 1.00 20.80 H new ATOM 0 HA ASP B 18 -24.394 9.483 0.800 1.00 22.45 H new ATOM 0 HB2 ASP B 18 -25.485 10.895 2.347 1.00 23.13 H new ATOM 0 HB3 ASP B 18 -25.434 12.045 1.295 1.00 23.13 H new ATOM 1035 N ASP B 19 -24.036 9.965 -1.601 1.00 23.14 N ATOM 1036 CA ASP B 19 -23.828 10.268 -3.004 1.00 24.43 C ATOM 1037 C ASP B 19 -24.778 11.303 -3.592 1.00 26.54 C ATOM 1038 O ASP B 19 -24.343 12.138 -4.383 1.00 28.15 O ATOM 1039 CB ASP B 19 -23.887 8.991 -3.839 1.00 23.20 C ATOM 1040 CG ASP B 19 -23.464 9.226 -5.265 1.00 25.53 C ATOM 1041 OD1 ASP B 19 -22.372 9.799 -5.456 1.00 25.28 O ATOM 1042 OD2 ASP B 19 -24.210 8.853 -6.194 1.00 24.77 O ATOM 0 H ASP B 19 -24.134 9.128 -1.430 1.00 23.14 H new ATOM 0 HA ASP B 19 -22.945 10.669 -3.042 1.00 24.43 H new ATOM 0 HB2 ASP B 19 -23.314 8.318 -3.440 1.00 23.20 H new ATOM 0 HB3 ASP B 19 -24.791 8.638 -3.825 1.00 23.20 H new ATOM 1043 N SER B 20 -26.057 11.272 -3.221 1.00 26.40 N ATOM 1044 CA SER B 20 -27.001 12.245 -3.774 1.00 32.06 C ATOM 1045 C SER B 20 -26.598 13.663 -3.377 1.00 34.87 C ATOM 1046 O SER B 20 -27.024 14.637 -3.996 1.00 36.31 O ATOM 1047 CB SER B 20 -28.439 11.950 -3.313 1.00 32.64 C ATOM 1048 OG SER B 20 -28.601 12.127 -1.911 1.00 35.78 O ATOM 0 H SER B 20 -26.394 10.710 -2.664 1.00 26.40 H new ATOM 0 HA SER B 20 -26.974 12.170 -4.741 1.00 32.06 H new ATOM 0 HB2 SER B 20 -29.054 12.534 -3.784 1.00 32.64 H new ATOM 0 HB3 SER B 20 -28.673 11.039 -3.552 1.00 32.64 H new ATOM 0 HG SER B 20 -28.220 11.499 -1.503 1.00 35.78 H new ATOM 1049 N GLU B 21 -25.772 13.762 -2.340 1.00 37.13 N ATOM 1050 CA GLU B 21 -25.266 15.035 -1.833 1.00 40.78 C ATOM 1051 C GLU B 21 -23.817 15.047 -2.292 1.00 40.64 C ATOM 1052 O GLU B 21 -22.930 14.662 -1.533 1.00 41.25 O ATOM 1053 CB GLU B 21 -25.290 15.050 -0.296 1.00 46.95 C ATOM 1054 CG GLU B 21 -25.741 16.358 0.314 1.00 55.00 C ATOM 1055 CD GLU B 21 -27.245 16.427 0.474 1.00 58.73 C ATOM 1056 OE1 GLU B 21 -27.757 17.517 0.799 1.00 60.83 O ATOM 1057 OE2 GLU B 21 -27.910 15.385 0.284 1.00 60.29 O ATOM 0 H GLU B 21 -25.484 13.079 -1.903 1.00 37.13 H new ATOM 0 HA GLU B 21 -25.789 15.791 -2.143 1.00 40.78 H new ATOM 0 HB2 GLU B 21 -25.877 14.343 0.013 1.00 46.95 H new ATOM 0 HB3 GLU B 21 -24.401 14.844 0.032 1.00 46.95 H new ATOM 0 HG2 GLU B 21 -25.320 16.471 1.180 1.00 55.00 H new ATOM 0 HG3 GLU B 21 -25.443 17.093 -0.244 1.00 55.00 H new ATOM 1058 N LYS B 22 -23.580 15.456 -3.531 1.00 40.18 N ATOM 1059 CA LYS B 22 -22.228 15.479 -4.073 1.00 39.44 C ATOM 1060 C LYS B 22 -21.342 16.440 -3.280 1.00 38.80 C ATOM 1061 O LYS B 22 -20.697 17.311 -3.854 1.00 38.99 O ATOM 1062 CB LYS B 22 -22.281 15.884 -5.550 1.00 41.08 C ATOM 1063 CG LYS B 22 -22.945 14.851 -6.448 1.00 42.74 C ATOM 1064 CD LYS B 22 -22.061 13.623 -6.595 1.00 45.68 C ATOM 1065 CE LYS B 22 -22.550 12.727 -7.720 1.00 47.38 C ATOM 1066 NZ LYS B 22 -21.640 11.571 -7.971 1.00 47.42 N ATOM 0 H LYS B 22 -24.189 15.725 -4.076 1.00 40.18 H new ATOM 0 HA LYS B 22 -21.841 14.593 -3.999 1.00 39.44 H new ATOM 0 HB2 LYS B 22 -22.760 16.724 -5.629 1.00 41.08 H new ATOM 0 HB3 LYS B 22 -21.377 16.041 -5.866 1.00 41.08 H new ATOM 0 HG2 LYS B 22 -23.803 14.595 -6.075 1.00 42.74 H new ATOM 0 HG3 LYS B 22 -23.118 15.237 -7.321 1.00 42.74 H new ATOM 0 HD2 LYS B 22 -21.147 13.898 -6.771 1.00 45.68 H new ATOM 0 HD3 LYS B 22 -22.052 13.126 -5.762 1.00 45.68 H new ATOM 0 HE2 LYS B 22 -23.436 12.396 -7.503 1.00 47.38 H new ATOM 0 HE3 LYS B 22 -22.634 13.250 -8.532 1.00 47.38 H new ATOM 0 HZ1 LYS B 22 -21.873 11.169 -8.730 1.00 47.42 H new ATOM 0 HZ2 LYS B 22 -20.801 11.862 -8.036 1.00 47.42 H new ATOM 0 HZ3 LYS B 22 -21.702 10.992 -7.298 1.00 47.42 H new HETATM 1067 N MSE B 23 -21.303 16.269 -1.961 1.00 36.79 N HETATM 1068 CA MSE B 23 -20.525 17.152 -1.096 1.00 36.83 C HETATM 1069 C MSE B 23 -20.068 16.434 0.176 1.00 31.79 C HETATM 1070 O MSE B 23 -20.841 15.725 0.802 1.00 30.08 O HETATM 1071 CB MSE B 23 -21.383 18.378 -0.743 1.00 46.04 C HETATM 1072 CG MSE B 23 -20.701 19.443 0.106 1.00 60.48 C HETATM 1073 SE MSE B 23 -21.823 20.991 0.391 1.00 79.51 SE HETATM 1074 CE MSE B 23 -22.236 20.610 2.237 1.00 70.07 C HETATM 0 H MSE B 23 -21.723 15.644 -1.545 1.00 36.79 H new HETATM 0 HA MSE B 23 -19.725 17.431 -1.569 1.00 36.83 H new HETATM 0 HB2 MSE B 23 -21.683 18.790 -1.568 1.00 46.04 H new HETATM 0 HB3 MSE B 23 -22.175 18.073 -0.274 1.00 46.04 H new HETATM 0 HG2 MSE B 23 -20.457 19.062 0.964 1.00 60.48 H new HETATM 0 HG3 MSE B 23 -19.878 19.719 -0.326 1.00 60.48 H new HETATM 0 HE1 MSE B 23 -22.818 21.302 2.588 1.00 70.07 H new HETATM 0 HE2 MSE B 23 -22.682 19.751 2.298 1.00 70.07 H new HETATM 0 HE3 MSE B 23 -21.416 20.585 2.754 1.00 70.07 H new ATOM 1075 N ILE B 24 -18.805 16.595 0.547 1.00 25.70 N ATOM 1076 CA ILE B 24 -18.298 15.967 1.759 1.00 21.56 C ATOM 1077 C ILE B 24 -17.572 17.034 2.562 1.00 19.77 C ATOM 1078 O ILE B 24 -16.666 17.692 2.052 1.00 17.97 O ATOM 1079 CB ILE B 24 -17.304 14.841 1.450 1.00 20.87 C ATOM 1080 CG1 ILE B 24 -18.001 13.720 0.708 1.00 19.45 C ATOM 1081 CG2 ILE B 24 -16.688 14.294 2.741 1.00 17.77 C ATOM 1082 CD1 ILE B 24 -17.070 12.556 0.462 1.00 19.44 C ATOM 0 H ILE B 24 -18.227 17.062 0.113 1.00 25.70 H new ATOM 0 HA ILE B 24 -19.045 15.584 2.245 1.00 21.56 H new ATOM 0 HB ILE B 24 -16.597 15.205 0.895 1.00 20.87 H new ATOM 0 HG12 ILE B 24 -18.768 13.420 1.220 1.00 19.45 H new ATOM 0 HG13 ILE B 24 -18.337 14.051 -0.139 1.00 19.45 H new ATOM 0 HG21 ILE B 24 -16.063 13.584 2.526 1.00 17.77 H new ATOM 0 HG22 ILE B 24 -16.220 15.007 3.204 1.00 17.77 H new ATOM 0 HG23 ILE B 24 -17.390 13.944 3.312 1.00 17.77 H new ATOM 0 HD11 ILE B 24 -17.545 11.857 -0.014 1.00 19.44 H new ATOM 0 HD12 ILE B 24 -16.315 12.852 -0.069 1.00 19.44 H new ATOM 0 HD13 ILE B 24 -16.752 12.211 1.311 1.00 19.44 H new ATOM 1083 N ILE B 25 -17.975 17.195 3.817 1.00 17.79 N ATOM 1084 CA ILE B 25 -17.370 18.175 4.696 1.00 15.93 C ATOM 1085 C ILE B 25 -16.211 17.563 5.467 1.00 16.22 C ATOM 1086 O ILE B 25 -16.334 16.485 6.055 1.00 15.92 O ATOM 1087 CB ILE B 25 -18.394 18.702 5.718 1.00 16.79 C ATOM 1088 CG1 ILE B 25 -19.632 19.256 4.998 1.00 18.07 C ATOM 1089 CG2 ILE B 25 -17.739 19.756 6.584 1.00 15.77 C ATOM 1090 CD1 ILE B 25 -20.794 19.631 5.915 1.00 16.25 C ATOM 0 H ILE B 25 -18.607 16.738 4.179 1.00 17.79 H new ATOM 0 HA ILE B 25 -17.053 18.903 4.139 1.00 15.93 H new ATOM 0 HB ILE B 25 -18.691 17.975 6.288 1.00 16.79 H new ATOM 0 HG12 ILE B 25 -19.371 20.041 4.491 1.00 18.07 H new ATOM 0 HG13 ILE B 25 -19.941 18.595 4.359 1.00 18.07 H new ATOM 0 HG21 ILE B 25 -18.382 20.090 7.229 1.00 15.77 H new ATOM 0 HG22 ILE B 25 -16.984 19.367 7.052 1.00 15.77 H new ATOM 0 HG23 ILE B 25 -17.431 20.488 6.026 1.00 15.77 H new ATOM 0 HD11 ILE B 25 -21.530 19.970 5.382 1.00 16.25 H new ATOM 0 HD12 ILE B 25 -21.085 18.847 6.406 1.00 16.25 H new ATOM 0 HD13 ILE B 25 -20.506 20.315 6.540 1.00 16.25 H new ATOM 1091 N LEU B 26 -15.081 18.255 5.447 1.00 15.40 N ATOM 1092 CA LEU B 26 -13.903 17.814 6.168 1.00 14.91 C ATOM 1093 C LEU B 26 -13.805 18.662 7.430 1.00 15.06 C ATOM 1094 O LEU B 26 -14.122 19.858 7.414 1.00 16.03 O ATOM 1095 CB LEU B 26 -12.643 18.007 5.323 1.00 15.21 C ATOM 1096 CG LEU B 26 -12.518 17.207 4.029 1.00 14.62 C ATOM 1097 CD1 LEU B 26 -11.170 17.498 3.373 1.00 13.31 C ATOM 1098 CD2 LEU B 26 -12.646 15.727 4.348 1.00 15.90 C ATOM 0 H LEU B 26 -14.977 18.992 5.015 1.00 15.40 H new ATOM 0 HA LEU B 26 -13.975 16.870 6.380 1.00 14.91 H new ATOM 0 HB2 LEU B 26 -12.578 18.948 5.098 1.00 15.21 H new ATOM 0 HB3 LEU B 26 -11.877 17.794 5.879 1.00 15.21 H new ATOM 0 HG LEU B 26 -13.222 17.462 3.412 1.00 14.62 H new ATOM 0 HD11 LEU B 26 -11.093 16.989 2.551 1.00 13.31 H new ATOM 0 HD12 LEU B 26 -11.105 18.445 3.173 1.00 13.31 H new ATOM 0 HD13 LEU B 26 -10.455 17.246 3.977 1.00 13.31 H new ATOM 0 HD21 LEU B 26 -12.568 15.212 3.530 1.00 15.90 H new ATOM 0 HD22 LEU B 26 -11.942 15.466 4.963 1.00 15.90 H new ATOM 0 HD23 LEU B 26 -13.510 15.557 4.755 1.00 15.90 H new ATOM 1099 N PHE B 27 -13.373 18.031 8.516 1.00 14.81 N ATOM 1100 CA PHE B 27 -13.213 18.699 9.801 1.00 16.06 C ATOM 1101 C PHE B 27 -12.047 18.068 10.534 1.00 18.30 C ATOM 1102 O PHE B 27 -11.651 16.936 10.236 1.00 18.14 O ATOM 1103 CB PHE B 27 -14.470 18.517 10.678 1.00 18.24 C ATOM 1104 CG PHE B 27 -15.369 19.721 10.734 1.00 16.87 C ATOM 1105 CD1 PHE B 27 -16.726 19.601 10.471 1.00 15.37 C ATOM 1106 CD2 PHE B 27 -14.858 20.977 11.044 1.00 15.48 C ATOM 1107 CE1 PHE B 27 -17.560 20.720 10.513 1.00 15.64 C ATOM 1108 CE2 PHE B 27 -15.688 22.094 11.088 1.00 15.91 C ATOM 1109 CZ PHE B 27 -17.039 21.963 10.821 1.00 15.94 C ATOM 0 H PHE B 27 -13.163 17.197 8.528 1.00 14.81 H new ATOM 0 HA PHE B 27 -13.066 19.644 9.639 1.00 16.06 H new ATOM 0 HB2 PHE B 27 -14.979 17.763 10.342 1.00 18.24 H new ATOM 0 HB3 PHE B 27 -14.192 18.293 11.580 1.00 18.24 H new ATOM 0 HD1 PHE B 27 -17.083 18.768 10.265 1.00 15.37 H new ATOM 0 HD2 PHE B 27 -13.951 21.072 11.224 1.00 15.48 H new ATOM 0 HE1 PHE B 27 -18.468 20.629 10.333 1.00 15.64 H new ATOM 0 HE2 PHE B 27 -15.334 22.928 11.297 1.00 15.91 H new ATOM 0 HZ PHE B 27 -17.595 22.708 10.849 1.00 15.94 H new ATOM 1110 N GLY B 28 -11.497 18.810 11.490 1.00 17.49 N ATOM 1111 CA GLY B 28 -10.435 18.278 12.319 1.00 20.73 C ATOM 1112 C GLY B 28 -11.156 17.681 13.522 1.00 20.89 C ATOM 1113 O GLY B 28 -12.359 17.871 13.683 1.00 19.71 O ATOM 0 H GLY B 28 -11.726 19.619 11.670 1.00 17.49 H new ATOM 0 HA2 GLY B 28 -9.920 17.606 11.846 1.00 20.73 H new ATOM 0 HA3 GLY B 28 -9.814 18.973 12.588 1.00 20.73 H new ATOM 1114 N GLU B 29 -10.438 16.980 14.382 1.00 22.77 N ATOM 1115 CA GLU B 29 -11.063 16.358 15.537 1.00 24.54 C ATOM 1116 C GLU B 29 -11.737 17.260 16.567 1.00 24.20 C ATOM 1117 O GLU B 29 -12.739 16.866 17.168 1.00 26.62 O ATOM 1118 CB GLU B 29 -10.049 15.510 16.277 1.00 28.12 C ATOM 1119 CG GLU B 29 -9.774 14.187 15.666 1.00 34.04 C ATOM 1120 CD GLU B 29 -8.736 13.452 16.465 1.00 37.82 C ATOM 1121 OE1 GLU B 29 -8.935 13.333 17.692 1.00 36.32 O ATOM 1122 OE2 GLU B 29 -7.729 13.007 15.869 1.00 41.26 O ATOM 0 H GLU B 29 -9.590 16.852 14.317 1.00 22.77 H new ATOM 0 HA GLU B 29 -11.786 15.853 15.132 1.00 24.54 H new ATOM 0 HB2 GLU B 29 -9.216 16.004 16.336 1.00 28.12 H new ATOM 0 HB3 GLU B 29 -10.363 15.373 17.185 1.00 28.12 H new ATOM 0 HG2 GLU B 29 -10.591 13.665 15.627 1.00 34.04 H new ATOM 0 HG3 GLU B 29 -9.467 14.302 14.753 1.00 34.04 H new ATOM 1123 N THR B 30 -11.198 18.450 16.794 1.00 23.35 N ATOM 1124 CA THR B 30 -11.776 19.320 17.811 1.00 23.79 C ATOM 1125 C THR B 30 -13.080 20.021 17.448 1.00 23.56 C ATOM 1126 O THR B 30 -13.598 20.805 18.232 1.00 24.38 O ATOM 1127 CB THR B 30 -10.758 20.371 18.299 1.00 25.46 C ATOM 1128 OG1 THR B 30 -10.554 21.362 17.289 1.00 23.62 O ATOM 1129 CG2 THR B 30 -9.428 19.696 18.615 1.00 25.36 C ATOM 0 H THR B 30 -10.514 18.768 16.382 1.00 23.35 H new ATOM 0 HA THR B 30 -12.006 18.698 18.519 1.00 23.79 H new ATOM 0 HB THR B 30 -11.106 20.794 19.099 1.00 25.46 H new ATOM 0 HG1 THR B 30 -10.055 21.052 16.688 1.00 23.62 H new ATOM 0 HG21 THR B 30 -8.792 20.361 18.921 1.00 25.36 H new ATOM 0 HG22 THR B 30 -9.559 19.031 19.309 1.00 25.36 H new ATOM 0 HG23 THR B 30 -9.085 19.266 17.816 1.00 25.36 H new ATOM 1130 N ALA B 31 -13.614 19.742 16.266 1.00 23.61 N ATOM 1131 CA ALA B 31 -14.884 20.328 15.865 1.00 22.76 C ATOM 1132 C ALA B 31 -15.949 19.719 16.788 1.00 23.19 C ATOM 1133 O ALA B 31 -15.839 18.560 17.185 1.00 23.54 O ATOM 1134 CB ALA B 31 -15.171 19.982 14.425 1.00 21.71 C ATOM 0 H ALA B 31 -13.259 19.218 15.684 1.00 23.61 H new ATOM 0 HA ALA B 31 -14.874 21.295 15.938 1.00 22.76 H new ATOM 0 HB1 ALA B 31 -16.018 20.374 14.160 1.00 21.71 H new ATOM 0 HB2 ALA B 31 -14.463 20.331 13.861 1.00 21.71 H new ATOM 0 HB3 ALA B 31 -15.216 19.018 14.326 1.00 21.71 H new ATOM 1135 N THR B 32 -16.972 20.489 17.140 1.00 23.13 N ATOM 1136 CA THR B 32 -18.015 19.982 18.037 1.00 23.74 C ATOM 1137 C THR B 32 -18.603 18.654 17.553 1.00 25.68 C ATOM 1138 O THR B 32 -18.769 18.451 16.348 1.00 25.66 O ATOM 1139 CB THR B 32 -19.165 21.000 18.188 1.00 22.09 C ATOM 1140 OG1 THR B 32 -18.639 22.281 18.575 1.00 19.35 O ATOM 1141 CG2 THR B 32 -20.147 20.518 19.249 1.00 17.07 C ATOM 0 H THR B 32 -17.084 21.300 16.876 1.00 23.13 H new ATOM 0 HA THR B 32 -17.584 19.840 18.894 1.00 23.74 H new ATOM 0 HB THR B 32 -19.623 21.083 17.337 1.00 22.09 H new ATOM 0 HG1 THR B 32 -18.557 22.310 19.410 1.00 19.35 H new ATOM 0 HG21 THR B 32 -20.867 21.161 19.340 1.00 17.07 H new ATOM 0 HG22 THR B 32 -20.513 19.659 18.986 1.00 17.07 H new ATOM 0 HG23 THR B 32 -19.687 20.426 20.098 1.00 17.07 H new ATOM 1142 N ASP B 33 -18.926 17.764 18.492 1.00 26.24 N ATOM 1143 CA ASP B 33 -19.496 16.450 18.164 1.00 27.98 C ATOM 1144 C ASP B 33 -20.693 16.490 17.212 1.00 26.47 C ATOM 1145 O ASP B 33 -20.801 15.666 16.292 1.00 26.07 O ATOM 1146 CB ASP B 33 -19.932 15.707 19.436 1.00 35.19 C ATOM 1147 CG ASP B 33 -18.821 14.869 20.043 1.00 40.77 C ATOM 1148 OD1 ASP B 33 -18.162 14.120 19.293 1.00 45.94 O ATOM 1149 OD2 ASP B 33 -18.620 14.949 21.273 1.00 43.62 O ATOM 0 H ASP B 33 -18.822 17.902 19.335 1.00 26.24 H new ATOM 0 HA ASP B 33 -18.776 15.986 17.709 1.00 27.98 H new ATOM 0 HB2 ASP B 33 -20.239 16.352 20.092 1.00 35.19 H new ATOM 0 HB3 ASP B 33 -20.686 15.133 19.227 1.00 35.19 H new ATOM 1150 N THR B 34 -21.601 17.434 17.443 1.00 23.08 N ATOM 1151 CA THR B 34 -22.799 17.566 16.613 1.00 21.41 C ATOM 1152 C THR B 34 -22.462 17.817 15.156 1.00 19.66 C ATOM 1153 O THR B 34 -23.150 17.337 14.257 1.00 20.04 O ATOM 1154 CB THR B 34 -23.677 18.703 17.114 1.00 20.36 C ATOM 1155 OG1 THR B 34 -23.817 18.575 18.529 1.00 24.07 O ATOM 1156 CG2 THR B 34 -25.044 18.629 16.493 1.00 19.09 C ATOM 0 H THR B 34 -21.543 18.011 18.078 1.00 23.08 H new ATOM 0 HA THR B 34 -23.274 16.723 16.679 1.00 21.41 H new ATOM 0 HB THR B 34 -23.266 19.549 16.877 1.00 20.36 H new ATOM 0 HG1 THR B 34 -23.270 19.085 18.912 1.00 24.07 H new ATOM 0 HG21 THR B 34 -25.590 19.360 16.823 1.00 19.09 H new ATOM 0 HG22 THR B 34 -24.965 18.695 15.528 1.00 19.09 H new ATOM 0 HG23 THR B 34 -25.460 17.785 16.726 1.00 19.09 H new ATOM 1157 N LEU B 35 -21.400 18.576 14.927 1.00 18.84 N ATOM 1158 CA LEU B 35 -20.984 18.878 13.571 1.00 19.52 C ATOM 1159 C LEU B 35 -20.297 17.686 12.915 1.00 19.41 C ATOM 1160 O LEU B 35 -20.560 17.382 11.752 1.00 19.80 O ATOM 1161 CB LEU B 35 -20.052 20.090 13.558 1.00 18.97 C ATOM 1162 CG LEU B 35 -20.612 21.409 14.102 1.00 18.16 C ATOM 1163 CD1 LEU B 35 -19.561 22.504 13.936 1.00 18.55 C ATOM 1164 CD2 LEU B 35 -21.891 21.781 13.371 1.00 19.18 C ATOM 0 H LEU B 35 -20.909 18.924 15.542 1.00 18.84 H new ATOM 0 HA LEU B 35 -21.782 19.082 13.059 1.00 19.52 H new ATOM 0 HB2 LEU B 35 -19.260 19.866 14.070 1.00 18.97 H new ATOM 0 HB3 LEU B 35 -19.765 20.239 12.643 1.00 18.97 H new ATOM 0 HG LEU B 35 -20.823 21.308 15.043 1.00 18.16 H new ATOM 0 HD11 LEU B 35 -19.909 23.342 14.279 1.00 18.55 H new ATOM 0 HD12 LEU B 35 -18.761 22.262 14.428 1.00 18.55 H new ATOM 0 HD13 LEU B 35 -19.344 22.605 12.996 1.00 18.55 H new ATOM 0 HD21 LEU B 35 -22.235 22.616 13.724 1.00 19.18 H new ATOM 0 HD22 LEU B 35 -21.705 21.883 12.424 1.00 19.18 H new ATOM 0 HD23 LEU B 35 -22.551 21.081 13.497 1.00 19.18 H new ATOM 1165 N LYS B 36 -19.442 16.993 13.662 1.00 19.31 N ATOM 1166 CA LYS B 36 -18.712 15.847 13.115 1.00 19.60 C ATOM 1167 C LYS B 36 -19.593 14.716 12.584 1.00 20.59 C ATOM 1168 O LYS B 36 -19.121 13.853 11.847 1.00 21.01 O ATOM 1169 CB LYS B 36 -17.693 15.309 14.135 1.00 19.11 C ATOM 1170 CG LYS B 36 -16.570 16.297 14.415 1.00 18.69 C ATOM 1171 CD LYS B 36 -15.392 15.659 15.115 1.00 21.46 C ATOM 1172 CE LYS B 36 -15.764 15.191 16.504 1.00 20.09 C ATOM 1173 NZ LYS B 36 -14.562 14.656 17.194 1.00 20.05 N ATOM 0 H LYS B 36 -19.269 17.168 14.486 1.00 19.31 H new ATOM 0 HA LYS B 36 -18.247 16.193 12.338 1.00 19.60 H new ATOM 0 HB2 LYS B 36 -18.150 15.100 14.965 1.00 19.11 H new ATOM 0 HB3 LYS B 36 -17.315 14.480 13.803 1.00 19.11 H new ATOM 0 HG2 LYS B 36 -16.272 16.687 13.579 1.00 18.69 H new ATOM 0 HG3 LYS B 36 -16.911 17.023 14.961 1.00 18.69 H new ATOM 0 HD2 LYS B 36 -15.072 14.907 14.593 1.00 21.46 H new ATOM 0 HD3 LYS B 36 -14.663 16.296 15.171 1.00 21.46 H new ATOM 0 HE2 LYS B 36 -16.138 15.927 17.013 1.00 20.09 H new ATOM 0 HE3 LYS B 36 -16.448 14.506 16.451 1.00 20.09 H new ATOM 0 HZ1 LYS B 36 -14.776 14.422 18.026 1.00 20.05 H new ATOM 0 HZ2 LYS B 36 -14.260 13.944 16.754 1.00 20.05 H new ATOM 0 HZ3 LYS B 36 -13.929 15.281 17.216 1.00 20.05 H new ATOM 1174 N AGLN B 37 -20.870 14.711 12.950 0.50 20.51 N ATOM 1175 N BGLN B 37 -20.868 14.730 12.949 0.50 20.90 N ATOM 1176 CA AGLN B 37 -21.759 13.670 12.451 0.50 21.87 C ATOM 1177 CA BGLN B 37 -21.787 13.713 12.466 0.50 22.55 C ATOM 1178 C AGLN B 37 -22.021 13.925 10.966 0.50 21.33 C ATOM 1179 C BGLN B 37 -22.038 13.936 10.981 0.50 21.71 C ATOM 1180 O AGLN B 37 -22.409 13.014 10.227 0.50 22.84 O ATOM 1181 O BGLN B 37 -22.437 13.015 10.259 0.50 23.14 O ATOM 1182 CB AGLN B 37 -23.090 13.662 13.210 0.50 22.48 C ATOM 1183 CB BGLN B 37 -23.112 13.797 13.210 0.50 24.05 C ATOM 1184 CG AGLN B 37 -23.884 14.944 13.080 0.50 23.29 C ATOM 1185 CG BGLN B 37 -23.050 13.267 14.618 0.50 26.26 C ATOM 1186 CD AGLN B 37 -25.308 14.808 13.582 0.50 23.88 C ATOM 1187 CD BGLN B 37 -24.390 13.341 15.305 0.50 28.50 C ATOM 1188 OE1AGLN B 37 -25.965 15.804 13.887 0.50 23.52 O ATOM 1189 OE1BGLN B 37 -25.436 13.234 14.661 0.50 29.11 O ATOM 1190 NE2AGLN B 37 -25.800 13.577 13.648 0.50 21.62 N ATOM 1191 NE2BGLN B 37 -24.371 13.510 16.621 0.50 29.50 N ATOM 0 H AGLN B 37 -21.235 15.287 13.474 0.50 20.90 H new ATOM 0 H BGLN B 37 -21.218 15.316 13.472 0.50 20.90 H new ATOM 0 HA AGLN B 37 -21.336 12.807 12.582 0.50 22.55 H new ATOM 0 HA BGLN B 37 -21.396 12.838 12.616 0.50 22.55 H new ATOM 0 HB2AGLN B 37 -23.631 12.924 12.887 0.50 24.05 H new ATOM 0 HB2BGLN B 37 -23.402 14.722 13.234 0.50 24.05 H new ATOM 0 HB3AGLN B 37 -22.914 13.496 14.149 0.50 24.05 H new ATOM 0 HB3BGLN B 37 -23.783 13.301 12.716 0.50 24.05 H new ATOM 0 HG2AGLN B 37 -23.437 15.648 13.576 0.50 26.26 H new ATOM 0 HG2BGLN B 37 -22.744 12.346 14.604 0.50 26.26 H new ATOM 0 HG3AGLN B 37 -23.898 15.217 12.149 0.50 26.26 H new ATOM 0 HG3BGLN B 37 -22.398 13.774 15.126 0.50 26.26 H new ATOM 0 HE21AGLN B 37 -25.310 12.906 13.426 0.50 29.50 H new ATOM 0 HE21BGLN B 37 -23.620 13.581 17.035 0.50 29.50 H new ATOM 0 HE22AGLN B 37 -26.609 13.451 13.912 0.50 29.50 H new ATOM 0 HE22BGLN B 37 -25.109 13.549 17.060 0.50 29.50 H new ATOM 1192 N HIS B 38 -21.796 15.162 10.531 1.00 19.58 N ATOM 1193 CA HIS B 38 -22.008 15.535 9.137 1.00 17.71 C ATOM 1194 C HIS B 38 -20.720 15.602 8.341 1.00 18.67 C ATOM 1195 O HIS B 38 -20.722 16.116 7.227 1.00 17.41 O ATOM 1196 CB HIS B 38 -22.663 16.906 9.062 1.00 19.17 C ATOM 1197 CG HIS B 38 -24.039 16.952 9.642 1.00 22.20 C ATOM 1198 ND1 HIS B 38 -25.128 16.394 9.010 1.00 23.77 N ATOM 1199 CD2 HIS B 38 -24.503 17.483 10.798 1.00 24.50 C ATOM 1200 CE1 HIS B 38 -26.205 16.578 9.753 1.00 25.99 C ATOM 1201 NE2 HIS B 38 -25.853 17.236 10.843 1.00 24.50 N ATOM 0 H AHIS B 38 -21.518 15.804 11.032 0.50 19.58 H new ATOM 0 H BHIS B 38 -21.504 15.802 11.026 0.50 19.58 H new ATOM 0 HA HIS B 38 -22.573 14.845 8.756 1.00 17.71 H new ATOM 0 HB2 HIS B 38 -22.104 17.548 9.527 1.00 19.17 H new ATOM 0 HB3 HIS B 38 -22.703 17.185 8.134 1.00 19.17 H new ATOM 0 HD1 HIS B 38 -25.110 15.990 8.251 1.00 23.77 H new ATOM 0 HD2 HIS B 38 -24.002 17.931 11.441 1.00 24.50 H new ATOM 0 HE1 HIS B 38 -27.065 16.293 9.544 1.00 25.99 H new ATOM 1202 N ALA B 39 -19.627 15.075 8.878 1.00 18.15 N ATOM 1203 CA ALA B 39 -18.361 15.176 8.162 1.00 18.36 C ATOM 1204 C ALA B 39 -17.419 13.992 8.284 1.00 18.11 C ATOM 1205 O ALA B 39 -17.643 13.057 9.052 1.00 16.84 O ATOM 1206 CB ALA B 39 -17.627 16.438 8.629 1.00 19.74 C ATOM 0 H ALA B 39 -19.594 14.666 9.634 1.00 18.15 H new ATOM 0 HA ALA B 39 -18.608 15.204 7.224 1.00 18.36 H new ATOM 0 HB1 ALA B 39 -16.782 16.514 8.158 1.00 19.74 H new ATOM 0 HB2 ALA B 39 -18.173 17.218 8.442 1.00 19.74 H new ATOM 0 HB3 ALA B 39 -17.461 16.382 9.583 1.00 19.74 H new ATOM 1207 N VAL B 40 -16.355 14.061 7.497 1.00 17.74 N ATOM 1208 CA VAL B 40 -15.296 13.077 7.521 1.00 16.23 C ATOM 1209 C VAL B 40 -14.222 13.789 8.342 1.00 18.64 C ATOM 1210 O VAL B 40 -13.943 14.973 8.127 1.00 16.26 O ATOM 1211 CB VAL B 40 -14.793 12.786 6.116 1.00 16.59 C ATOM 1212 CG1 VAL B 40 -13.559 11.906 6.176 1.00 17.21 C ATOM 1213 CG2 VAL B 40 -15.898 12.109 5.325 1.00 16.58 C ATOM 0 H VAL B 40 -16.230 14.692 6.926 1.00 17.74 H new ATOM 0 HA VAL B 40 -15.567 12.219 7.883 1.00 16.23 H new ATOM 0 HB VAL B 40 -14.549 13.615 5.676 1.00 16.59 H new ATOM 0 HG11 VAL B 40 -13.246 11.726 5.276 1.00 17.21 H new ATOM 0 HG12 VAL B 40 -12.862 12.359 6.676 1.00 17.21 H new ATOM 0 HG13 VAL B 40 -13.779 11.069 6.615 1.00 17.21 H new ATOM 0 HG21 VAL B 40 -15.584 11.920 4.427 1.00 16.58 H new ATOM 0 HG22 VAL B 40 -16.147 11.279 5.761 1.00 16.58 H new ATOM 0 HG23 VAL B 40 -16.670 12.695 5.281 1.00 16.58 H new ATOM 1214 N ILE B 41 -13.639 13.081 9.302 1.00 19.35 N ATOM 1215 CA ILE B 41 -12.632 13.678 10.169 1.00 17.77 C ATOM 1216 C ILE B 41 -11.225 13.323 9.733 1.00 18.19 C ATOM 1217 O ILE B 41 -10.885 12.153 9.579 1.00 19.00 O ATOM 1218 CB ILE B 41 -12.865 13.251 11.634 1.00 14.40 C ATOM 1219 CG1 ILE B 41 -14.312 13.567 12.023 1.00 13.02 C ATOM 1220 CG2 ILE B 41 -11.881 13.956 12.566 1.00 13.40 C ATOM 1221 CD1 ILE B 41 -14.803 14.962 11.597 1.00 13.26 C ATOM 0 H ILE B 41 -13.812 12.255 9.468 1.00 19.35 H new ATOM 0 HA ILE B 41 -12.722 14.641 10.100 1.00 17.77 H new ATOM 0 HB ILE B 41 -12.714 12.297 11.720 1.00 14.40 H new ATOM 0 HG12 ILE B 41 -14.893 12.898 11.628 1.00 13.02 H new ATOM 0 HG13 ILE B 41 -14.400 13.487 12.986 1.00 13.02 H new ATOM 0 HG21 ILE B 41 -12.043 13.675 13.480 1.00 13.40 H new ATOM 0 HG22 ILE B 41 -10.973 13.725 12.313 1.00 13.40 H new ATOM 0 HG23 ILE B 41 -12.001 14.916 12.497 1.00 13.40 H new ATOM 0 HD11 ILE B 41 -15.723 15.082 11.880 1.00 13.26 H new ATOM 0 HD12 ILE B 41 -14.247 15.641 12.010 1.00 13.26 H new ATOM 0 HD13 ILE B 41 -14.748 15.044 10.632 1.00 13.26 H new ATOM 1222 N GLN B 42 -10.404 14.349 9.539 1.00 18.55 N ATOM 1223 CA GLN B 42 -9.038 14.132 9.096 1.00 18.90 C ATOM 1224 C GLN B 42 -7.963 14.655 10.052 1.00 21.04 C ATOM 1225 O GLN B 42 -8.135 15.657 10.755 1.00 18.47 O ATOM 1226 CB GLN B 42 -8.835 14.766 7.716 1.00 18.67 C ATOM 1227 CG GLN B 42 -8.685 16.283 7.733 1.00 19.38 C ATOM 1228 CD GLN B 42 -8.468 16.878 6.345 1.00 20.40 C ATOM 1229 OE1 GLN B 42 -7.914 16.227 5.454 1.00 17.42 O ATOM 1230 NE2 GLN B 42 -8.891 18.127 6.163 1.00 18.50 N ATOM 0 H GLN B 42 -10.619 15.173 9.658 1.00 18.55 H new ATOM 0 HA GLN B 42 -8.925 13.169 9.065 1.00 18.90 H new ATOM 0 HB2 GLN B 42 -8.045 14.379 7.308 1.00 18.67 H new ATOM 0 HB3 GLN B 42 -9.589 14.533 7.152 1.00 18.67 H new ATOM 0 HG2 GLN B 42 -9.479 16.677 8.127 1.00 19.38 H new ATOM 0 HG3 GLN B 42 -7.937 16.522 8.302 1.00 19.38 H new ATOM 0 HE21 GLN B 42 -9.273 18.550 6.807 1.00 18.50 H new ATOM 0 HE22 GLN B 42 -8.782 18.511 5.401 1.00 18.50 H new ATOM 1231 N SER B 43 -6.855 13.926 10.072 1.00 24.10 N ATOM 1232 CA SER B 43 -5.684 14.276 10.851 1.00 23.32 C ATOM 1233 C SER B 43 -4.754 14.706 9.731 1.00 22.83 C ATOM 1234 O SER B 43 -4.323 13.875 8.927 1.00 21.24 O ATOM 1235 CB SER B 43 -5.119 13.046 11.560 1.00 24.15 C ATOM 1236 OG SER B 43 -3.814 13.303 12.037 1.00 25.90 O ATOM 0 H SER B 43 -6.764 13.199 9.622 1.00 24.10 H new ATOM 0 HA SER B 43 -5.834 14.933 11.549 1.00 23.32 H new ATOM 0 HB2 SER B 43 -5.696 12.799 12.299 1.00 24.15 H new ATOM 0 HB3 SER B 43 -5.103 12.293 10.949 1.00 24.15 H new ATOM 0 HG SER B 43 -3.252 13.030 11.476 1.00 25.90 H new ATOM 1237 N PHE B 44 -4.474 16.003 9.666 1.00 21.80 N ATOM 1238 CA PHE B 44 -3.630 16.570 8.616 1.00 21.18 C ATOM 1239 C PHE B 44 -2.473 17.343 9.262 1.00 21.89 C ATOM 1240 O PHE B 44 -2.557 18.557 9.453 1.00 20.32 O ATOM 1241 CB PHE B 44 -4.495 17.504 7.760 1.00 19.83 C ATOM 1242 CG PHE B 44 -3.819 18.021 6.525 1.00 20.03 C ATOM 1243 CD1 PHE B 44 -4.439 18.990 5.751 1.00 21.59 C ATOM 1244 CD2 PHE B 44 -2.573 17.542 6.128 1.00 23.00 C ATOM 1245 CE1 PHE B 44 -3.834 19.476 4.604 1.00 21.77 C ATOM 1246 CE2 PHE B 44 -1.960 18.020 4.979 1.00 21.76 C ATOM 1247 CZ PHE B 44 -2.594 18.989 4.217 1.00 22.70 C ATOM 0 H PHE B 44 -4.768 16.582 10.230 1.00 21.80 H new ATOM 0 HA PHE B 44 -3.257 15.872 8.056 1.00 21.18 H new ATOM 0 HB2 PHE B 44 -5.301 17.031 7.500 1.00 19.83 H new ATOM 0 HB3 PHE B 44 -4.771 18.258 8.303 1.00 19.83 H new ATOM 0 HD1 PHE B 44 -5.271 19.318 6.005 1.00 21.59 H new ATOM 0 HD2 PHE B 44 -2.146 16.893 6.640 1.00 23.00 H new ATOM 0 HE1 PHE B 44 -4.258 20.128 4.094 1.00 21.77 H new ATOM 0 HE2 PHE B 44 -1.129 17.692 4.721 1.00 21.76 H new ATOM 0 HZ PHE B 44 -2.188 19.313 3.446 1.00 22.70 H new ATOM 1248 N PRO B 45 -1.382 16.640 9.612 1.00 23.30 N ATOM 1249 CA PRO B 45 -0.182 17.203 10.248 1.00 23.84 C ATOM 1250 C PRO B 45 0.468 18.421 9.581 1.00 25.02 C ATOM 1251 O PRO B 45 0.731 19.431 10.242 1.00 24.49 O ATOM 1252 CB PRO B 45 0.760 16.007 10.306 1.00 23.75 C ATOM 1253 CG PRO B 45 -0.183 14.883 10.555 1.00 23.57 C ATOM 1254 CD PRO B 45 -1.283 15.171 9.549 1.00 23.70 C ATOM 0 HA PRO B 45 -0.416 17.590 11.106 1.00 23.84 H new ATOM 0 HB2 PRO B 45 1.252 15.892 9.478 1.00 23.75 H new ATOM 0 HB3 PRO B 45 1.416 16.095 11.016 1.00 23.75 H new ATOM 0 HG2 PRO B 45 0.232 14.020 10.403 1.00 23.57 H new ATOM 0 HG3 PRO B 45 -0.515 14.882 11.466 1.00 23.57 H new ATOM 0 HD2 PRO B 45 -1.051 14.861 8.660 1.00 23.70 H new ATOM 0 HD3 PRO B 45 -2.118 14.740 9.791 1.00 23.70 H new ATOM 1255 N GLU B 46 0.734 18.308 8.281 1.00 23.84 N ATOM 1256 CA GLU B 46 1.367 19.367 7.507 1.00 25.17 C ATOM 1257 C GLU B 46 0.354 20.361 6.971 1.00 22.84 C ATOM 1258 O GLU B 46 0.638 21.052 6.001 1.00 23.96 O ATOM 1259 CB GLU B 46 2.105 18.760 6.319 1.00 30.03 C ATOM 1260 CG GLU B 46 3.366 18.020 6.664 1.00 40.30 C ATOM 1261 CD GLU B 46 4.598 18.823 6.317 1.00 47.44 C ATOM 1262 OE1 GLU B 46 5.713 18.270 6.396 1.00 51.47 O ATOM 1263 OE2 GLU B 46 4.449 20.014 5.969 1.00 51.00 O ATOM 0 H GLU B 46 0.549 17.605 7.821 1.00 23.84 H new ATOM 0 HA GLU B 46 1.978 19.831 8.101 1.00 25.17 H new ATOM 0 HB2 GLU B 46 1.505 18.152 5.859 1.00 30.03 H new ATOM 0 HB3 GLU B 46 2.323 19.469 5.694 1.00 30.03 H new ATOM 0 HG2 GLU B 46 3.371 17.813 7.612 1.00 40.30 H new ATOM 0 HG3 GLU B 46 3.386 17.175 6.189 1.00 40.30 H new ATOM 1264 N LYS B 47 -0.810 20.460 7.600 1.00 20.81 N ATOM 1265 CA LYS B 47 -1.852 21.344 7.093 1.00 20.31 C ATOM 1266 C LYS B 47 -1.459 22.788 6.857 1.00 21.15 C ATOM 1267 O LYS B 47 -1.932 23.419 5.908 1.00 21.29 O ATOM 1268 CB LYS B 47 -3.091 21.301 7.996 1.00 20.16 C ATOM 1269 CG LYS B 47 -2.948 21.952 9.362 1.00 19.57 C ATOM 1270 CD LYS B 47 -4.216 21.729 10.174 1.00 19.23 C ATOM 1271 CE LYS B 47 -4.228 22.492 11.494 1.00 20.60 C ATOM 1272 NZ LYS B 47 -3.187 22.069 12.482 1.00 20.89 N ATOM 0 H LYS B 47 -1.016 20.029 8.315 1.00 20.81 H new ATOM 0 HA LYS B 47 -2.040 20.985 6.212 1.00 20.31 H new ATOM 0 HB2 LYS B 47 -3.824 21.731 7.529 1.00 20.16 H new ATOM 0 HB3 LYS B 47 -3.342 20.373 8.125 1.00 20.16 H new ATOM 0 HG2 LYS B 47 -2.185 21.578 9.829 1.00 19.57 H new ATOM 0 HG3 LYS B 47 -2.781 22.902 9.261 1.00 19.57 H new ATOM 0 HD2 LYS B 47 -4.983 21.998 9.645 1.00 19.23 H new ATOM 0 HD3 LYS B 47 -4.315 20.781 10.355 1.00 19.23 H new ATOM 0 HE2 LYS B 47 -4.111 23.436 11.307 1.00 20.60 H new ATOM 0 HE3 LYS B 47 -5.102 22.390 11.902 1.00 20.60 H new ATOM 0 HZ1 LYS B 47 -3.441 22.307 13.301 1.00 20.89 H new ATOM 0 HZ2 LYS B 47 -3.087 21.185 12.448 1.00 20.89 H new ATOM 0 HZ3 LYS B 47 -2.413 22.463 12.285 1.00 20.89 H new ATOM 1273 N ASP B 48 -0.589 23.323 7.699 1.00 21.78 N ATOM 1274 CA ASP B 48 -0.201 24.714 7.541 1.00 22.45 C ATOM 1275 C ASP B 48 0.640 24.975 6.303 1.00 23.30 C ATOM 1276 O ASP B 48 0.897 26.119 5.963 1.00 23.55 O ATOM 1277 CB ASP B 48 0.532 25.184 8.797 1.00 24.28 C ATOM 1278 CG ASP B 48 1.948 24.683 8.867 1.00 23.83 C ATOM 1279 OD1 ASP B 48 2.265 23.618 8.289 1.00 26.45 O ATOM 1280 OD2 ASP B 48 2.748 25.363 9.527 1.00 27.98 O ATOM 0 H ASP B 48 -0.218 22.909 8.355 1.00 21.78 H new ATOM 0 HA ASP B 48 -1.017 25.223 7.418 1.00 22.45 H new ATOM 0 HB2 ASP B 48 0.535 26.154 8.821 1.00 24.28 H new ATOM 0 HB3 ASP B 48 0.047 24.882 9.581 1.00 24.28 H new ATOM 1281 N GLN B 49 1.056 23.919 5.616 1.00 26.40 N ATOM 1282 CA GLN B 49 1.881 24.066 4.421 1.00 28.51 C ATOM 1283 C GLN B 49 1.093 24.069 3.105 1.00 30.27 C ATOM 1284 O GLN B 49 1.662 24.340 2.043 1.00 31.33 O ATOM 1285 CB GLN B 49 2.911 22.936 4.362 1.00 29.00 C ATOM 1286 CG GLN B 49 3.901 22.898 5.522 1.00 32.57 C ATOM 1287 CD GLN B 49 4.932 24.006 5.454 1.00 34.91 C ATOM 1288 OE1 GLN B 49 5.638 24.157 4.448 1.00 33.78 O ATOM 1289 NE2 GLN B 49 5.032 24.787 6.528 1.00 34.51 N ATOM 0 H GLN B 49 0.872 23.105 5.825 1.00 26.40 H new ATOM 0 HA GLN B 49 2.303 24.936 4.502 1.00 28.51 H new ATOM 0 HB2 GLN B 49 2.439 22.089 4.330 1.00 29.00 H new ATOM 0 HB3 GLN B 49 3.409 23.014 3.533 1.00 29.00 H new ATOM 0 HG2 GLN B 49 3.415 22.966 6.359 1.00 32.57 H new ATOM 0 HG3 GLN B 49 4.354 22.040 5.526 1.00 32.57 H new ATOM 0 HE21 GLN B 49 4.523 24.650 7.208 1.00 34.51 H new ATOM 0 HE22 GLN B 49 5.605 25.428 6.542 1.00 34.51 H new ATOM 1290 N VAL B 50 -0.205 23.779 3.164 1.00 30.15 N ATOM 1291 CA VAL B 50 -1.009 23.710 1.941 1.00 30.22 C ATOM 1292 C VAL B 50 -1.641 24.977 1.388 1.00 28.41 C ATOM 1293 O VAL B 50 -2.230 25.774 2.109 1.00 25.85 O ATOM 1294 CB VAL B 50 -2.153 22.671 2.069 1.00 32.47 C ATOM 1295 CG1 VAL B 50 -1.587 21.316 2.378 1.00 33.80 C ATOM 1296 CG2 VAL B 50 -3.143 23.095 3.139 1.00 32.91 C ATOM 0 H VAL B 50 -0.636 23.620 3.891 1.00 30.15 H new ATOM 0 HA VAL B 50 -0.316 23.469 1.307 1.00 30.22 H new ATOM 0 HB VAL B 50 -2.626 22.624 1.223 1.00 32.47 H new ATOM 0 HG11 VAL B 50 -2.309 20.673 2.456 1.00 33.80 H new ATOM 0 HG12 VAL B 50 -0.989 21.044 1.664 1.00 33.80 H new ATOM 0 HG13 VAL B 50 -1.096 21.353 3.214 1.00 33.80 H new ATOM 0 HG21 VAL B 50 -3.851 22.435 3.205 1.00 32.91 H new ATOM 0 HG22 VAL B 50 -2.687 23.166 3.992 1.00 32.91 H new ATOM 0 HG23 VAL B 50 -3.525 23.955 2.904 1.00 32.91 H new ATOM 1297 N THR B 51 -1.527 25.133 0.078 1.00 28.78 N ATOM 1298 CA THR B 51 -2.132 26.255 -0.611 1.00 30.17 C ATOM 1299 C THR B 51 -2.739 25.683 -1.885 1.00 29.37 C ATOM 1300 O THR B 51 -2.047 25.468 -2.872 1.00 30.50 O ATOM 1301 CB THR B 51 -1.105 27.340 -0.984 1.00 31.10 C ATOM 1302 OG1 THR B 51 -0.501 27.850 0.209 1.00 31.35 O ATOM 1303 CG2 THR B 51 -1.795 28.487 -1.707 1.00 30.98 C ATOM 0 H THR B 51 -1.097 24.592 -0.434 1.00 28.78 H new ATOM 0 HA THR B 51 -2.787 26.680 -0.035 1.00 30.17 H new ATOM 0 HB THR B 51 -0.432 26.949 -1.563 1.00 31.10 H new ATOM 0 HG1 THR B 51 0.061 28.441 0.008 1.00 31.35 H new ATOM 0 HG21 THR B 51 -1.141 29.165 -1.938 1.00 30.98 H new ATOM 0 HG22 THR B 51 -2.214 28.154 -2.516 1.00 30.98 H new ATOM 0 HG23 THR B 51 -2.471 28.874 -1.129 1.00 30.98 H new ATOM 1304 N LEU B 52 -4.037 25.421 -1.847 1.00 27.68 N ATOM 1305 CA LEU B 52 -4.743 24.867 -2.987 1.00 26.03 C ATOM 1306 C LEU B 52 -5.066 25.920 -4.044 1.00 25.24 C ATOM 1307 O LEU B 52 -5.348 27.076 -3.728 1.00 24.78 O ATOM 1308 CB LEU B 52 -6.040 24.203 -2.514 1.00 25.63 C ATOM 1309 CG LEU B 52 -5.875 23.094 -1.474 1.00 26.22 C ATOM 1310 CD1 LEU B 52 -7.214 22.407 -1.244 1.00 26.82 C ATOM 1311 CD2 LEU B 52 -4.846 22.084 -1.964 1.00 26.96 C ATOM 0 H LEU B 52 -4.533 25.560 -1.158 1.00 27.68 H new ATOM 0 HA LEU B 52 -4.157 24.213 -3.399 1.00 26.03 H new ATOM 0 HB2 LEU B 52 -6.618 24.888 -2.144 1.00 25.63 H new ATOM 0 HB3 LEU B 52 -6.496 23.834 -3.287 1.00 25.63 H new ATOM 0 HG LEU B 52 -5.568 23.477 -0.637 1.00 26.22 H new ATOM 0 HD11 LEU B 52 -7.108 21.704 -0.584 1.00 26.82 H new ATOM 0 HD12 LEU B 52 -7.860 23.056 -0.924 1.00 26.82 H new ATOM 0 HD13 LEU B 52 -7.528 22.023 -2.077 1.00 26.82 H new ATOM 0 HD21 LEU B 52 -4.742 21.381 -1.304 1.00 26.96 H new ATOM 0 HD22 LEU B 52 -5.145 21.698 -2.802 1.00 26.96 H new ATOM 0 HD23 LEU B 52 -3.995 22.529 -2.099 1.00 26.96 H new ATOM 1312 N ALA B 53 -5.020 25.504 -5.301 1.00 25.90 N ATOM 1313 CA ALA B 53 -5.333 26.381 -6.418 1.00 25.51 C ATOM 1314 C ALA B 53 -5.932 25.513 -7.520 1.00 25.67 C ATOM 1315 O ALA B 53 -5.732 24.294 -7.523 1.00 26.34 O ATOM 1316 CB ALA B 53 -4.069 27.070 -6.913 1.00 24.36 C ATOM 0 H ALA B 53 -4.806 24.703 -5.531 1.00 25.90 H new ATOM 0 HA ALA B 53 -5.959 27.071 -6.150 1.00 25.51 H new ATOM 0 HB1 ALA B 53 -4.288 27.652 -7.657 1.00 24.36 H new ATOM 0 HB2 ALA B 53 -3.684 27.596 -6.194 1.00 24.36 H new ATOM 0 HB3 ALA B 53 -3.428 26.402 -7.203 1.00 24.36 H new ATOM 1317 N GLU B 54 -6.686 26.119 -8.435 1.00 25.77 N ATOM 1318 CA GLU B 54 -7.268 25.358 -9.540 1.00 26.87 C ATOM 1319 C GLU B 54 -6.117 24.669 -10.279 1.00 28.05 C ATOM 1320 O GLU B 54 -5.063 25.273 -10.499 1.00 27.73 O ATOM 1321 CB GLU B 54 -8.017 26.285 -10.509 1.00 25.44 C ATOM 1322 CG GLU B 54 -9.124 27.105 -9.874 1.00 27.50 C ATOM 1323 CD GLU B 54 -9.879 27.967 -10.891 1.00 29.79 C ATOM 1324 OE1 GLU B 54 -10.687 28.839 -10.480 1.00 27.74 O ATOM 1325 OE2 GLU B 54 -9.668 27.765 -12.108 1.00 34.14 O ATOM 0 H GLU B 54 -6.871 26.959 -8.436 1.00 25.77 H new ATOM 0 HA GLU B 54 -7.904 24.711 -9.196 1.00 26.87 H new ATOM 0 HB2 GLU B 54 -7.378 26.889 -10.918 1.00 25.44 H new ATOM 0 HB3 GLU B 54 -8.397 25.748 -11.222 1.00 25.44 H new ATOM 0 HG2 GLU B 54 -9.750 26.510 -9.432 1.00 27.50 H new ATOM 0 HG3 GLU B 54 -8.745 27.677 -9.189 1.00 27.50 H new ATOM 1326 N GLY B 55 -6.305 23.405 -10.649 1.00 27.09 N ATOM 1327 CA GLY B 55 -5.255 22.692 -11.354 1.00 26.46 C ATOM 1328 C GLY B 55 -4.605 21.645 -10.479 1.00 27.36 C ATOM 1329 O GLY B 55 -4.166 20.602 -10.969 1.00 27.32 O ATOM 0 H GLY B 55 -7.021 22.952 -10.503 1.00 27.09 H new ATOM 0 HA2 GLY B 55 -5.625 22.269 -12.144 1.00 26.46 H new ATOM 0 HA3 GLY B 55 -4.583 23.322 -11.658 1.00 26.46 H new ATOM 1330 N ASP B 56 -4.540 21.920 -9.178 1.00 26.61 N ATOM 1331 CA ASP B 56 -3.953 20.979 -8.230 1.00 27.77 C ATOM 1332 C ASP B 56 -4.751 19.676 -8.211 1.00 27.46 C ATOM 1333 O ASP B 56 -5.725 19.523 -8.943 1.00 26.61 O ATOM 1334 CB ASP B 56 -3.921 21.578 -6.826 1.00 27.16 C ATOM 1335 CG ASP B 56 -3.023 22.778 -6.732 1.00 29.22 C ATOM 1336 OD1 ASP B 56 -2.114 22.900 -7.581 1.00 30.58 O ATOM 1337 OD2 ASP B 56 -3.211 23.593 -5.804 1.00 29.82 O ATOM 0 H ASP B 56 -4.831 22.648 -8.824 1.00 26.61 H new ATOM 0 HA ASP B 56 -3.044 20.793 -8.514 1.00 27.77 H new ATOM 0 HB2 ASP B 56 -4.821 21.830 -6.565 1.00 27.16 H new ATOM 0 HB3 ASP B 56 -3.621 20.903 -6.197 1.00 27.16 H new ATOM 1338 N HIS B 57 -4.340 18.745 -7.361 1.00 28.24 N ATOM 1339 CA HIS B 57 -5.011 17.460 -7.274 1.00 28.49 C ATOM 1340 C HIS B 57 -5.159 16.970 -5.849 1.00 29.19 C ATOM 1341 O HIS B 57 -4.316 17.252 -4.998 1.00 27.21 O ATOM 1342 CB HIS B 57 -4.215 16.419 -8.058 1.00 29.75 C ATOM 1343 CG HIS B 57 -4.050 16.757 -9.501 1.00 33.42 C ATOM 1344 ND1 HIS B 57 -4.974 16.400 -10.458 1.00 36.01 N ATOM 1345 CD2 HIS B 57 -3.101 17.476 -10.143 1.00 34.12 C ATOM 1346 CE1 HIS B 57 -4.601 16.887 -11.629 1.00 35.01 C ATOM 1347 NE2 HIS B 57 -3.468 17.544 -11.464 1.00 34.74 N ATOM 0 H HIS B 57 -3.673 18.839 -6.826 1.00 28.24 H new ATOM 0 HA HIS B 57 -5.900 17.581 -7.643 1.00 28.49 H new ATOM 0 HB2 HIS B 57 -3.339 16.321 -7.654 1.00 29.75 H new ATOM 0 HB3 HIS B 57 -4.659 15.560 -7.983 1.00 29.75 H new ATOM 0 HD2 HIS B 57 -2.342 17.854 -9.761 1.00 34.12 H new ATOM 0 HE1 HIS B 57 -5.059 16.784 -12.432 1.00 35.01 H new ATOM 0 HE2 HIS B 57 -3.031 17.949 -12.084 1.00 34.74 H new ATOM 1348 N LEU B 58 -6.246 16.248 -5.590 1.00 29.46 N ATOM 1349 CA LEU B 58 -6.465 15.646 -4.283 1.00 30.21 C ATOM 1350 C LEU B 58 -6.645 14.161 -4.563 1.00 31.15 C ATOM 1351 O LEU B 58 -7.465 13.789 -5.398 1.00 31.75 O ATOM 1352 CB LEU B 58 -7.746 16.141 -3.595 1.00 27.20 C ATOM 1353 CG LEU B 58 -8.035 17.581 -3.190 1.00 25.72 C ATOM 1354 CD1 LEU B 58 -9.244 17.559 -2.277 1.00 21.76 C ATOM 1355 CD2 LEU B 58 -6.861 18.205 -2.482 1.00 24.72 C ATOM 0 H LEU B 58 -6.870 16.096 -6.162 1.00 29.46 H new ATOM 0 HA LEU B 58 -5.724 15.868 -3.697 1.00 30.21 H new ATOM 0 HB2 LEU B 58 -8.476 15.879 -4.177 1.00 27.20 H new ATOM 0 HB3 LEU B 58 -7.829 15.617 -2.783 1.00 27.20 H new ATOM 0 HG LEU B 58 -8.203 18.116 -3.981 1.00 25.72 H new ATOM 0 HD11 LEU B 58 -9.456 18.464 -1.999 1.00 21.76 H new ATOM 0 HD12 LEU B 58 -10.001 17.181 -2.751 1.00 21.76 H new ATOM 0 HD13 LEU B 58 -9.050 17.018 -1.495 1.00 21.76 H new ATOM 0 HD21 LEU B 58 -7.078 19.119 -2.239 1.00 24.72 H new ATOM 0 HD22 LEU B 58 -6.659 17.697 -1.681 1.00 24.72 H new ATOM 0 HD23 LEU B 58 -6.089 18.202 -3.070 1.00 24.72 H new ATOM 1356 N LYS B 59 -5.869 13.316 -3.895 1.00 31.24 N ATOM 1357 CA LYS B 59 -6.026 11.877 -4.061 1.00 30.25 C ATOM 1358 C LYS B 59 -6.671 11.389 -2.769 1.00 27.90 C ATOM 1359 O LYS B 59 -6.020 11.333 -1.724 1.00 25.45 O ATOM 1360 CB LYS B 59 -4.678 11.178 -4.262 1.00 36.33 C ATOM 1361 CG LYS B 59 -4.804 9.660 -4.358 1.00 40.66 C ATOM 1362 CD LYS B 59 -3.457 8.977 -4.535 1.00 46.12 C ATOM 1363 CE LYS B 59 -3.619 7.467 -4.596 1.00 49.50 C ATOM 1364 NZ LYS B 59 -4.546 7.058 -5.688 1.00 52.27 N ATOM 0 H LYS B 59 -5.251 13.552 -3.346 1.00 31.24 H new ATOM 0 HA LYS B 59 -6.560 11.677 -4.846 1.00 30.25 H new ATOM 0 HB2 LYS B 59 -4.262 11.515 -5.071 1.00 36.33 H new ATOM 0 HB3 LYS B 59 -4.089 11.403 -3.525 1.00 36.33 H new ATOM 0 HG2 LYS B 59 -5.232 9.322 -3.556 1.00 40.66 H new ATOM 0 HG3 LYS B 59 -5.380 9.432 -5.105 1.00 40.66 H new ATOM 0 HD2 LYS B 59 -3.034 9.294 -5.348 1.00 46.12 H new ATOM 0 HD3 LYS B 59 -2.871 9.214 -3.799 1.00 46.12 H new ATOM 0 HE2 LYS B 59 -2.753 7.053 -4.734 1.00 49.50 H new ATOM 0 HE3 LYS B 59 -3.956 7.142 -3.746 1.00 49.50 H new ATOM 0 HZ1 LYS B 59 -4.456 6.186 -5.843 1.00 52.27 H new ATOM 0 HZ2 LYS B 59 -5.385 7.231 -5.446 1.00 52.27 H new ATOM 0 HZ3 LYS B 59 -4.351 7.512 -6.428 1.00 52.27 H new ATOM 1365 N ILE B 60 -7.959 11.066 -2.839 1.00 25.07 N ATOM 1366 CA ILE B 60 -8.691 10.586 -1.677 1.00 25.00 C ATOM 1367 C ILE B 60 -8.785 9.075 -1.778 1.00 27.37 C ATOM 1368 O ILE B 60 -9.581 8.540 -2.554 1.00 28.77 O ATOM 1369 CB ILE B 60 -10.098 11.165 -1.639 1.00 22.20 C ATOM 1370 CG1 ILE B 60 -10.022 12.693 -1.706 1.00 21.33 C ATOM 1371 CG2 ILE B 60 -10.812 10.691 -0.388 1.00 17.98 C ATOM 1372 CD1 ILE B 60 -11.368 13.371 -1.773 1.00 20.16 C ATOM 0 H ILE B 60 -8.429 11.119 -3.557 1.00 25.07 H new ATOM 0 HA ILE B 60 -8.227 10.860 -0.870 1.00 25.00 H new ATOM 0 HB ILE B 60 -10.607 10.856 -2.405 1.00 22.20 H new ATOM 0 HG12 ILE B 60 -9.544 13.018 -0.927 1.00 21.33 H new ATOM 0 HG13 ILE B 60 -9.502 12.948 -2.484 1.00 21.33 H new ATOM 0 HG21 ILE B 60 -11.708 11.062 -0.367 1.00 17.98 H new ATOM 0 HG22 ILE B 60 -10.863 9.722 -0.392 1.00 17.98 H new ATOM 0 HG23 ILE B 60 -10.322 10.985 0.396 1.00 17.98 H new ATOM 0 HD11 ILE B 60 -11.245 14.332 -1.813 1.00 20.16 H new ATOM 0 HD12 ILE B 60 -11.842 13.073 -2.565 1.00 20.16 H new ATOM 0 HD13 ILE B 60 -11.884 13.144 -0.984 1.00 20.16 H new ATOM 1373 N GLY B 61 -7.970 8.382 -0.997 1.00 28.72 N ATOM 1374 CA GLY B 61 -7.993 6.941 -1.070 1.00 30.43 C ATOM 1375 C GLY B 61 -7.396 6.507 -2.396 1.00 33.65 C ATOM 1376 O GLY B 61 -6.211 6.728 -2.648 1.00 32.49 O ATOM 0 H GLY B 61 -7.413 8.719 -0.435 1.00 28.72 H new ATOM 0 HA2 GLY B 61 -7.489 6.560 -0.334 1.00 30.43 H new ATOM 0 HA3 GLY B 61 -8.903 6.615 -0.989 1.00 30.43 H new ATOM 1377 N ASP B 62 -8.214 5.922 -3.265 1.00 37.25 N ATOM 1378 CA ASP B 62 -7.717 5.438 -4.552 1.00 40.26 C ATOM 1379 C ASP B 62 -8.056 6.306 -5.761 1.00 38.38 C ATOM 1380 O ASP B 62 -7.521 6.089 -6.847 1.00 37.42 O ATOM 1381 CB ASP B 62 -8.232 4.016 -4.800 1.00 46.12 C ATOM 1382 CG ASP B 62 -9.749 3.956 -4.921 1.00 50.16 C ATOM 1383 OD1 ASP B 62 -10.444 4.375 -3.971 1.00 52.36 O ATOM 1384 OD2 ASP B 62 -10.246 3.490 -5.968 1.00 53.41 O ATOM 0 H ASP B 62 -9.054 5.796 -3.132 1.00 37.25 H new ATOM 0 HA ASP B 62 -6.751 5.468 -4.473 1.00 40.26 H new ATOM 0 HB2 ASP B 62 -7.832 3.668 -5.612 1.00 46.12 H new ATOM 0 HB3 ASP B 62 -7.946 3.441 -4.073 1.00 46.12 H new ATOM 1385 N THR B 63 -8.940 7.282 -5.578 1.00 35.18 N ATOM 1386 CA THR B 63 -9.343 8.147 -6.682 1.00 32.24 C ATOM 1387 C THR B 63 -8.590 9.476 -6.704 1.00 31.80 C ATOM 1388 O THR B 63 -8.425 10.132 -5.671 1.00 29.92 O ATOM 1389 CB THR B 63 -10.859 8.468 -6.630 1.00 32.17 C ATOM 1390 OG1 THR B 63 -11.606 7.260 -6.454 1.00 35.20 O ATOM 1391 CG2 THR B 63 -11.306 9.137 -7.921 1.00 29.41 C ATOM 0 H THR B 63 -9.317 7.460 -4.826 1.00 35.18 H new ATOM 0 HA THR B 63 -9.127 7.646 -7.484 1.00 32.24 H new ATOM 0 HB THR B 63 -11.018 9.068 -5.885 1.00 32.17 H new ATOM 0 HG1 THR B 63 -12.427 7.427 -6.516 1.00 35.20 H new ATOM 0 HG21 THR B 63 -12.255 9.331 -7.873 1.00 29.41 H new ATOM 0 HG22 THR B 63 -10.813 9.963 -8.045 1.00 29.41 H new ATOM 0 HG23 THR B 63 -11.135 8.544 -8.669 1.00 29.41 H new ATOM 1392 N ASN B 64 -8.141 9.872 -7.891 1.00 29.72 N ATOM 1393 CA ASN B 64 -7.433 11.132 -8.061 1.00 29.44 C ATOM 1394 C ASN B 64 -8.415 12.146 -8.640 1.00 28.29 C ATOM 1395 O ASN B 64 -9.054 11.895 -9.665 1.00 27.12 O ATOM 1396 CB ASN B 64 -6.233 10.952 -8.998 1.00 33.90 C ATOM 1397 CG ASN B 64 -5.391 12.209 -9.113 1.00 36.63 C ATOM 1398 OD1 ASN B 64 -5.681 13.098 -9.916 1.00 39.85 O ATOM 1399 ND2 ASN B 64 -4.352 12.298 -8.292 1.00 37.75 N ATOM 0 H ASN B 64 -8.238 9.419 -8.616 1.00 29.72 H new ATOM 0 HA ASN B 64 -7.094 11.443 -7.207 1.00 29.44 H new ATOM 0 HB2 ASN B 64 -5.680 10.224 -8.674 1.00 33.90 H new ATOM 0 HB3 ASN B 64 -6.550 10.697 -9.879 1.00 33.90 H new ATOM 0 HD21 ASN B 64 -3.850 12.996 -8.307 1.00 37.75 H new ATOM 0 HD22 ASN B 64 -4.180 11.657 -7.745 1.00 37.75 H new ATOM 1400 N TYR B 65 -8.547 13.283 -7.960 1.00 26.88 N ATOM 1401 CA TYR B 65 -9.446 14.354 -8.384 1.00 24.48 C ATOM 1402 C TYR B 65 -8.636 15.579 -8.778 1.00 24.60 C ATOM 1403 O TYR B 65 -7.497 15.748 -8.332 1.00 24.00 O ATOM 1404 CB TYR B 65 -10.389 14.739 -7.241 1.00 22.65 C ATOM 1405 CG TYR B 65 -11.329 13.636 -6.818 1.00 19.72 C ATOM 1406 CD1 TYR B 65 -12.535 13.434 -7.485 1.00 15.59 C ATOM 1407 CD2 TYR B 65 -11.006 12.784 -5.753 1.00 19.42 C ATOM 1408 CE1 TYR B 65 -13.401 12.417 -7.111 1.00 14.41 C ATOM 1409 CE2 TYR B 65 -11.868 11.759 -5.366 1.00 18.54 C ATOM 1410 CZ TYR B 65 -13.065 11.584 -6.053 1.00 19.21 C ATOM 1411 OH TYR B 65 -13.934 10.584 -5.673 1.00 20.71 O ATOM 0 H TYR B 65 -8.115 13.455 -7.236 1.00 26.88 H new ATOM 0 HA TYR B 65 -9.964 14.038 -9.141 1.00 24.48 H new ATOM 0 HB2 TYR B 65 -9.859 15.010 -6.475 1.00 22.65 H new ATOM 0 HB3 TYR B 65 -10.912 15.510 -7.512 1.00 22.65 H new ATOM 0 HD1 TYR B 65 -12.764 13.991 -8.194 1.00 15.59 H new ATOM 0 HD2 TYR B 65 -10.204 12.904 -5.297 1.00 19.42 H new ATOM 0 HE1 TYR B 65 -14.202 12.294 -7.567 1.00 14.41 H new ATOM 0 HE2 TYR B 65 -11.646 11.199 -4.657 1.00 18.54 H new ATOM 0 HH TYR B 65 -14.681 10.708 -6.037 1.00 20.71 H new ATOM 1412 N THR B 66 -9.235 16.423 -9.615 1.00 24.05 N ATOM 1413 CA THR B 66 -8.610 17.661 -10.068 1.00 22.74 C ATOM 1414 C THR B 66 -9.442 18.839 -9.528 1.00 22.21 C ATOM 1415 O THR B 66 -10.668 18.872 -9.688 1.00 22.70 O ATOM 1416 CB THR B 66 -8.549 17.726 -11.623 1.00 22.64 C ATOM 1417 OG1 THR B 66 -7.807 16.605 -12.121 1.00 21.86 O ATOM 1418 CG2 THR B 66 -7.864 18.992 -12.083 1.00 20.30 C ATOM 0 H THR B 66 -10.021 16.291 -9.938 1.00 24.05 H new ATOM 0 HA THR B 66 -7.699 17.702 -9.737 1.00 22.74 H new ATOM 0 HB THR B 66 -9.458 17.712 -11.961 1.00 22.64 H new ATOM 0 HG1 THR B 66 -7.281 16.862 -12.723 1.00 21.86 H new ATOM 0 HG21 THR B 66 -7.837 19.012 -13.052 1.00 20.30 H new ATOM 0 HG22 THR B 66 -8.355 19.763 -11.758 1.00 20.30 H new ATOM 0 HG23 THR B 66 -6.959 19.016 -11.734 1.00 20.30 H new ATOM 1419 N ILE B 67 -8.777 19.782 -8.861 1.00 20.57 N ATOM 1420 CA ILE B 67 -9.449 20.961 -8.312 1.00 18.79 C ATOM 1421 C ILE B 67 -9.729 21.914 -9.464 1.00 19.40 C ATOM 1422 O ILE B 67 -8.805 22.339 -10.162 1.00 18.17 O ATOM 1423 CB ILE B 67 -8.568 21.702 -7.275 1.00 18.05 C ATOM 1424 CG1 ILE B 67 -8.206 20.762 -6.123 1.00 17.30 C ATOM 1425 CG2 ILE B 67 -9.309 22.937 -6.750 1.00 17.96 C ATOM 1426 CD1 ILE B 67 -7.294 21.396 -5.066 1.00 16.25 C ATOM 0 H ILE B 67 -7.930 19.757 -8.715 1.00 20.57 H new ATOM 0 HA ILE B 67 -10.261 20.673 -7.866 1.00 18.79 H new ATOM 0 HB ILE B 67 -7.747 21.991 -7.704 1.00 18.05 H new ATOM 0 HG12 ILE B 67 -9.022 20.461 -5.694 1.00 17.30 H new ATOM 0 HG13 ILE B 67 -7.769 19.975 -6.485 1.00 17.30 H new ATOM 0 HG21 ILE B 67 -8.753 23.397 -6.102 1.00 17.96 H new ATOM 0 HG22 ILE B 67 -9.506 23.535 -7.488 1.00 17.96 H new ATOM 0 HG23 ILE B 67 -10.138 22.662 -6.328 1.00 17.96 H new ATOM 0 HD11 ILE B 67 -7.106 20.748 -4.369 1.00 16.25 H new ATOM 0 HD12 ILE B 67 -6.463 21.674 -5.481 1.00 16.25 H new ATOM 0 HD13 ILE B 67 -7.736 22.168 -4.678 1.00 16.25 H new ATOM 1427 N THR B 68 -11.002 22.248 -9.657 1.00 18.84 N ATOM 1428 CA THR B 68 -11.409 23.136 -10.733 1.00 18.59 C ATOM 1429 C THR B 68 -11.712 24.545 -10.237 1.00 19.70 C ATOM 1430 O THR B 68 -11.714 25.495 -11.010 1.00 20.25 O ATOM 1431 CB THR B 68 -12.662 22.590 -11.448 1.00 19.60 C ATOM 1432 OG1 THR B 68 -13.800 22.730 -10.590 1.00 18.09 O ATOM 1433 CG2 THR B 68 -12.485 21.109 -11.793 1.00 18.68 C ATOM 0 H THR B 68 -11.650 21.965 -9.168 1.00 18.84 H new ATOM 0 HA THR B 68 -10.661 23.178 -11.349 1.00 18.59 H new ATOM 0 HB THR B 68 -12.792 23.094 -12.266 1.00 19.60 H new ATOM 0 HG1 THR B 68 -14.287 22.049 -10.656 1.00 18.09 H new ATOM 0 HG21 THR B 68 -13.281 20.784 -12.241 1.00 18.68 H new ATOM 0 HG22 THR B 68 -11.719 21.002 -12.378 1.00 18.68 H new ATOM 0 HG23 THR B 68 -12.343 20.602 -10.979 1.00 18.68 H new ATOM 1434 N LYS B 69 -11.964 24.689 -8.942 1.00 18.02 N ATOM 1435 CA LYS B 69 -12.269 25.994 -8.374 1.00 16.33 C ATOM 1436 C LYS B 69 -12.019 25.938 -6.877 1.00 18.11 C ATOM 1437 O LYS B 69 -12.083 24.870 -6.280 1.00 16.57 O ATOM 1438 CB LYS B 69 -13.733 26.342 -8.640 1.00 18.12 C ATOM 1439 CG LYS B 69 -14.227 27.617 -7.986 1.00 19.03 C ATOM 1440 CD LYS B 69 -13.726 28.837 -8.722 1.00 24.75 C ATOM 1441 CE LYS B 69 -14.385 30.094 -8.201 1.00 23.03 C ATOM 1442 NZ LYS B 69 -14.050 31.259 -9.073 1.00 27.97 N ATOM 0 H LYS B 69 -11.963 24.043 -8.375 1.00 18.02 H new ATOM 0 HA LYS B 69 -11.707 26.673 -8.779 1.00 16.33 H new ATOM 0 HB2 LYS B 69 -13.863 26.417 -9.598 1.00 18.12 H new ATOM 0 HB3 LYS B 69 -14.285 25.605 -8.335 1.00 18.12 H new ATOM 0 HG2 LYS B 69 -15.197 27.621 -7.971 1.00 19.03 H new ATOM 0 HG3 LYS B 69 -13.928 27.647 -7.064 1.00 19.03 H new ATOM 0 HD2 LYS B 69 -12.764 28.907 -8.621 1.00 24.75 H new ATOM 0 HD3 LYS B 69 -13.906 28.743 -9.671 1.00 24.75 H new ATOM 0 HE2 LYS B 69 -15.347 29.972 -8.170 1.00 23.03 H new ATOM 0 HE3 LYS B 69 -14.091 30.267 -7.293 1.00 23.03 H new ATOM 0 HZ1 LYS B 69 -14.758 31.795 -9.138 1.00 27.97 H new ATOM 0 HZ2 LYS B 69 -13.369 31.709 -8.719 1.00 27.97 H new ATOM 0 HZ3 LYS B 69 -13.823 30.968 -9.883 1.00 27.97 H new ATOM 1443 N VAL B 70 -11.727 27.090 -6.283 1.00 17.88 N ATOM 1444 CA VAL B 70 -11.477 27.188 -4.850 1.00 20.38 C ATOM 1445 C VAL B 70 -12.167 28.442 -4.309 1.00 20.74 C ATOM 1446 O VAL B 70 -11.998 29.532 -4.865 1.00 20.53 O ATOM 1447 CB VAL B 70 -9.939 27.274 -4.542 1.00 21.37 C ATOM 1448 CG1 VAL B 70 -9.703 27.480 -3.053 1.00 21.65 C ATOM 1449 CG2 VAL B 70 -9.241 25.999 -5.006 1.00 23.08 C ATOM 0 H VAL B 70 -11.668 27.839 -6.701 1.00 17.88 H new ATOM 0 HA VAL B 70 -11.829 26.392 -4.422 1.00 20.38 H new ATOM 0 HB VAL B 70 -9.571 28.032 -5.022 1.00 21.37 H new ATOM 0 HG11 VAL B 70 -8.750 27.531 -2.880 1.00 21.65 H new ATOM 0 HG12 VAL B 70 -10.127 28.305 -2.769 1.00 21.65 H new ATOM 0 HG13 VAL B 70 -10.081 26.736 -2.559 1.00 21.65 H new ATOM 0 HG21 VAL B 70 -8.293 26.060 -4.812 1.00 23.08 H new ATOM 0 HG22 VAL B 70 -9.617 25.236 -4.540 1.00 23.08 H new ATOM 0 HG23 VAL B 70 -9.369 25.889 -5.961 1.00 23.08 H new ATOM 1450 N GLY B 71 -12.965 28.283 -3.250 1.00 18.75 N ATOM 1451 CA GLY B 71 -13.627 29.424 -2.633 1.00 16.52 C ATOM 1452 C GLY B 71 -12.567 30.286 -1.959 1.00 15.24 C ATOM 1453 O GLY B 71 -11.482 29.797 -1.652 1.00 16.49 O ATOM 0 H GLY B 71 -13.133 27.526 -2.879 1.00 18.75 H new ATOM 0 HA2 GLY B 71 -14.106 29.939 -3.301 1.00 16.52 H new ATOM 0 HA3 GLY B 71 -14.282 29.124 -1.983 1.00 16.52 H new ATOM 1454 N SER B 72 -12.858 31.557 -1.712 1.00 15.55 N ATOM 1455 CA SER B 72 -11.859 32.441 -1.103 1.00 17.32 C ATOM 1456 C SER B 72 -11.393 32.068 0.308 1.00 17.98 C ATOM 1457 O SER B 72 -10.378 32.593 0.780 1.00 15.47 O ATOM 1458 CB SER B 72 -12.368 33.881 -1.101 1.00 20.53 C ATOM 1459 OG SER B 72 -13.580 33.985 -0.377 1.00 25.88 O ATOM 0 H SER B 72 -13.615 31.927 -1.885 1.00 15.55 H new ATOM 0 HA SER B 72 -11.074 32.334 -1.663 1.00 17.32 H new ATOM 0 HB2 SER B 72 -11.700 34.464 -0.707 1.00 20.53 H new ATOM 0 HB3 SER B 72 -12.504 34.181 -2.013 1.00 20.53 H new ATOM 0 HG SER B 72 -13.438 33.813 0.433 1.00 25.88 H new ATOM 1460 N PHE B 73 -12.123 31.170 0.977 1.00 17.09 N ATOM 1461 CA PHE B 73 -11.778 30.735 2.341 1.00 16.88 C ATOM 1462 C PHE B 73 -11.252 29.298 2.456 1.00 17.26 C ATOM 1463 O PHE B 73 -10.913 28.838 3.550 1.00 18.79 O ATOM 1464 CB PHE B 73 -12.992 30.891 3.257 1.00 17.29 C ATOM 1465 CG PHE B 73 -13.284 32.308 3.638 1.00 21.25 C ATOM 1466 CD1 PHE B 73 -12.784 32.840 4.823 1.00 20.77 C ATOM 1467 CD2 PHE B 73 -14.046 33.124 2.805 1.00 21.61 C ATOM 1468 CE1 PHE B 73 -13.037 34.169 5.178 1.00 24.14 C ATOM 1469 CE2 PHE B 73 -14.304 34.450 3.148 1.00 22.09 C ATOM 1470 CZ PHE B 73 -13.799 34.975 4.337 1.00 22.51 C ATOM 0 H PHE B 73 -12.829 30.796 0.657 1.00 17.09 H new ATOM 0 HA PHE B 73 -11.045 31.311 2.610 1.00 16.88 H new ATOM 0 HB2 PHE B 73 -13.770 30.517 2.815 1.00 17.29 H new ATOM 0 HB3 PHE B 73 -12.847 30.372 4.063 1.00 17.29 H new ATOM 0 HD1 PHE B 73 -12.274 32.304 5.387 1.00 20.77 H new ATOM 0 HD2 PHE B 73 -14.386 32.780 2.011 1.00 21.61 H new ATOM 0 HE1 PHE B 73 -12.698 34.513 5.973 1.00 24.14 H new ATOM 0 HE2 PHE B 73 -14.813 34.985 2.583 1.00 22.09 H new ATOM 0 HZ PHE B 73 -13.971 35.860 4.567 1.00 22.51 H new ATOM 1471 N ALA B 74 -11.184 28.594 1.333 1.00 15.65 N ATOM 1472 CA ALA B 74 -10.708 27.215 1.312 1.00 16.25 C ATOM 1473 C ALA B 74 -9.283 27.052 1.862 1.00 17.13 C ATOM 1474 O ALA B 74 -9.022 26.167 2.684 1.00 15.94 O ATOM 1475 CB ALA B 74 -10.769 26.680 -0.102 1.00 14.50 C ATOM 0 H ALA B 74 -11.412 28.900 0.562 1.00 15.65 H new ATOM 0 HA ALA B 74 -11.293 26.709 1.898 1.00 16.25 H new ATOM 0 HB1 ALA B 74 -10.452 25.763 -0.115 1.00 14.50 H new ATOM 0 HB2 ALA B 74 -11.685 26.710 -0.420 1.00 14.50 H new ATOM 0 HB3 ALA B 74 -10.209 27.223 -0.678 1.00 14.50 H new ATOM 1476 N ASN B 75 -8.357 27.881 1.386 1.00 17.52 N ATOM 1477 CA ASN B 75 -6.974 27.809 1.837 1.00 19.32 C ATOM 1478 C ASN B 75 -6.839 28.185 3.311 1.00 20.51 C ATOM 1479 O ASN B 75 -6.192 27.477 4.071 1.00 21.23 O ATOM 1480 CB ASN B 75 -6.098 28.717 0.976 1.00 21.88 C ATOM 1481 CG ASN B 75 -5.715 28.071 -0.330 1.00 25.20 C ATOM 1482 OD1 ASN B 75 -5.619 28.732 -1.358 1.00 28.26 O ATOM 1483 ND2 ASN B 75 -5.479 26.770 -0.293 1.00 26.10 N ATOM 0 H ASN B 75 -8.511 28.492 0.801 1.00 17.52 H new ATOM 0 HA ASN B 75 -6.677 26.890 1.742 1.00 19.32 H new ATOM 0 HB2 ASN B 75 -6.571 29.545 0.798 1.00 21.88 H new ATOM 0 HB3 ASN B 75 -5.295 28.949 1.468 1.00 21.88 H new ATOM 0 HD21 ASN B 75 -5.248 26.354 -1.010 1.00 26.10 H new ATOM 0 HD22 ASN B 75 -5.557 26.340 0.448 1.00 26.10 H new ATOM 1484 N SER B 76 -7.460 29.288 3.717 1.00 20.00 N ATOM 1485 CA SER B 76 -7.384 29.725 5.105 1.00 20.02 C ATOM 1486 C SER B 76 -7.939 28.668 6.055 1.00 19.57 C ATOM 1487 O SER B 76 -7.269 28.267 7.008 1.00 17.79 O ATOM 1488 CB SER B 76 -8.151 31.034 5.293 1.00 20.78 C ATOM 1489 OG SER B 76 -9.492 30.892 4.882 1.00 23.12 O ATOM 0 H SER B 76 -7.929 29.796 3.205 1.00 20.00 H new ATOM 0 HA SER B 76 -6.448 29.864 5.316 1.00 20.02 H new ATOM 0 HB2 SER B 76 -8.121 31.301 6.225 1.00 20.78 H new ATOM 0 HB3 SER B 76 -7.725 31.740 4.782 1.00 20.78 H new ATOM 0 HG SER B 76 -9.516 30.550 4.115 1.00 23.12 H new ATOM 1490 N ASN B 77 -9.163 28.219 5.788 1.00 18.22 N ATOM 1491 CA ASN B 77 -9.816 27.213 6.622 1.00 17.71 C ATOM 1492 C ASN B 77 -9.070 25.888 6.707 1.00 17.23 C ATOM 1493 O ASN B 77 -9.023 25.257 7.763 1.00 16.19 O ATOM 1494 CB ASN B 77 -11.228 26.938 6.110 1.00 15.69 C ATOM 1495 CG ASN B 77 -12.204 28.006 6.513 1.00 17.92 C ATOM 1496 OD1 ASN B 77 -13.412 27.826 6.401 1.00 17.63 O ATOM 1497 ND2 ASN B 77 -11.689 29.134 6.987 1.00 14.46 N ATOM 0 H ASN B 77 -9.636 28.487 5.122 1.00 18.22 H new ATOM 0 HA ASN B 77 -9.829 27.592 7.515 1.00 17.71 H new ATOM 0 HB2 ASN B 77 -11.210 26.869 5.143 1.00 15.69 H new ATOM 0 HB3 ASN B 77 -11.531 26.082 6.450 1.00 15.69 H new ATOM 0 HD21 ASN B 77 -12.208 29.775 7.230 1.00 14.46 H new ATOM 0 HD22 ASN B 77 -10.836 29.224 7.051 1.00 14.46 H new ATOM 1498 N LEU B 78 -8.496 25.450 5.599 1.00 16.54 N ATOM 1499 CA LEU B 78 -7.794 24.182 5.612 1.00 17.61 C ATOM 1500 C LEU B 78 -6.457 24.283 6.352 1.00 18.30 C ATOM 1501 O LEU B 78 -6.157 23.460 7.221 1.00 19.27 O ATOM 1502 CB LEU B 78 -7.565 23.706 4.181 1.00 17.88 C ATOM 1503 CG LEU B 78 -6.978 22.306 4.021 1.00 18.16 C ATOM 1504 CD1 LEU B 78 -8.022 21.265 4.401 1.00 16.33 C ATOM 1505 CD2 LEU B 78 -6.524 22.111 2.584 1.00 20.47 C ATOM 0 H LEU B 78 -8.500 25.862 4.844 1.00 16.54 H new ATOM 0 HA LEU B 78 -8.345 23.539 6.086 1.00 17.61 H new ATOM 0 HB2 LEU B 78 -8.413 23.737 3.710 1.00 17.88 H new ATOM 0 HB3 LEU B 78 -6.973 24.337 3.741 1.00 17.88 H new ATOM 0 HG LEU B 78 -6.213 22.202 4.608 1.00 18.16 H new ATOM 0 HD11 LEU B 78 -7.646 20.377 4.298 1.00 16.33 H new ATOM 0 HD12 LEU B 78 -8.290 21.397 5.324 1.00 16.33 H new ATOM 0 HD13 LEU B 78 -8.796 21.357 3.823 1.00 16.33 H new ATOM 0 HD21 LEU B 78 -6.151 21.222 2.480 1.00 20.47 H new ATOM 0 HD22 LEU B 78 -7.282 22.214 1.988 1.00 20.47 H new ATOM 0 HD23 LEU B 78 -5.849 22.772 2.365 1.00 20.47 H new ATOM 1506 N GLN B 79 -5.666 25.296 6.012 1.00 17.98 N ATOM 1507 CA GLN B 79 -4.352 25.503 6.623 1.00 18.57 C ATOM 1508 C GLN B 79 -4.398 25.666 8.132 1.00 18.32 C ATOM 1509 O GLN B 79 -3.532 25.170 8.862 1.00 17.74 O ATOM 1510 CB GLN B 79 -3.695 26.764 6.068 1.00 18.28 C ATOM 1511 CG GLN B 79 -3.442 26.778 4.591 1.00 21.99 C ATOM 1512 CD GLN B 79 -2.918 28.122 4.137 1.00 19.49 C ATOM 1513 OE1 GLN B 79 -3.080 29.127 4.829 1.00 23.16 O ATOM 1514 NE2 GLN B 79 -2.303 28.153 2.965 1.00 22.77 N ATOM 0 H GLN B 79 -5.874 25.884 5.420 1.00 17.98 H new ATOM 0 HA GLN B 79 -3.849 24.702 6.408 1.00 18.57 H new ATOM 0 HB2 GLN B 79 -4.256 27.524 6.289 1.00 18.28 H new ATOM 0 HB3 GLN B 79 -2.849 26.894 6.524 1.00 18.28 H new ATOM 0 HG2 GLN B 79 -2.802 26.085 4.364 1.00 21.99 H new ATOM 0 HG3 GLN B 79 -4.263 26.572 4.118 1.00 21.99 H new ATOM 0 HE21 GLN B 79 -2.209 27.430 2.510 1.00 22.77 H new ATOM 0 HE22 GLN B 79 -1.998 28.897 2.659 1.00 22.77 H new ATOM 1515 N SER B 80 -5.410 26.388 8.587 1.00 17.35 N ATOM 1516 CA SER B 80 -5.551 26.688 9.998 1.00 18.17 C ATOM 1517 C SER B 80 -6.120 25.611 10.899 1.00 18.21 C ATOM 1518 O SER B 80 -5.558 25.328 11.957 1.00 18.44 O ATOM 1519 CB SER B 80 -6.395 27.954 10.163 1.00 18.65 C ATOM 1520 OG SER B 80 -7.690 27.758 9.618 1.00 19.06 O ATOM 0 H SER B 80 -6.030 26.715 8.089 1.00 17.35 H new ATOM 0 HA SER B 80 -4.634 26.788 10.298 1.00 18.17 H new ATOM 0 HB2 SER B 80 -6.464 28.184 11.103 1.00 18.65 H new ATOM 0 HB3 SER B 80 -5.961 28.700 9.720 1.00 18.65 H new ATOM 0 HG SER B 80 -7.669 27.896 8.790 1.00 19.06 H new ATOM 1521 N ILE B 81 -7.224 25.001 10.485 1.00 19.45 N ATOM 1522 CA ILE B 81 -7.884 24.014 11.324 1.00 18.26 C ATOM 1523 C ILE B 81 -8.311 22.719 10.600 1.00 18.23 C ATOM 1524 O ILE B 81 -9.013 21.877 11.181 1.00 18.29 O ATOM 1525 CB ILE B 81 -9.103 24.701 12.022 1.00 19.76 C ATOM 1526 CG1 ILE B 81 -9.474 23.978 13.320 1.00 21.24 C ATOM 1527 CG2 ILE B 81 -10.279 24.765 11.081 1.00 19.46 C ATOM 1528 CD1 ILE B 81 -8.500 24.232 14.447 1.00 18.07 C ATOM 0 H ILE B 81 -7.604 25.144 9.727 1.00 19.45 H new ATOM 0 HA ILE B 81 -7.231 23.711 11.974 1.00 18.26 H new ATOM 0 HB ILE B 81 -8.850 25.608 12.255 1.00 19.76 H new ATOM 0 HG12 ILE B 81 -10.360 24.259 13.597 1.00 21.24 H new ATOM 0 HG13 ILE B 81 -9.520 23.024 13.150 1.00 21.24 H new ATOM 0 HG21 ILE B 81 -11.027 25.193 11.526 1.00 19.46 H new ATOM 0 HG22 ILE B 81 -10.036 25.277 10.294 1.00 19.46 H new ATOM 0 HG23 ILE B 81 -10.532 23.866 10.817 1.00 19.46 H new ATOM 0 HD11 ILE B 81 -8.787 23.750 15.238 1.00 18.07 H new ATOM 0 HD12 ILE B 81 -7.617 23.928 14.186 1.00 18.07 H new ATOM 0 HD13 ILE B 81 -8.470 25.182 14.641 1.00 18.07 H new ATOM 1529 N ALA B 82 -7.875 22.562 9.348 1.00 16.25 N ATOM 1530 CA ALA B 82 -8.180 21.377 8.543 1.00 15.25 C ATOM 1531 C ALA B 82 -9.646 21.229 8.167 1.00 14.31 C ATOM 1532 O ALA B 82 -10.128 20.110 7.952 1.00 17.06 O ATOM 1533 CB ALA B 82 -7.713 20.130 9.268 1.00 14.99 C ATOM 0 H ALA B 82 -7.391 23.144 8.940 1.00 16.25 H new ATOM 0 HA ALA B 82 -7.701 21.495 7.708 1.00 15.25 H new ATOM 0 HB1 ALA B 82 -7.917 19.348 8.732 1.00 14.99 H new ATOM 0 HB2 ALA B 82 -6.755 20.180 9.415 1.00 14.99 H new ATOM 0 HB3 ALA B 82 -8.167 20.063 10.122 1.00 14.99 H new ATOM 1534 N HIS B 83 -10.358 22.350 8.082 1.00 13.40 N ATOM 1535 CA HIS B 83 -11.777 22.330 7.723 1.00 13.38 C ATOM 1536 C HIS B 83 -11.966 22.779 6.278 1.00 15.45 C ATOM 1537 O HIS B 83 -11.323 23.722 5.824 1.00 15.46 O ATOM 1538 CB HIS B 83 -12.577 23.245 8.660 1.00 15.35 C ATOM 1539 CG HIS B 83 -14.006 23.440 8.254 1.00 16.19 C ATOM 1540 ND1 HIS B 83 -14.844 22.390 7.934 1.00 17.81 N ATOM 1541 CD2 HIS B 83 -14.753 24.564 8.142 1.00 16.32 C ATOM 1542 CE1 HIS B 83 -16.045 22.860 7.644 1.00 14.49 C ATOM 1543 NE2 HIS B 83 -16.017 24.177 7.763 1.00 13.12 N ATOM 0 H HIS B 83 -10.039 23.135 8.228 1.00 13.40 H new ATOM 0 HA HIS B 83 -12.103 21.421 7.815 1.00 13.38 H new ATOM 0 HB2 HIS B 83 -12.553 22.874 9.556 1.00 15.35 H new ATOM 0 HB3 HIS B 83 -12.141 24.111 8.700 1.00 15.35 H new ATOM 0 HD1 HIS B 83 -14.620 21.560 7.925 1.00 17.81 H new ATOM 0 HD2 HIS B 83 -14.465 25.435 8.293 1.00 16.32 H new ATOM 0 HE1 HIS B 83 -16.784 22.351 7.398 1.00 14.49 H new ATOM 1544 N SER B 84 -12.839 22.092 5.555 1.00 15.65 N ATOM 1545 CA SER B 84 -13.095 22.435 4.162 1.00 17.45 C ATOM 1546 C SER B 84 -14.326 21.703 3.660 1.00 17.29 C ATOM 1547 O SER B 84 -14.828 20.791 4.316 1.00 18.49 O ATOM 1548 CB SER B 84 -11.899 22.058 3.296 1.00 16.27 C ATOM 1549 OG SER B 84 -12.061 22.558 1.988 1.00 17.66 O ATOM 0 H SER B 84 -13.294 21.424 5.850 1.00 15.65 H new ATOM 0 HA SER B 84 -13.243 23.392 4.106 1.00 17.45 H new ATOM 0 HB2 SER B 84 -11.085 22.414 3.686 1.00 16.27 H new ATOM 0 HB3 SER B 84 -11.803 21.093 3.270 1.00 16.27 H new ATOM 0 HG SER B 84 -12.530 23.255 2.010 1.00 17.66 H new ATOM 1550 N THR B 85 -14.807 22.105 2.491 1.00 16.41 N ATOM 1551 CA THR B 85 -15.982 21.487 1.890 1.00 15.04 C ATOM 1552 C THR B 85 -15.674 20.994 0.470 1.00 16.06 C ATOM 1553 O THR B 85 -15.562 21.795 -0.456 1.00 15.70 O ATOM 1554 CB THR B 85 -17.133 22.487 1.829 1.00 14.52 C ATOM 1555 OG1 THR B 85 -17.394 22.990 3.144 1.00 16.65 O ATOM 1556 CG2 THR B 85 -18.388 21.831 1.284 1.00 14.78 C ATOM 0 H THR B 85 -14.464 22.741 2.025 1.00 16.41 H new ATOM 0 HA THR B 85 -16.234 20.730 2.442 1.00 15.04 H new ATOM 0 HB THR B 85 -16.881 23.214 1.238 1.00 14.52 H new ATOM 0 HG1 THR B 85 -17.758 22.391 3.606 1.00 16.65 H new ATOM 0 HG21 THR B 85 -19.106 22.482 1.253 1.00 14.78 H new ATOM 0 HG22 THR B 85 -18.216 21.497 0.390 1.00 14.78 H new ATOM 0 HG23 THR B 85 -18.644 21.094 1.860 1.00 14.78 H new ATOM 1557 N LEU B 86 -15.526 19.678 0.313 1.00 16.62 N ATOM 1558 CA LEU B 86 -15.236 19.068 -0.991 1.00 16.92 C ATOM 1559 C LEU B 86 -16.534 18.990 -1.801 1.00 17.59 C ATOM 1560 O LEU B 86 -17.519 18.431 -1.339 1.00 17.60 O ATOM 1561 CB LEU B 86 -14.666 17.660 -0.808 1.00 15.44 C ATOM 1562 CG LEU B 86 -13.357 17.500 -0.023 1.00 18.24 C ATOM 1563 CD1 LEU B 86 -12.929 16.041 -0.084 1.00 17.41 C ATOM 1564 CD2 LEU B 86 -12.261 18.372 -0.603 1.00 16.44 C ATOM 0 H LEU B 86 -15.590 19.112 0.958 1.00 16.62 H new ATOM 0 HA LEU B 86 -14.581 19.610 -1.458 1.00 16.92 H new ATOM 0 HB2 LEU B 86 -15.342 17.122 -0.368 1.00 15.44 H new ATOM 0 HB3 LEU B 86 -14.530 17.279 -1.690 1.00 15.44 H new ATOM 0 HG LEU B 86 -13.506 17.775 0.895 1.00 18.24 H new ATOM 0 HD11 LEU B 86 -12.102 15.925 0.409 1.00 17.41 H new ATOM 0 HD12 LEU B 86 -13.619 15.484 0.309 1.00 17.41 H new ATOM 0 HD13 LEU B 86 -12.793 15.782 -1.009 1.00 17.41 H new ATOM 0 HD21 LEU B 86 -11.447 18.252 -0.090 1.00 16.44 H new ATOM 0 HD22 LEU B 86 -12.101 18.120 -1.526 1.00 16.44 H new ATOM 0 HD23 LEU B 86 -12.533 19.302 -0.565 1.00 16.44 H new ATOM 1565 N ILE B 87 -16.530 19.539 -3.006 1.00 16.58 N ATOM 1566 CA ILE B 87 -17.728 19.549 -3.827 1.00 17.39 C ATOM 1567 C ILE B 87 -17.464 18.837 -5.153 1.00 18.74 C ATOM 1568 O ILE B 87 -16.742 19.340 -6.009 1.00 16.97 O ATOM 1569 CB ILE B 87 -18.179 21.002 -4.057 1.00 17.17 C ATOM 1570 CG1 ILE B 87 -18.505 21.642 -2.700 1.00 17.13 C ATOM 1571 CG2 ILE B 87 -19.381 21.042 -4.985 1.00 19.22 C ATOM 1572 CD1 ILE B 87 -18.492 23.172 -2.698 1.00 17.24 C ATOM 0 H ILE B 87 -15.844 19.911 -3.367 1.00 16.58 H new ATOM 0 HA ILE B 87 -18.439 19.073 -3.371 1.00 17.39 H new ATOM 0 HB ILE B 87 -17.466 21.505 -4.481 1.00 17.17 H new ATOM 0 HG12 ILE B 87 -19.380 21.337 -2.414 1.00 17.13 H new ATOM 0 HG13 ILE B 87 -17.865 21.324 -2.044 1.00 17.13 H new ATOM 0 HG21 ILE B 87 -19.654 21.963 -5.121 1.00 19.22 H new ATOM 0 HG22 ILE B 87 -19.145 20.646 -5.838 1.00 19.22 H new ATOM 0 HG23 ILE B 87 -20.113 20.543 -4.589 1.00 19.22 H new ATOM 0 HD11 ILE B 87 -18.706 23.496 -1.809 1.00 17.24 H new ATOM 0 HD12 ILE B 87 -17.612 23.489 -2.954 1.00 17.24 H new ATOM 0 HD13 ILE B 87 -19.150 23.502 -3.330 1.00 17.24 H new ATOM 1573 N PHE B 88 -18.055 17.655 -5.307 1.00 20.10 N ATOM 1574 CA PHE B 88 -17.868 16.837 -6.501 1.00 23.37 C ATOM 1575 C PHE B 88 -18.837 17.212 -7.621 1.00 25.70 C ATOM 1576 O PHE B 88 -19.652 16.400 -8.069 1.00 26.90 O ATOM 1577 CB PHE B 88 -18.016 15.370 -6.117 1.00 22.08 C ATOM 1578 CG PHE B 88 -17.101 14.957 -4.999 1.00 22.25 C ATOM 1579 CD1 PHE B 88 -15.818 14.481 -5.266 1.00 21.97 C ATOM 1580 CD2 PHE B 88 -17.499 15.113 -3.669 1.00 22.14 C ATOM 1581 CE1 PHE B 88 -14.944 14.173 -4.220 1.00 23.37 C ATOM 1582 CE2 PHE B 88 -16.636 14.810 -2.626 1.00 21.35 C ATOM 1583 CZ PHE B 88 -15.358 14.340 -2.895 1.00 20.72 C ATOM 0 H PHE B 88 -18.577 17.304 -4.720 1.00 20.10 H new ATOM 0 HA PHE B 88 -16.978 16.999 -6.850 1.00 23.37 H new ATOM 0 HB2 PHE B 88 -18.935 15.201 -5.855 1.00 22.08 H new ATOM 0 HB3 PHE B 88 -17.837 14.818 -6.894 1.00 22.08 H new ATOM 0 HD1 PHE B 88 -15.542 14.368 -6.147 1.00 21.97 H new ATOM 0 HD2 PHE B 88 -18.355 15.424 -3.480 1.00 22.14 H new ATOM 0 HE1 PHE B 88 -14.089 13.858 -4.405 1.00 23.37 H new ATOM 0 HE2 PHE B 88 -16.914 14.922 -1.746 1.00 21.35 H new ATOM 0 HZ PHE B 88 -14.779 14.137 -2.196 1.00 20.72 H new ATOM 1584 N ALA B 89 -18.715 18.458 -8.073 1.00 25.72 N ATOM 1585 CA ALA B 89 -19.549 19.019 -9.127 1.00 26.16 C ATOM 1586 C ALA B 89 -18.847 20.255 -9.678 1.00 27.12 C ATOM 1587 O ALA B 89 -17.784 20.657 -9.189 1.00 26.99 O ATOM 1588 CB ALA B 89 -20.910 19.407 -8.558 1.00 24.13 C ATOM 0 H ALA B 89 -18.132 19.011 -7.767 1.00 25.72 H new ATOM 0 HA ALA B 89 -19.684 18.367 -9.832 1.00 26.16 H new ATOM 0 HB1 ALA B 89 -21.461 19.780 -9.263 1.00 24.13 H new ATOM 0 HB2 ALA B 89 -21.343 18.621 -8.191 1.00 24.13 H new ATOM 0 HB3 ALA B 89 -20.792 20.067 -7.857 1.00 24.13 H new ATOM 1589 N ASP B 90 -19.448 20.867 -10.689 1.00 26.79 N ATOM 1590 CA ASP B 90 -18.869 22.058 -11.278 1.00 27.94 C ATOM 1591 C ASP B 90 -19.201 23.285 -10.430 1.00 26.76 C ATOM 1592 O ASP B 90 -20.271 23.367 -9.826 1.00 25.78 O ATOM 1593 CB ASP B 90 -19.402 22.245 -12.697 1.00 31.31 C ATOM 1594 CG ASP B 90 -19.339 20.972 -13.504 1.00 34.14 C ATOM 1595 OD1 ASP B 90 -18.291 20.294 -13.454 1.00 37.33 O ATOM 1596 OD2 ASP B 90 -20.330 20.649 -14.189 1.00 39.09 O ATOM 0 H ASP B 90 -20.187 20.609 -11.045 1.00 26.79 H new ATOM 0 HA ASP B 90 -17.905 21.955 -11.310 1.00 27.94 H new ATOM 0 HB2 ASP B 90 -20.320 22.555 -12.657 1.00 31.31 H new ATOM 0 HB3 ASP B 90 -18.888 22.935 -13.145 1.00 31.31 H new ATOM 1597 N ALA B 91 -18.278 24.239 -10.389 1.00 26.01 N ATOM 1598 CA ALA B 91 -18.488 25.456 -9.622 1.00 25.78 C ATOM 1599 C ALA B 91 -19.695 26.194 -10.177 1.00 25.07 C ATOM 1600 O ALA B 91 -19.979 26.126 -11.368 1.00 25.30 O ATOM 1601 CB ALA B 91 -17.256 26.343 -9.713 1.00 24.50 C ATOM 0 H ALA B 91 -17.523 24.199 -10.799 1.00 26.01 H new ATOM 0 HA ALA B 91 -18.645 25.230 -8.692 1.00 25.78 H new ATOM 0 HB1 ALA B 91 -17.402 27.153 -9.200 1.00 24.50 H new ATOM 0 HB2 ALA B 91 -16.488 25.869 -9.357 1.00 24.50 H new ATOM 0 HB3 ALA B 91 -17.091 26.574 -10.641 1.00 24.50 H new ATOM 1602 N PRO B 92 -20.439 26.893 -9.320 1.00 26.32 N ATOM 1603 CA PRO B 92 -21.585 27.603 -9.880 1.00 27.58 C ATOM 1604 C PRO B 92 -21.106 28.714 -10.820 1.00 30.01 C ATOM 1605 O PRO B 92 -20.009 29.247 -10.652 1.00 29.71 O ATOM 1606 CB PRO B 92 -22.304 28.128 -8.639 1.00 25.82 C ATOM 1607 CG PRO B 92 -21.210 28.268 -7.644 1.00 25.96 C ATOM 1608 CD PRO B 92 -20.414 27.010 -7.855 1.00 25.38 C ATOM 0 HA PRO B 92 -22.172 27.057 -10.426 1.00 27.58 H new ATOM 0 HB2 PRO B 92 -22.742 28.976 -8.811 1.00 25.82 H new ATOM 0 HB3 PRO B 92 -22.988 27.512 -8.334 1.00 25.82 H new ATOM 0 HG2 PRO B 92 -20.677 29.063 -7.803 1.00 25.96 H new ATOM 0 HG3 PRO B 92 -21.552 28.331 -6.738 1.00 25.96 H new ATOM 0 HD2 PRO B 92 -19.511 27.087 -7.510 1.00 25.38 H new ATOM 0 HD3 PRO B 92 -20.820 26.244 -7.420 1.00 25.38 H new ATOM 1609 N THR B 93 -21.914 29.042 -11.825 1.00 32.43 N ATOM 1610 CA THR B 93 -21.548 30.093 -12.771 1.00 34.36 C ATOM 1611 C THR B 93 -21.578 31.455 -12.081 1.00 33.83 C ATOM 1612 O THR B 93 -20.743 32.319 -12.364 1.00 32.90 O ATOM 1613 CB THR B 93 -22.512 30.121 -13.962 1.00 36.74 C ATOM 1614 OG1 THR B 93 -23.851 30.292 -13.482 1.00 40.28 O ATOM 1615 CG2 THR B 93 -22.413 28.824 -14.756 1.00 34.50 C ATOM 0 H THR B 93 -22.675 28.670 -11.976 1.00 32.43 H new ATOM 0 HA THR B 93 -20.653 29.903 -13.092 1.00 34.36 H new ATOM 0 HB THR B 93 -22.275 30.860 -14.544 1.00 36.74 H new ATOM 0 HG1 THR B 93 -24.187 29.541 -13.315 1.00 40.28 H new ATOM 0 HG21 THR B 93 -23.028 28.856 -15.506 1.00 34.50 H new ATOM 0 HG22 THR B 93 -21.507 28.714 -15.085 1.00 34.50 H new ATOM 0 HG23 THR B 93 -22.641 28.075 -14.183 1.00 34.50 H new ATOM 1616 N ASP B 94 -22.547 31.633 -11.182 1.00 32.93 N ATOM 1617 CA ASP B 94 -22.691 32.868 -10.418 1.00 33.30 C ATOM 1618 C ASP B 94 -21.691 32.839 -9.262 1.00 33.28 C ATOM 1619 O ASP B 94 -21.807 32.026 -8.346 1.00 31.92 O ATOM 1620 CB ASP B 94 -24.108 32.991 -9.854 1.00 34.02 C ATOM 1621 CG ASP B 94 -24.342 34.317 -9.149 1.00 37.69 C ATOM 1622 OD1 ASP B 94 -23.358 34.921 -8.671 1.00 37.14 O ATOM 1623 OD2 ASP B 94 -25.512 34.752 -9.061 1.00 38.77 O ATOM 0 H ASP B 94 -23.140 31.038 -10.999 1.00 32.93 H new ATOM 0 HA ASP B 94 -22.524 33.626 -10.999 1.00 33.30 H new ATOM 0 HB2 ASP B 94 -24.749 32.894 -10.575 1.00 34.02 H new ATOM 0 HB3 ASP B 94 -24.269 32.265 -9.232 1.00 34.02 H new ATOM 1624 N GLU B 95 -20.710 33.731 -9.305 1.00 33.40 N ATOM 1625 CA GLU B 95 -19.691 33.795 -8.263 1.00 33.63 C ATOM 1626 C GLU B 95 -20.201 33.918 -6.827 1.00 33.12 C ATOM 1627 O GLU B 95 -19.529 33.479 -5.895 1.00 30.91 O ATOM 1628 CB GLU B 95 -18.727 34.946 -8.556 1.00 34.55 C ATOM 1629 CG GLU B 95 -17.661 34.578 -9.563 1.00 36.04 C ATOM 1630 CD GLU B 95 -16.679 33.558 -9.013 1.00 36.87 C ATOM 1631 OE1 GLU B 95 -16.329 32.618 -9.759 1.00 35.86 O ATOM 1632 OE2 GLU B 95 -16.254 33.704 -7.841 1.00 35.57 O ATOM 0 H GLU B 95 -20.615 34.312 -9.932 1.00 33.40 H new ATOM 0 HA GLU B 95 -19.251 32.931 -8.300 1.00 33.63 H new ATOM 0 HB2 GLU B 95 -19.230 35.707 -8.887 1.00 34.55 H new ATOM 0 HB3 GLU B 95 -18.302 35.225 -7.730 1.00 34.55 H new ATOM 0 HG2 GLU B 95 -18.082 34.222 -10.361 1.00 36.04 H new ATOM 0 HG3 GLU B 95 -17.180 35.377 -9.829 1.00 36.04 H new ATOM 1633 N ASP B 96 -21.378 34.508 -6.639 1.00 32.69 N ATOM 1634 CA ASP B 96 -21.913 34.684 -5.290 1.00 32.49 C ATOM 1635 C ASP B 96 -22.425 33.383 -4.686 1.00 31.67 C ATOM 1636 O ASP B 96 -22.640 33.283 -3.474 1.00 32.22 O ATOM 1637 CB ASP B 96 -23.047 35.712 -5.291 1.00 35.68 C ATOM 1638 CG ASP B 96 -22.673 36.998 -5.998 1.00 38.74 C ATOM 1639 OD1 ASP B 96 -21.568 37.526 -5.741 1.00 39.74 O ATOM 1640 OD2 ASP B 96 -23.495 37.487 -6.805 1.00 40.40 O ATOM 0 H ASP B 96 -21.878 34.811 -7.270 1.00 32.69 H new ATOM 0 HA ASP B 96 -21.176 34.998 -4.744 1.00 32.49 H new ATOM 0 HB2 ASP B 96 -23.827 35.327 -5.720 1.00 35.68 H new ATOM 0 HB3 ASP B 96 -23.297 35.912 -4.375 1.00 35.68 H new ATOM 1641 N ASP B 97 -22.627 32.386 -5.536 1.00 30.96 N ATOM 1642 CA ASP B 97 -23.120 31.097 -5.072 1.00 31.08 C ATOM 1643 C ASP B 97 -21.988 30.116 -4.756 1.00 29.57 C ATOM 1644 O ASP B 97 -22.235 29.003 -4.289 1.00 29.16 O ATOM 1645 CB ASP B 97 -24.070 30.502 -6.115 1.00 34.16 C ATOM 1646 CG ASP B 97 -25.261 31.411 -6.404 1.00 38.68 C ATOM 1647 OD1 ASP B 97 -25.822 31.985 -5.443 1.00 40.52 O ATOM 1648 OD2 ASP B 97 -25.642 31.542 -7.589 1.00 39.88 O ATOM 0 H ASP B 97 -22.486 32.434 -6.383 1.00 30.96 H new ATOM 0 HA ASP B 97 -23.599 31.248 -4.242 1.00 31.08 H new ATOM 0 HB2 ASP B 97 -23.582 30.341 -6.938 1.00 34.16 H new ATOM 0 HB3 ASP B 97 -24.391 29.642 -5.802 1.00 34.16 H new ATOM 1649 N VAL B 98 -20.750 30.541 -5.008 1.00 26.43 N ATOM 1650 CA VAL B 98 -19.567 29.724 -4.745 1.00 23.16 C ATOM 1651 C VAL B 98 -19.404 29.516 -3.238 1.00 22.90 C ATOM 1652 O VAL B 98 -19.414 30.479 -2.473 1.00 20.11 O ATOM 1653 CB VAL B 98 -18.290 30.409 -5.299 1.00 21.85 C ATOM 1654 CG1 VAL B 98 -17.040 29.721 -4.768 1.00 22.06 C ATOM 1655 CG2 VAL B 98 -18.291 30.351 -6.813 1.00 21.26 C ATOM 0 H VAL B 98 -20.573 31.315 -5.338 1.00 26.43 H new ATOM 0 HA VAL B 98 -19.686 28.869 -5.188 1.00 23.16 H new ATOM 0 HB VAL B 98 -18.287 31.334 -5.008 1.00 21.85 H new ATOM 0 HG11 VAL B 98 -16.252 30.161 -5.124 1.00 22.06 H new ATOM 0 HG12 VAL B 98 -17.029 29.772 -3.799 1.00 22.06 H new ATOM 0 HG13 VAL B 98 -17.041 28.791 -5.042 1.00 22.06 H new ATOM 0 HG21 VAL B 98 -17.491 30.780 -7.154 1.00 21.26 H new ATOM 0 HG22 VAL B 98 -18.308 29.425 -7.102 1.00 21.26 H new ATOM 0 HG23 VAL B 98 -19.074 30.810 -7.154 1.00 21.26 H new ATOM 1656 N ILE B 99 -19.262 28.261 -2.814 1.00 21.85 N ATOM 1657 CA ILE B 99 -19.097 27.962 -1.397 1.00 22.28 C ATOM 1658 C ILE B 99 -17.757 28.525 -0.934 1.00 21.05 C ATOM 1659 O ILE B 99 -16.699 28.182 -1.475 1.00 18.68 O ATOM 1660 CB ILE B 99 -19.116 26.440 -1.126 1.00 22.26 C ATOM 1661 CG1 ILE B 99 -20.347 25.797 -1.779 1.00 24.71 C ATOM 1662 CG2 ILE B 99 -19.066 26.187 0.377 1.00 21.59 C ATOM 1663 CD1 ILE B 99 -21.655 26.432 -1.415 1.00 24.83 C ATOM 0 H ILE B 99 -19.259 27.573 -3.330 1.00 21.85 H new ATOM 0 HA ILE B 99 -19.835 28.364 -0.913 1.00 22.28 H new ATOM 0 HB ILE B 99 -18.334 26.027 -1.524 1.00 22.26 H new ATOM 0 HG12 ILE B 99 -20.242 25.832 -2.743 1.00 24.71 H new ATOM 0 HG13 ILE B 99 -20.377 24.860 -1.531 1.00 24.71 H new ATOM 0 HG21 ILE B 99 -19.078 25.232 0.545 1.00 21.59 H new ATOM 0 HG22 ILE B 99 -18.253 26.569 0.743 1.00 21.59 H new ATOM 0 HG23 ILE B 99 -19.835 26.599 0.800 1.00 21.59 H new ATOM 0 HD11 ILE B 99 -22.377 25.968 -1.867 1.00 24.83 H new ATOM 0 HD12 ILE B 99 -21.786 26.376 -0.456 1.00 24.83 H new ATOM 0 HD13 ILE B 99 -21.649 27.363 -1.686 1.00 24.83 H new ATOM 1664 N ARG B 100 -17.817 29.381 0.079 1.00 21.39 N ATOM 1665 CA ARG B 100 -16.635 30.041 0.624 1.00 19.61 C ATOM 1666 C ARG B 100 -15.397 29.176 0.843 1.00 17.87 C ATOM 1667 O ARG B 100 -14.309 29.539 0.386 1.00 17.09 O ATOM 1668 CB ARG B 100 -17.023 30.779 1.906 1.00 25.28 C ATOM 1669 CG ARG B 100 -17.695 32.109 1.615 1.00 29.75 C ATOM 1670 CD ARG B 100 -18.608 32.599 2.737 1.00 34.09 C ATOM 1671 NE ARG B 100 -18.856 34.035 2.602 1.00 40.61 N ATOM 1672 CZ ARG B 100 -19.826 34.717 3.212 1.00 42.17 C ATOM 1673 NH1 ARG B 100 -19.940 36.024 3.010 1.00 44.08 N ATOM 1674 NH2 ARG B 100 -20.693 34.102 4.002 1.00 43.67 N ATOM 0 H ARG B 100 -18.550 29.598 0.473 1.00 21.39 H new ATOM 0 HA ARG B 100 -16.347 30.654 -0.071 1.00 19.61 H new ATOM 0 HB2 ARG B 100 -17.621 30.223 2.430 1.00 25.28 H new ATOM 0 HB3 ARG B 100 -16.230 30.929 2.445 1.00 25.28 H new ATOM 0 HG2 ARG B 100 -17.012 32.778 1.451 1.00 29.75 H new ATOM 0 HG3 ARG B 100 -18.214 32.028 0.800 1.00 29.75 H new ATOM 0 HD2 ARG B 100 -19.449 32.116 2.712 1.00 34.09 H new ATOM 0 HD3 ARG B 100 -18.200 32.415 3.598 1.00 34.09 H new ATOM 0 HE ARG B 100 -18.331 34.477 2.084 1.00 40.61 H new ATOM 0 HH11 ARG B 100 -19.389 36.428 2.487 1.00 44.08 H new ATOM 0 HH12 ARG B 100 -20.564 36.467 3.402 1.00 44.08 H new ATOM 0 HH21 ARG B 100 -20.634 33.253 4.126 1.00 43.67 H new ATOM 0 HH22 ARG B 100 -21.315 34.552 4.391 1.00 43.67 H new ATOM 1675 N ASN B 101 -15.524 28.051 1.540 1.00 16.90 N ATOM 1676 CA ASN B 101 -14.347 27.210 1.730 1.00 16.30 C ATOM 1677 C ASN B 101 -14.449 25.989 0.836 1.00 17.38 C ATOM 1678 O ASN B 101 -13.896 24.924 1.134 1.00 17.74 O ATOM 1679 CB ASN B 101 -14.164 26.801 3.205 1.00 16.39 C ATOM 1680 CG ASN B 101 -15.275 25.891 3.733 1.00 15.71 C ATOM 1681 OD1 ASN B 101 -15.228 25.483 4.901 1.00 20.30 O ATOM 1682 ND2 ASN B 101 -16.262 25.578 2.905 1.00 10.91 N ATOM 0 H ASN B 101 -16.251 27.765 1.898 1.00 16.90 H new ATOM 0 HA ASN B 101 -13.562 27.723 1.483 1.00 16.30 H new ATOM 0 HB2 ASN B 101 -13.312 26.348 3.304 1.00 16.39 H new ATOM 0 HB3 ASN B 101 -14.125 27.601 3.752 1.00 16.39 H new ATOM 0 HD21 ASN B 101 -16.904 25.072 3.173 1.00 10.91 H new ATOM 0 HD22 ASN B 101 -16.260 25.881 2.100 1.00 10.91 H new ATOM 1683 N GLY B 102 -15.155 26.161 -0.280 1.00 16.70 N ATOM 1684 CA GLY B 102 -15.328 25.066 -1.211 1.00 15.23 C ATOM 1685 C GLY B 102 -14.079 24.744 -2.004 1.00 14.07 C ATOM 1686 O GLY B 102 -13.254 25.601 -2.294 1.00 16.15 O ATOM 0 H GLY B 102 -15.535 26.897 -0.509 1.00 16.70 H new ATOM 0 HA2 GLY B 102 -15.604 24.275 -0.722 1.00 15.23 H new ATOM 0 HA3 GLY B 102 -16.046 25.284 -1.826 1.00 15.23 H new ATOM 1687 N VAL B 103 -13.940 23.471 -2.325 1.00 14.84 N ATOM 1688 CA VAL B 103 -12.849 22.963 -3.130 1.00 12.84 C ATOM 1689 C VAL B 103 -13.611 22.069 -4.100 1.00 13.84 C ATOM 1690 O VAL B 103 -13.964 20.942 -3.773 1.00 13.61 O ATOM 1691 CB VAL B 103 -11.869 22.137 -2.292 1.00 15.28 C ATOM 1692 CG1 VAL B 103 -10.946 21.351 -3.202 1.00 13.18 C ATOM 1693 CG2 VAL B 103 -11.067 23.081 -1.378 1.00 12.45 C ATOM 0 H VAL B 103 -14.493 22.862 -2.074 1.00 14.84 H new ATOM 0 HA VAL B 103 -12.305 23.651 -3.544 1.00 12.84 H new ATOM 0 HB VAL B 103 -12.357 21.506 -1.740 1.00 15.28 H new ATOM 0 HG11 VAL B 103 -10.328 20.830 -2.665 1.00 13.18 H new ATOM 0 HG12 VAL B 103 -11.471 20.755 -3.759 1.00 13.18 H new ATOM 0 HG13 VAL B 103 -10.447 21.964 -3.765 1.00 13.18 H new ATOM 0 HG21 VAL B 103 -10.444 22.563 -0.844 1.00 12.45 H new ATOM 0 HG22 VAL B 103 -10.576 23.717 -1.921 1.00 12.45 H new ATOM 0 HG23 VAL B 103 -11.675 23.558 -0.792 1.00 12.45 H new ATOM 1694 N TYR B 104 -13.914 22.623 -5.269 1.00 14.88 N ATOM 1695 CA TYR B 104 -14.656 21.930 -6.316 1.00 17.16 C ATOM 1696 C TYR B 104 -13.769 20.944 -7.070 1.00 18.48 C ATOM 1697 O TYR B 104 -12.699 21.310 -7.572 1.00 19.48 O ATOM 1698 CB TYR B 104 -15.261 22.966 -7.260 1.00 16.50 C ATOM 1699 CG TYR B 104 -16.320 23.824 -6.590 1.00 17.23 C ATOM 1700 CD1 TYR B 104 -17.680 23.527 -6.725 1.00 15.54 C ATOM 1701 CD2 TYR B 104 -15.963 24.920 -5.806 1.00 15.90 C ATOM 1702 CE1 TYR B 104 -18.651 24.295 -6.102 1.00 15.77 C ATOM 1703 CE2 TYR B 104 -16.932 25.699 -5.175 1.00 17.07 C ATOM 1704 CZ TYR B 104 -18.277 25.383 -5.329 1.00 17.30 C ATOM 1705 OH TYR B 104 -19.240 26.170 -4.727 1.00 17.15 O ATOM 0 H TYR B 104 -13.690 23.426 -5.480 1.00 14.88 H new ATOM 0 HA TYR B 104 -15.368 21.410 -5.911 1.00 17.16 H new ATOM 0 HB2 TYR B 104 -14.556 23.538 -7.601 1.00 16.50 H new ATOM 0 HB3 TYR B 104 -15.653 22.513 -8.023 1.00 16.50 H new ATOM 0 HD1 TYR B 104 -17.938 22.799 -7.243 1.00 15.54 H new ATOM 0 HD2 TYR B 104 -15.064 25.135 -5.702 1.00 15.90 H new ATOM 0 HE1 TYR B 104 -19.550 24.081 -6.202 1.00 15.77 H new ATOM 0 HE2 TYR B 104 -16.680 26.427 -4.654 1.00 17.07 H new ATOM 0 HH TYR B 104 -19.997 25.965 -5.027 1.00 17.15 H new ATOM 1706 N LEU B 105 -14.239 19.702 -7.165 1.00 19.96 N ATOM 1707 CA LEU B 105 -13.489 18.614 -7.791 1.00 20.48 C ATOM 1708 C LEU B 105 -14.095 17.962 -9.041 1.00 23.20 C ATOM 1709 O LEU B 105 -15.284 18.107 -9.341 1.00 25.43 O ATOM 1710 CB LEU B 105 -13.270 17.516 -6.740 1.00 18.07 C ATOM 1711 CG LEU B 105 -12.637 17.986 -5.424 1.00 19.98 C ATOM 1712 CD1 LEU B 105 -12.929 16.998 -4.288 1.00 16.69 C ATOM 1713 CD2 LEU B 105 -11.136 18.165 -5.645 1.00 18.75 C ATOM 0 H LEU B 105 -15.009 19.465 -6.865 1.00 19.96 H new ATOM 0 HA LEU B 105 -12.675 19.035 -8.108 1.00 20.48 H new ATOM 0 HB2 LEU B 105 -14.125 17.104 -6.541 1.00 18.07 H new ATOM 0 HB3 LEU B 105 -12.706 16.828 -7.126 1.00 18.07 H new ATOM 0 HG LEU B 105 -13.023 18.835 -5.157 1.00 19.98 H new ATOM 0 HD11 LEU B 105 -12.519 17.317 -3.469 1.00 16.69 H new ATOM 0 HD12 LEU B 105 -13.888 16.924 -4.162 1.00 16.69 H new ATOM 0 HD13 LEU B 105 -12.565 16.128 -4.514 1.00 16.69 H new ATOM 0 HD21 LEU B 105 -10.721 18.463 -4.821 1.00 18.75 H new ATOM 0 HD22 LEU B 105 -10.746 17.320 -5.917 1.00 18.75 H new ATOM 0 HD23 LEU B 105 -10.987 18.827 -6.338 1.00 18.75 H new ATOM 1714 N THR B 106 -13.241 17.233 -9.754 1.00 24.49 N ATOM 1715 CA THR B 106 -13.611 16.469 -10.941 1.00 24.95 C ATOM 1716 C THR B 106 -12.585 15.324 -11.037 1.00 26.52 C ATOM 1717 O THR B 106 -11.395 15.514 -10.779 1.00 25.58 O ATOM 1718 CB THR B 106 -13.586 17.347 -12.221 1.00 26.40 C ATOM 1719 OG1 THR B 106 -14.094 16.593 -13.326 1.00 27.01 O ATOM 1720 CG2 THR B 106 -12.183 17.806 -12.539 1.00 24.04 C ATOM 0 H THR B 106 -12.407 17.168 -9.555 1.00 24.49 H new ATOM 0 HA THR B 106 -14.518 16.134 -10.870 1.00 24.95 H new ATOM 0 HB THR B 106 -14.139 18.128 -12.064 1.00 26.40 H new ATOM 0 HG1 THR B 106 -13.503 16.062 -13.598 1.00 27.01 H new ATOM 0 HG21 THR B 106 -12.195 18.351 -13.341 1.00 24.04 H new ATOM 0 HG22 THR B 106 -11.838 18.328 -11.798 1.00 24.04 H new ATOM 0 HG23 THR B 106 -11.614 17.033 -12.682 1.00 24.04 H new ATOM 1721 N PRO B 107 -13.032 14.107 -11.376 1.00 27.85 N ATOM 1722 CA PRO B 107 -14.387 13.643 -11.686 1.00 28.70 C ATOM 1723 C PRO B 107 -15.378 13.812 -10.531 1.00 27.11 C ATOM 1724 O PRO B 107 -14.994 14.154 -9.409 1.00 24.93 O ATOM 1725 CB PRO B 107 -14.160 12.178 -12.060 1.00 30.42 C ATOM 1726 CG PRO B 107 -13.009 11.795 -11.181 1.00 28.85 C ATOM 1727 CD PRO B 107 -12.091 12.974 -11.352 1.00 29.68 C ATOM 0 HA PRO B 107 -14.804 14.162 -12.391 1.00 28.70 H new ATOM 0 HB2 PRO B 107 -14.944 11.635 -11.885 1.00 30.42 H new ATOM 0 HB3 PRO B 107 -13.947 12.074 -13.001 1.00 30.42 H new ATOM 0 HG2 PRO B 107 -13.280 11.675 -10.257 1.00 28.85 H new ATOM 0 HG3 PRO B 107 -12.594 10.966 -11.465 1.00 28.85 H new ATOM 0 HD2 PRO B 107 -11.456 13.047 -10.622 1.00 29.68 H new ATOM 0 HD3 PRO B 107 -11.575 12.915 -12.172 1.00 29.68 H new ATOM 1728 N HIS B 108 -16.650 13.553 -10.810 1.00 25.02 N ATOM 1729 CA HIS B 108 -17.686 13.703 -9.802 1.00 25.15 C ATOM 1730 C HIS B 108 -18.026 12.411 -9.068 1.00 26.02 C ATOM 1731 O HIS B 108 -18.899 12.394 -8.199 1.00 26.86 O ATOM 1732 CB HIS B 108 -18.925 14.321 -10.442 1.00 23.05 C ATOM 1733 CG HIS B 108 -18.650 15.630 -11.115 1.00 23.53 C ATOM 1734 ND1 HIS B 108 -19.511 16.197 -12.029 1.00 23.72 N ATOM 1735 CD2 HIS B 108 -17.595 16.475 -11.018 1.00 22.78 C ATOM 1736 CE1 HIS B 108 -18.997 17.334 -12.468 1.00 21.91 C ATOM 1737 NE2 HIS B 108 -17.836 17.526 -11.869 1.00 21.32 N ATOM 0 H HIS B 108 -16.932 13.289 -11.578 1.00 25.02 H new ATOM 0 HA HIS B 108 -17.336 14.294 -9.117 1.00 25.15 H new ATOM 0 HB2 HIS B 108 -19.290 13.700 -11.092 1.00 23.05 H new ATOM 0 HB3 HIS B 108 -19.603 14.450 -9.761 1.00 23.05 H new ATOM 0 HD2 HIS B 108 -16.847 16.364 -10.476 1.00 22.78 H new ATOM 0 HE1 HIS B 108 -19.387 17.902 -13.093 1.00 21.91 H new ATOM 0 HE2 HIS B 108 -17.315 18.199 -11.992 1.00 21.32 H new ATOM 1738 N GLN B 109 -17.332 11.329 -9.408 1.00 27.73 N ATOM 1739 CA GLN B 109 -17.550 10.059 -8.729 1.00 28.32 C ATOM 1740 C GLN B 109 -17.211 10.304 -7.265 1.00 28.33 C ATOM 1741 O GLN B 109 -16.209 10.949 -6.957 1.00 28.67 O ATOM 1742 CB GLN B 109 -16.629 8.975 -9.291 1.00 30.49 C ATOM 1743 CG GLN B 109 -16.412 7.817 -8.330 1.00 35.06 C ATOM 1744 CD GLN B 109 -15.583 6.685 -8.919 1.00 37.57 C ATOM 1745 OE1 GLN B 109 -16.091 5.853 -9.680 1.00 39.39 O ATOM 1746 NE2 GLN B 109 -14.299 6.651 -8.573 1.00 37.15 N ATOM 0 H GLN B 109 -16.734 11.310 -10.026 1.00 27.73 H new ATOM 0 HA GLN B 109 -18.463 9.755 -8.849 1.00 28.32 H new ATOM 0 HB2 GLN B 109 -17.006 8.635 -10.118 1.00 30.49 H new ATOM 0 HB3 GLN B 109 -15.771 9.370 -9.511 1.00 30.49 H new ATOM 0 HG2 GLN B 109 -15.973 8.148 -7.531 1.00 35.06 H new ATOM 0 HG3 GLN B 109 -17.274 7.468 -8.056 1.00 35.06 H new ATOM 0 HE21 GLN B 109 -13.981 7.247 -8.041 1.00 37.15 H new ATOM 0 HE22 GLN B 109 -13.787 6.033 -8.881 1.00 37.15 H new ATOM 1747 N LEU B 110 -18.045 9.802 -6.363 1.00 28.04 N ATOM 1748 CA LEU B 110 -17.796 9.998 -4.946 1.00 26.82 C ATOM 1749 C LEU B 110 -16.635 9.110 -4.522 1.00 26.95 C ATOM 1750 O LEU B 110 -16.442 8.007 -5.049 1.00 27.19 O ATOM 1751 CB LEU B 110 -19.044 9.668 -4.120 1.00 28.07 C ATOM 1752 CG LEU B 110 -19.225 10.474 -2.830 1.00 26.24 C ATOM 1753 CD1 LEU B 110 -19.620 11.903 -3.166 1.00 25.20 C ATOM 1754 CD2 LEU B 110 -20.288 9.829 -1.981 1.00 27.66 C ATOM 0 H LEU B 110 -18.753 9.350 -6.549 1.00 28.04 H new ATOM 0 HA LEU B 110 -17.574 10.929 -4.788 1.00 26.82 H new ATOM 0 HB2 LEU B 110 -19.825 9.804 -4.678 1.00 28.07 H new ATOM 0 HB3 LEU B 110 -19.019 8.726 -3.891 1.00 28.07 H new ATOM 0 HG LEU B 110 -18.389 10.488 -2.338 1.00 26.24 H new ATOM 0 HD11 LEU B 110 -19.733 12.409 -2.346 1.00 25.20 H new ATOM 0 HD12 LEU B 110 -18.925 12.313 -3.705 1.00 25.20 H new ATOM 0 HD13 LEU B 110 -20.454 11.900 -3.662 1.00 25.20 H new ATOM 0 HD21 LEU B 110 -20.403 10.339 -1.164 1.00 27.66 H new ATOM 0 HD22 LEU B 110 -21.125 9.809 -2.470 1.00 27.66 H new ATOM 0 HD23 LEU B 110 -20.021 8.923 -1.761 1.00 27.66 H new ATOM 1755 N PRO B 111 -15.832 9.587 -3.562 1.00 23.73 N ATOM 1756 CA PRO B 111 -14.683 8.811 -3.087 1.00 22.81 C ATOM 1757 C PRO B 111 -15.088 7.624 -2.222 1.00 21.20 C ATOM 1758 O PRO B 111 -16.225 7.528 -1.771 1.00 18.95 O ATOM 1759 CB PRO B 111 -13.870 9.851 -2.311 1.00 21.85 C ATOM 1760 CG PRO B 111 -14.944 10.728 -1.727 1.00 22.32 C ATOM 1761 CD PRO B 111 -15.916 10.893 -2.885 1.00 22.49 C ATOM 0 HA PRO B 111 -14.184 8.398 -3.809 1.00 22.81 H new ATOM 0 HB2 PRO B 111 -13.323 9.442 -1.622 1.00 21.85 H new ATOM 0 HB3 PRO B 111 -13.272 10.349 -2.890 1.00 21.85 H new ATOM 0 HG2 PRO B 111 -15.367 10.314 -0.959 1.00 22.32 H new ATOM 0 HG3 PRO B 111 -14.590 11.581 -1.431 1.00 22.32 H new ATOM 0 HD2 PRO B 111 -16.816 11.082 -2.577 1.00 22.49 H new ATOM 0 HD3 PRO B 111 -15.658 11.621 -3.472 1.00 22.49 H new ATOM 1762 N LYS B 112 -14.147 6.720 -1.999 1.00 22.38 N ATOM 1763 CA LYS B 112 -14.388 5.553 -1.159 1.00 23.94 C ATOM 1764 C LYS B 112 -13.575 5.789 0.120 1.00 22.69 C ATOM 1765 O LYS B 112 -12.362 5.612 0.143 1.00 21.60 O ATOM 1766 CB LYS B 112 -13.938 4.288 -1.899 1.00 27.17 C ATOM 1767 CG LYS B 112 -14.591 4.171 -3.273 1.00 34.04 C ATOM 1768 CD LYS B 112 -14.155 2.934 -4.033 1.00 36.96 C ATOM 1769 CE LYS B 112 -14.625 2.992 -5.487 1.00 39.12 C ATOM 1770 NZ LYS B 112 -13.940 4.068 -6.278 1.00 41.60 N ATOM 0 H LYS B 112 -13.353 6.763 -2.327 1.00 22.38 H new ATOM 0 HA LYS B 112 -15.326 5.430 -0.946 1.00 23.94 H new ATOM 0 HB2 LYS B 112 -12.973 4.298 -1.999 1.00 27.17 H new ATOM 0 HB3 LYS B 112 -14.160 3.507 -1.368 1.00 27.17 H new ATOM 0 HG2 LYS B 112 -15.555 4.156 -3.167 1.00 34.04 H new ATOM 0 HG3 LYS B 112 -14.375 4.959 -3.796 1.00 34.04 H new ATOM 0 HD2 LYS B 112 -13.189 2.856 -4.005 1.00 36.96 H new ATOM 0 HD3 LYS B 112 -14.516 2.142 -3.604 1.00 36.96 H new ATOM 0 HE2 LYS B 112 -14.463 2.134 -5.909 1.00 39.12 H new ATOM 0 HE3 LYS B 112 -15.583 3.142 -5.507 1.00 39.12 H new ATOM 0 HZ1 LYS B 112 -14.111 3.954 -7.144 1.00 41.60 H new ATOM 0 HZ2 LYS B 112 -14.241 4.864 -6.019 1.00 41.60 H new ATOM 0 HZ3 LYS B 112 -13.062 4.024 -6.141 1.00 41.60 H new ATOM 1771 N ILE B 113 -14.249 6.197 1.185 1.00 22.11 N ATOM 1772 CA ILE B 113 -13.549 6.500 2.420 1.00 23.18 C ATOM 1773 C ILE B 113 -13.939 5.623 3.596 1.00 24.09 C ATOM 1774 O ILE B 113 -15.115 5.367 3.827 1.00 26.26 O ATOM 1775 CB ILE B 113 -13.795 7.971 2.841 1.00 22.40 C ATOM 1776 CG1 ILE B 113 -13.518 8.914 1.666 1.00 22.36 C ATOM 1777 CG2 ILE B 113 -12.896 8.332 4.017 1.00 20.75 C ATOM 1778 CD1 ILE B 113 -13.943 10.361 1.919 1.00 20.16 C ATOM 0 H ILE B 113 -15.102 6.304 1.213 1.00 22.11 H new ATOM 0 HA ILE B 113 -12.616 6.331 2.217 1.00 23.18 H new ATOM 0 HB ILE B 113 -14.723 8.067 3.107 1.00 22.40 H new ATOM 0 HG12 ILE B 113 -12.569 8.895 1.465 1.00 22.36 H new ATOM 0 HG13 ILE B 113 -13.981 8.583 0.881 1.00 22.36 H new ATOM 0 HG21 ILE B 113 -13.055 9.253 4.275 1.00 20.75 H new ATOM 0 HG22 ILE B 113 -13.093 7.748 4.766 1.00 20.75 H new ATOM 0 HG23 ILE B 113 -11.967 8.225 3.759 1.00 20.75 H new ATOM 0 HD11 ILE B 113 -13.739 10.899 1.138 1.00 20.16 H new ATOM 0 HD12 ILE B 113 -14.897 10.393 2.093 1.00 20.16 H new ATOM 0 HD13 ILE B 113 -13.463 10.710 2.686 1.00 20.16 H new ATOM 1779 N THR B 114 -12.939 5.177 4.344 1.00 24.84 N ATOM 1780 CA THR B 114 -13.162 4.375 5.544 1.00 28.54 C ATOM 1781 C THR B 114 -12.103 4.874 6.518 1.00 27.03 C ATOM 1782 O THR B 114 -11.187 5.586 6.104 1.00 27.21 O ATOM 1783 CB THR B 114 -12.916 2.875 5.301 1.00 29.65 C ATOM 1784 OG1 THR B 114 -11.505 2.629 5.261 1.00 33.77 O ATOM 1785 CG2 THR B 114 -13.535 2.440 3.979 1.00 32.10 C ATOM 0 H THR B 114 -12.110 5.330 4.172 1.00 24.84 H new ATOM 0 HA THR B 114 -14.077 4.464 5.853 1.00 28.54 H new ATOM 0 HB THR B 114 -13.325 2.370 6.021 1.00 29.65 H new ATOM 0 HG1 THR B 114 -11.367 1.811 5.130 1.00 33.77 H new ATOM 0 HG21 THR B 114 -13.372 1.494 3.841 1.00 32.10 H new ATOM 0 HG22 THR B 114 -14.491 2.603 4.000 1.00 32.10 H new ATOM 0 HG23 THR B 114 -13.137 2.946 3.253 1.00 32.10 H new ATOM 1786 N ILE B 115 -12.215 4.519 7.797 1.00 27.18 N ATOM 1787 CA ILE B 115 -11.214 4.950 8.775 1.00 25.97 C ATOM 1788 C ILE B 115 -9.839 4.489 8.310 1.00 25.17 C ATOM 1789 O ILE B 115 -9.635 3.308 8.042 1.00 27.07 O ATOM 1790 CB ILE B 115 -11.507 4.376 10.191 1.00 25.02 C ATOM 1791 CG1 ILE B 115 -12.548 5.236 10.894 1.00 26.17 C ATOM 1792 CG2 ILE B 115 -10.272 4.414 11.055 1.00 25.04 C ATOM 1793 CD1 ILE B 115 -13.853 5.266 10.205 1.00 27.87 C ATOM 0 H ILE B 115 -12.852 4.037 8.116 1.00 27.18 H new ATOM 0 HA ILE B 115 -11.245 5.917 8.838 1.00 25.97 H new ATOM 0 HB ILE B 115 -11.815 3.464 10.072 1.00 25.02 H new ATOM 0 HG12 ILE B 115 -12.675 4.904 11.796 1.00 26.17 H new ATOM 0 HG13 ILE B 115 -12.210 6.142 10.970 1.00 26.17 H new ATOM 0 HG21 ILE B 115 -10.478 4.052 11.931 1.00 25.04 H new ATOM 0 HG22 ILE B 115 -9.572 3.883 10.643 1.00 25.04 H new ATOM 0 HG23 ILE B 115 -9.970 5.331 11.148 1.00 25.04 H new ATOM 0 HD11 ILE B 115 -14.468 5.828 10.701 1.00 27.87 H new ATOM 0 HD12 ILE B 115 -13.739 5.623 9.311 1.00 27.87 H new ATOM 0 HD13 ILE B 115 -14.211 4.366 10.150 1.00 27.87 H new ATOM 1794 N GLY B 116 -8.903 5.425 8.199 1.00 23.10 N ATOM 1795 CA GLY B 116 -7.567 5.077 7.760 1.00 21.80 C ATOM 1796 C GLY B 116 -7.303 5.562 6.347 1.00 22.45 C ATOM 1797 O GLY B 116 -6.161 5.600 5.895 1.00 21.82 O ATOM 0 H GLY B 116 -9.023 6.259 8.372 1.00 23.10 H new ATOM 0 HA2 GLY B 116 -6.915 5.466 8.364 1.00 21.80 H new ATOM 0 HA3 GLY B 116 -7.452 4.115 7.800 1.00 21.80 H new ATOM 1798 N THR B 117 -8.364 5.931 5.638 1.00 21.43 N ATOM 1799 CA THR B 117 -8.225 6.425 4.273 1.00 21.39 C ATOM 1800 C THR B 117 -7.323 7.655 4.263 1.00 22.33 C ATOM 1801 O THR B 117 -7.406 8.497 5.148 1.00 23.05 O ATOM 1802 CB THR B 117 -9.601 6.791 3.679 1.00 21.11 C ATOM 1803 OG1 THR B 117 -10.298 5.590 3.335 1.00 20.76 O ATOM 1804 CG2 THR B 117 -9.452 7.668 2.440 1.00 21.01 C ATOM 0 H THR B 117 -9.173 5.903 5.929 1.00 21.43 H new ATOM 0 HA THR B 117 -7.831 5.724 3.731 1.00 21.39 H new ATOM 0 HB THR B 117 -10.101 7.290 4.344 1.00 21.11 H new ATOM 0 HG1 THR B 117 -9.993 5.286 2.614 1.00 20.76 H new ATOM 0 HG21 THR B 117 -10.330 7.883 2.088 1.00 21.01 H new ATOM 0 HG22 THR B 117 -8.990 8.487 2.677 1.00 21.01 H new ATOM 0 HG23 THR B 117 -8.941 7.193 1.766 1.00 21.01 H new ATOM 1805 N THR B 118 -6.464 7.758 3.258 1.00 23.04 N ATOM 1806 CA THR B 118 -5.564 8.895 3.166 1.00 24.96 C ATOM 1807 C THR B 118 -5.988 9.902 2.105 1.00 25.44 C ATOM 1808 O THR B 118 -6.520 9.526 1.059 1.00 26.36 O ATOM 1809 CB THR B 118 -4.128 8.447 2.836 1.00 25.25 C ATOM 1810 OG1 THR B 118 -4.106 7.791 1.561 1.00 24.81 O ATOM 1811 CG2 THR B 118 -3.621 7.500 3.897 1.00 27.57 C ATOM 0 H THR B 118 -6.387 7.183 2.623 1.00 23.04 H new ATOM 0 HA THR B 118 -5.600 9.319 4.038 1.00 24.96 H new ATOM 0 HB THR B 118 -3.555 9.229 2.808 1.00 25.25 H new ATOM 0 HG1 THR B 118 -3.799 8.316 0.981 1.00 24.81 H new ATOM 0 HG21 THR B 118 -2.717 7.224 3.680 1.00 27.57 H new ATOM 0 HG22 THR B 118 -3.624 7.947 4.758 1.00 27.57 H new ATOM 0 HG23 THR B 118 -4.196 6.720 3.936 1.00 27.57 H new ATOM 1812 N ILE B 119 -5.761 11.182 2.401 1.00 23.86 N ATOM 1813 CA ILE B 119 -6.053 12.270 1.476 1.00 22.39 C ATOM 1814 C ILE B 119 -4.737 12.975 1.146 1.00 23.47 C ATOM 1815 O ILE B 119 -4.152 13.655 1.993 1.00 22.03 O ATOM 1816 CB ILE B 119 -7.009 13.318 2.084 1.00 22.09 C ATOM 1817 CG1 ILE B 119 -8.349 12.677 2.435 1.00 19.02 C ATOM 1818 CG2 ILE B 119 -7.223 14.455 1.092 1.00 19.02 C ATOM 1819 CD1 ILE B 119 -9.288 13.621 3.171 1.00 17.49 C ATOM 0 H ILE B 119 -5.430 11.442 3.151 1.00 23.86 H new ATOM 0 HA ILE B 119 -6.479 11.890 0.692 1.00 22.39 H new ATOM 0 HB ILE B 119 -6.612 13.670 2.896 1.00 22.09 H new ATOM 0 HG12 ILE B 119 -8.779 12.372 1.621 1.00 19.02 H new ATOM 0 HG13 ILE B 119 -8.192 11.893 2.984 1.00 19.02 H new ATOM 0 HG21 ILE B 119 -7.824 15.112 1.477 1.00 19.02 H new ATOM 0 HG22 ILE B 119 -6.372 14.875 0.892 1.00 19.02 H new ATOM 0 HG23 ILE B 119 -7.610 14.103 0.275 1.00 19.02 H new ATOM 0 HD11 ILE B 119 -10.120 13.162 3.367 1.00 17.49 H new ATOM 0 HD12 ILE B 119 -8.874 13.908 4.000 1.00 17.49 H new ATOM 0 HD13 ILE B 119 -9.470 14.395 2.616 1.00 17.49 H new ATOM 1820 N ASP B 120 -4.263 12.806 -0.079 1.00 25.07 N ATOM 1821 CA ASP B 120 -3.029 13.459 -0.481 1.00 27.93 C ATOM 1822 C ASP B 120 -3.337 14.802 -1.135 1.00 28.38 C ATOM 1823 O ASP B 120 -4.050 14.869 -2.136 1.00 27.79 O ATOM 1824 CB ASP B 120 -2.247 12.575 -1.450 1.00 32.05 C ATOM 1825 CG ASP B 120 -1.856 11.250 -0.836 1.00 35.41 C ATOM 1826 OD1 ASP B 120 -1.169 11.265 0.206 1.00 36.13 O ATOM 1827 OD2 ASP B 120 -2.235 10.196 -1.393 1.00 39.12 O ATOM 0 H ASP B 120 -4.635 12.324 -0.686 1.00 25.07 H new ATOM 0 HA ASP B 120 -2.487 13.608 0.310 1.00 27.93 H new ATOM 0 HB2 ASP B 120 -2.783 12.415 -2.242 1.00 32.05 H new ATOM 0 HB3 ASP B 120 -1.448 13.043 -1.738 1.00 32.05 H new ATOM 1828 N TYR B 121 -2.812 15.871 -0.545 1.00 26.95 N ATOM 1829 CA TYR B 121 -3.010 17.211 -1.067 1.00 27.76 C ATOM 1830 C TYR B 121 -1.821 17.524 -1.976 1.00 31.31 C ATOM 1831 O TYR B 121 -0.853 18.163 -1.563 1.00 31.95 O ATOM 1832 CB TYR B 121 -3.103 18.207 0.090 1.00 23.22 C ATOM 1833 CG TYR B 121 -4.363 18.060 0.944 1.00 20.64 C ATOM 1834 CD1 TYR B 121 -5.515 18.799 0.664 1.00 20.17 C ATOM 1835 CD2 TYR B 121 -4.396 17.188 2.034 1.00 20.67 C ATOM 1836 CE1 TYR B 121 -6.665 18.677 1.452 1.00 17.36 C ATOM 1837 CE2 TYR B 121 -5.541 17.056 2.826 1.00 19.02 C ATOM 1838 CZ TYR B 121 -6.668 17.804 2.530 1.00 19.81 C ATOM 1839 OH TYR B 121 -7.791 17.683 3.318 1.00 20.96 O ATOM 0 H TYR B 121 -2.332 15.837 0.168 1.00 26.95 H new ATOM 0 HA TYR B 121 -3.836 17.276 -1.572 1.00 27.76 H new ATOM 0 HB2 TYR B 121 -2.325 18.100 0.659 1.00 23.22 H new ATOM 0 HB3 TYR B 121 -3.071 19.108 -0.269 1.00 23.22 H new ATOM 0 HD1 TYR B 121 -5.518 19.383 -0.060 1.00 20.17 H new ATOM 0 HD2 TYR B 121 -3.641 16.685 2.238 1.00 20.67 H new ATOM 0 HE1 TYR B 121 -7.423 19.178 1.254 1.00 17.36 H new ATOM 0 HE2 TYR B 121 -5.545 16.469 3.547 1.00 19.02 H new ATOM 0 HH TYR B 121 -7.687 17.049 3.860 1.00 20.96 H new ATOM 1840 N LEU B 122 -1.914 17.052 -3.217 1.00 34.88 N ATOM 1841 CA LEU B 122 -0.878 17.220 -4.235 1.00 38.21 C ATOM 1842 C LEU B 122 -0.967 18.579 -4.919 1.00 39.82 C ATOM 1843 O LEU B 122 -1.624 18.719 -5.951 1.00 39.30 O ATOM 1844 CB LEU B 122 -1.018 16.122 -5.293 1.00 40.55 C ATOM 1845 CG LEU B 122 -1.343 14.718 -4.767 1.00 43.52 C ATOM 1846 CD1 LEU B 122 -1.728 13.793 -5.919 1.00 42.61 C ATOM 1847 CD2 LEU B 122 -0.150 14.176 -3.992 1.00 45.28 C ATOM 0 H LEU B 122 -2.599 16.614 -3.498 1.00 34.88 H new ATOM 0 HA LEU B 122 -0.018 17.160 -3.791 1.00 38.21 H new ATOM 0 HB2 LEU B 122 -1.715 16.384 -5.915 1.00 40.55 H new ATOM 0 HB3 LEU B 122 -0.190 16.076 -5.797 1.00 40.55 H new ATOM 0 HG LEU B 122 -2.103 14.766 -4.166 1.00 43.52 H new ATOM 0 HD11 LEU B 122 -1.930 12.910 -5.572 1.00 42.61 H new ATOM 0 HD12 LEU B 122 -2.508 14.148 -6.373 1.00 42.61 H new ATOM 0 HD13 LEU B 122 -0.990 13.732 -6.546 1.00 42.61 H new ATOM 0 HD21 LEU B 122 -0.356 13.288 -3.660 1.00 45.28 H new ATOM 0 HD22 LEU B 122 0.623 14.131 -4.577 1.00 45.28 H new ATOM 0 HD23 LEU B 122 0.045 14.763 -3.245 1.00 45.28 H new ATOM 1848 N VAL B 123 -0.284 19.571 -4.356 1.00 42.41 N ATOM 1849 CA VAL B 123 -0.290 20.926 -4.901 1.00 42.93 C ATOM 1850 C VAL B 123 0.641 21.111 -6.113 1.00 44.02 C ATOM 1851 O VAL B 123 0.133 21.437 -7.209 1.00 45.08 O ATOM 1852 CB VAL B 123 0.080 21.940 -3.793 1.00 42.22 C ATOM 1853 CG1 VAL B 123 0.140 23.343 -4.358 1.00 41.21 C ATOM 1854 CG2 VAL B 123 -0.948 21.864 -2.664 1.00 41.02 C ATOM 0 H VAL B 123 0.196 19.478 -3.648 1.00 42.41 H new ATOM 0 HA VAL B 123 -1.191 21.088 -5.222 1.00 42.93 H new ATOM 0 HB VAL B 123 0.956 21.717 -3.440 1.00 42.22 H new ATOM 0 HG11 VAL B 123 0.373 23.967 -3.652 1.00 41.21 H new ATOM 0 HG12 VAL B 123 0.811 23.382 -5.058 1.00 41.21 H new ATOM 0 HG13 VAL B 123 -0.725 23.581 -4.727 1.00 41.21 H new ATOM 0 HG21 VAL B 123 -0.715 22.500 -1.970 1.00 41.02 H new ATOM 0 HG22 VAL B 123 -1.828 22.075 -3.013 1.00 41.02 H new ATOM 0 HG23 VAL B 123 -0.954 20.968 -2.292 1.00 41.02 H new TER 1855 VAL B 123 HETATM 1856 O HOH A 127 -7.701 27.543 23.895 1.00 18.69 O HETATM 1857 O HOH A 128 -25.767 24.734 18.872 1.00 22.70 O HETATM 1858 O HOH A 129 -35.481 23.173 25.627 1.00 22.56 O HETATM 1859 O HOH A 130 -18.332 19.340 29.140 1.00 19.03 O HETATM 1860 O HOH A 131 -27.376 40.807 11.819 1.00 27.17 O HETATM 1861 O HOH A 132 -32.014 25.769 10.240 1.00 19.52 O HETATM 1862 O HOH A 133 -19.041 22.773 5.382 1.00 13.03 O HETATM 1863 O HOH A 134 -4.751 29.935 15.798 1.00 20.10 O HETATM 1864 O HOH A 135 -8.813 26.975 31.242 1.00 17.88 O HETATM 1865 O HOH A 136 -12.026 21.998 14.527 1.00 21.27 O HETATM 1866 O HOH A 137 -27.778 20.936 17.080 1.00 23.02 O HETATM 1867 O HOH A 138 -19.427 26.838 33.958 1.00 26.19 O HETATM 1868 O HOH A 139 -5.860 28.935 13.994 1.00 45.79 O HETATM 1869 O HOH A 140 -13.482 27.657 19.957 1.00 36.25 O HETATM 1870 O HOH A 141 -18.060 28.118 3.009 1.00 21.74 O HETATM 1871 O HOH A 142 -6.819 31.422 8.939 1.00 26.03 O HETATM 1872 O HOH A 143 -27.193 42.420 21.803 1.00 26.36 O HETATM 1873 O HOH A 144 -32.659 27.048 17.327 1.00 25.70 O HETATM 1874 O HOH A 145 -19.775 26.947 36.488 1.00 55.28 O HETATM 1875 O HOH A 146 -15.355 33.478 10.062 1.00 26.81 O HETATM 1876 O HOH A 147 -16.287 29.953 9.819 1.00 19.07 O HETATM 1877 O HOH A 148 -7.734 29.755 31.155 1.00 21.12 O HETATM 1878 O HOH A 149 -31.494 28.602 30.832 1.00 26.06 O HETATM 1879 O HOH A 150 -15.983 25.157 35.245 1.00 23.95 O HETATM 1880 O HOH A 151 -7.293 38.299 23.472 1.00 32.15 O HETATM 1881 O HOH A 152 -14.570 41.598 16.263 1.00 29.59 O HETATM 1882 O HOH A 153 -12.870 31.497 8.226 1.00 19.83 O HETATM 1883 O HOH A 154 -8.935 20.410 25.911 1.00 28.51 O HETATM 1884 O HOH A 155 -15.389 14.237 34.282 1.00 35.05 O HETATM 1885 O HOH A 156 -19.607 42.529 14.967 1.00 26.03 O HETATM 1886 O HOH A 157 -28.948 24.786 23.766 1.00 29.82 O HETATM 1887 O HOH A 158 -12.081 21.309 33.786 1.00 28.94 O HETATM 1888 O HOH A 159 -26.025 22.407 20.114 1.00 29.04 O HETATM 1889 O HOH A 160 -7.446 25.051 31.029 1.00 22.65 O HETATM 1890 O HOH A 161 -7.533 23.369 28.740 1.00 22.03 O HETATM 1891 O HOH A 162 -6.878 36.583 29.087 1.00 25.98 O HETATM 1892 O HOH A 163 -13.139 17.341 22.514 1.00 22.83 O HETATM 1893 O HOH A 164 -8.727 42.169 13.543 1.00 19.92 O HETATM 1894 O HOH A 165 -17.858 15.818 35.710 1.00 34.76 O HETATM 1895 O HOH A 166 -4.777 34.463 14.607 1.00 23.38 O HETATM 1896 O HOH A 167 -30.111 39.325 24.996 1.00 29.60 O HETATM 1897 O HOH A 168 -29.489 29.758 9.715 1.00 31.35 O HETATM 1898 O HOH A 169 -30.447 35.368 9.253 1.00 29.67 O HETATM 1899 O HOH A 170 -9.403 30.405 8.403 1.00 22.67 O HETATM 1900 O HOH A 171 -12.920 24.786 36.331 1.00 29.18 O HETATM 1901 O HOH A 172 -8.906 23.892 34.879 1.00 27.12 O HETATM 1902 O HOH A 173 -33.821 34.586 15.449 1.00 32.98 O HETATM 1903 O HOH A 174 -31.575 33.223 11.344 1.00 20.92 O HETATM 1904 O HOH A 175 -18.633 28.328 38.567 1.00 35.31 O HETATM 1905 O HOH A 176 -34.038 33.315 13.220 1.00 29.18 O HETATM 1906 O HOH A 177 -27.397 29.167 11.181 1.00 25.82 O HETATM 1907 O HOH A 178 -12.765 41.284 31.233 1.00 38.94 O HETATM 1908 O HOH A 179 -29.739 35.129 29.865 1.00 27.11 O HETATM 1909 O HOH A 180 -34.125 39.962 14.352 1.00 25.90 O HETATM 1910 O HOH A 181 -7.304 42.166 30.504 1.00 37.23 O HETATM 1911 O HOH A 182 -31.862 32.217 23.072 1.00 20.71 O HETATM 1912 O HOH A 183 -10.005 38.886 12.237 1.00 20.87 O HETATM 1913 O HOH A 184 -27.458 44.196 14.739 1.00 38.67 O HETATM 1914 O HOH A 185 -29.277 42.918 12.467 1.00 36.77 O HETATM 1915 O HOH A 186 -19.732 35.903 10.191 1.00 55.69 O HETATM 1916 O HOH A 187 -5.630 37.973 10.598 1.00 42.60 O HETATM 1917 O HOH A 188 -17.244 37.869 37.214 1.00 41.57 O HETATM 1918 O HOH A 189 -33.841 30.964 30.853 1.00 35.06 O HETATM 1919 O HOH A 190 -19.914 42.469 12.357 1.00 26.98 O HETATM 1920 O HOH A 191 -22.318 32.940 38.074 1.00 40.01 O HETATM 1921 O HOH A 192 -21.776 27.041 39.189 1.00 33.01 O HETATM 1922 O HOH A 193 -29.804 40.424 21.845 1.00 26.19 O HETATM 1923 O HOH A 194 -2.373 33.416 17.435 1.00 39.86 O HETATM 1924 O HOH A 195 -6.691 30.473 28.031 1.00 23.96 O HETATM 1925 O HOH A 196 -28.156 43.162 19.606 1.00 35.88 O HETATM 1926 O HOH A 197 -31.093 42.537 17.684 1.00 35.70 O HETATM 1927 O HOH A 198 -8.008 14.033 34.678 1.00 44.94 O HETATM 1928 O HOH A 199 -23.648 22.033 4.364 1.00 35.45 O HETATM 1929 O HOH A 200 -8.343 34.386 10.718 1.00 24.61 O HETATM 1930 O HOH A 201 -30.907 21.034 19.352 1.00 32.48 O HETATM 1931 O HOH A 202 -25.391 40.256 33.298 1.00 21.75 O HETATM 1932 O HOH A 203 -33.134 32.691 26.228 1.00 33.08 O HETATM 1933 O HOH A 204 -3.949 35.682 10.714 1.00 35.20 O HETATM 1934 O HOH A 205 -19.863 44.904 26.518 1.00 30.70 O HETATM 1935 O HOH A 206 -13.606 31.881 36.493 1.00 51.69 O HETATM 1936 O HOH A 207 -6.335 31.358 11.613 1.00 26.39 O HETATM 1937 O HOH A 208 -30.633 44.758 16.528 1.00 31.81 O HETATM 1938 O HOH A 209 -2.503 32.566 12.603 1.00 32.72 O HETATM 1939 O HOH A 210 -28.033 39.582 9.703 1.00 27.99 O HETATM 1940 O HOH A 211 -28.113 21.162 3.375 1.00 30.62 O HETATM 1941 O HOH A 212 -19.517 45.498 16.191 1.00 27.62 O HETATM 1942 O HOH A 213 -8.168 43.556 18.603 1.00 48.21 O HETATM 1943 O HOH A 214 -33.542 33.885 28.636 1.00 39.22 O HETATM 1944 O HOH A 215 -6.682 33.077 33.642 1.00 23.95 O HETATM 1945 O HOH A 216 -14.977 45.179 18.315 1.00 30.94 O HETATM 1946 O HOH A 217 -29.957 26.867 9.429 1.00 30.73 O HETATM 1947 O HOH A 218 -31.345 39.044 9.053 1.00 35.70 O HETATM 1948 O HOH A 219 -18.477 25.046 6.773 1.00 16.70 O HETATM 1949 O HOH A 220 -19.497 19.738 31.385 1.00 26.29 O HETATM 1950 O HOH A 221 -33.659 30.652 14.024 1.00 25.52 O HETATM 1951 O HOH A 222 -23.739 18.506 3.282 1.00 38.32 O HETATM 1952 O HOH A 223 -24.933 34.504 8.119 1.00 30.79 O HETATM 1953 O HOH A 224 -6.063 40.955 32.741 1.00 40.80 O HETATM 1954 O HOH A 225 -28.638 37.179 26.704 1.00 25.33 O HETATM 1955 O HOH A 226 -9.807 18.985 35.719 1.00 32.53 O HETATM 1956 O HOH A 227 -9.061 38.514 22.108 1.00 56.58 O HETATM 1957 O HOH A 228 -24.530 46.055 22.072 1.00 34.41 O HETATM 1958 O HOH A 229 -9.592 40.341 32.106 1.00 24.24 O HETATM 1959 O HOH A 230 -23.896 44.398 15.659 1.00 32.01 O HETATM 1960 O HOH A 231 -27.189 37.634 34.670 1.00 45.72 O HETATM 1961 O HOH A 232 -28.937 18.442 7.406 1.00 37.39 O HETATM 1962 O HOH A 233 -35.381 21.937 20.787 1.00 27.28 O HETATM 1963 O HOH A 234 -10.765 33.182 8.335 1.00 27.53 O HETATM 1964 O HOH A 235 -34.094 25.548 18.751 1.00 31.02 O HETATM 1965 O HOH A 236 -16.310 16.310 37.563 1.00 43.41 O HETATM 1966 O HOH A 237 -31.497 19.514 21.081 1.00 36.00 O HETATM 1967 O HOH A 238 -25.663 19.272 20.954 1.00 35.18 O HETATM 1968 O HOH A 239 -32.073 30.977 34.653 1.00 30.70 O HETATM 1969 O HOH A 240 -16.761 36.336 7.166 1.00 34.68 O HETATM 1970 O HOH A 241 -16.421 32.637 38.449 1.00 33.83 O HETATM 1971 O HOH A 242 -25.697 23.551 33.485 1.00 25.27 O HETATM 1972 O HOH A 243 -24.171 25.525 1.936 1.00 32.17 O HETATM 1973 O HOH A 244 -4.160 37.630 20.962 1.00 30.82 O HETATM 1974 O HOH A 245 -25.304 46.546 19.538 1.00 31.59 O HETATM 1975 O HOH A 246 -23.060 22.391 35.871 1.00 27.76 O HETATM 1976 O HOH A 247 -18.263 43.368 9.807 1.00 38.50 O HETATM 1977 O HOH A 248 -4.307 43.888 15.476 1.00 27.31 O HETATM 1978 O HOH A 249 -2.815 37.573 13.911 1.00 31.27 O HETATM 1979 O HOH A 250 -13.999 37.858 37.285 1.00 35.06 O HETATM 1980 O HOH A 251 -9.882 18.078 26.410 1.00 28.11 O HETATM 1981 O HOH A 252 -29.249 35.362 7.109 1.00 32.88 O HETATM 1982 O HOH A 253 -6.138 40.218 29.766 1.00 41.42 O HETATM 1983 O HOH A 254 -20.556 19.384 27.555 1.00 32.52 O HETATM 1984 O HOH A 255 -21.969 45.944 23.468 1.00 47.76 O HETATM 1985 O HOH A 256 -31.715 37.341 30.089 1.00 44.24 O HETATM 1986 O HOH A 257 -29.340 24.693 7.316 1.00 35.09 O HETATM 1987 O HOH A 258 -13.762 36.134 8.086 1.00 24.51 O HETATM 1988 O HOH A 259 -14.336 37.297 10.431 1.00 30.24 O HETATM 1989 O HOH A 260 -5.814 33.892 12.264 1.00 32.12 O HETATM 1990 O HOH A 261 -14.733 34.844 39.331 1.00 58.72 O HETATM 1991 O HOH A 262 -16.376 36.283 38.495 1.00 55.78 O HETATM 1992 O HOH A 263 -32.192 17.490 26.221 1.00 46.64 O HETATM 1993 O HOH A 264 -11.751 22.620 35.701 1.00 32.48 O HETATM 1994 O HOH B 127 -8.766 29.872 -0.691 1.00 22.81 O HETATM 1995 O HOH B 128 -7.629 29.263 -7.608 1.00 23.31 O HETATM 1996 O HOH B 129 -8.296 31.190 1.894 1.00 18.10 O HETATM 1997 O HOH B 130 -20.229 15.683 4.574 1.00 14.72 O HETATM 1998 O HOH B 131 -11.746 32.268 -7.508 1.00 29.01 O HETATM 1999 O HOH B 132 -15.353 32.488 -2.607 1.00 22.89 O HETATM 2000 O HOH B 133 -10.172 29.147 -7.978 1.00 15.69 O HETATM 2001 O HOH B 134 -7.015 6.573 10.918 1.00 20.17 O HETATM 2002 O HOH B 135 -15.719 20.872 -10.311 1.00 28.27 O HETATM 2003 O HOH B 136 -21.769 13.247 0.589 1.00 28.24 O HETATM 2004 O HOH B 137 -14.190 20.273 20.609 1.00 23.72 O HETATM 2005 O HOH B 138 -15.995 24.030 -11.751 1.00 28.98 O HETATM 2006 O HOH B 139 -8.088 20.778 13.257 1.00 29.43 O HETATM 2007 O HOH B 140 -21.993 9.960 13.430 1.00 30.82 O HETATM 2008 O HOH B 141 -24.969 15.690 6.370 1.00 21.57 O HETATM 2009 O HOH B 142 -17.846 11.991 13.321 1.00 26.54 O HETATM 2010 O HOH B 143 -21.477 24.966 -5.118 1.00 26.12 O HETATM 2011 O HOH B 144 -15.411 3.438 8.179 1.00 25.51 O HETATM 2012 O HOH B 145 -22.557 17.076 -9.239 1.00 28.06 O HETATM 2013 O HOH B 146 -8.710 19.738 15.383 1.00 20.93 O HETATM 2014 O HOH B 147 -24.766 30.080 -9.767 1.00 26.14 O HETATM 2015 O HOH B 148 -19.205 14.985 24.233 1.00 46.95 O HETATM 2016 O HOH B 149 -6.417 5.370 1.672 1.00 30.01 O HETATM 2017 O HOH B 150 1.249 26.351 12.003 1.00 27.16 O HETATM 2018 O HOH B 151 -10.971 24.670 3.517 1.00 17.58 O HETATM 2019 O HOH B 152 -16.702 7.080 11.962 1.00 47.39 O HETATM 2020 O HOH B 153 -20.151 8.604 -7.327 1.00 30.22 O HETATM 2021 O HOH B 154 0.716 24.062 -0.331 1.00 36.91 O HETATM 2022 O HOH B 155 -16.122 19.416 -12.580 1.00 20.77 O HETATM 2023 O HOH B 156 -0.807 22.743 12.058 1.00 26.06 O HETATM 2024 O HOH B 157 4.241 21.849 9.162 1.00 21.85 O HETATM 2025 O HOH B 158 -4.531 30.693 7.422 1.00 33.47 O HETATM 2026 O HOH B 159 -16.621 38.221 -10.363 1.00 27.22 O HETATM 2027 O HOH B 160 -2.258 12.196 9.886 1.00 27.51 O HETATM 2028 O HOH B 161 -16.694 33.495 4.928 1.00 38.67 O HETATM 2029 O HOH B 162 -0.636 10.950 -4.093 1.00 43.32 O HETATM 2030 O HOH B 163 -11.039 11.421 15.496 1.00 33.53 O HETATM 2031 O HOH B 164 -6.073 17.370 -14.216 1.00 29.92 O HETATM 2032 O HOH B 165 -7.907 16.496 13.822 1.00 27.34 O HETATM 2033 O HOH B 166 -1.096 26.351 -4.633 1.00 33.83 O HETATM 2034 O HOH B 167 -11.818 7.014 -3.803 1.00 29.76 O HETATM 2035 O HOH B 168 -3.605 5.352 6.944 1.00 25.03 O HETATM 2036 O HOH B 169 -1.936 7.457 8.410 1.00 36.83 O HETATM 2037 O HOH B 170 -16.197 16.470 22.327 1.00 34.88 O HETATM 2038 O HOH B 171 -9.441 31.499 -3.932 1.00 26.15 O HETATM 2039 O HOH B 172 0.278 16.090 6.706 1.00 25.01 O HETATM 2040 O HOH B 173 -2.281 25.466 11.374 1.00 23.44 O HETATM 2041 O HOH B 174 -4.139 9.053 -0.656 1.00 25.14 O HETATM 2042 O HOH B 175 -25.027 28.321 -11.262 1.00 28.37 O HETATM 2043 O HOH B 176 -14.165 31.004 -11.781 1.00 39.30 O HETATM 2044 O HOH B 177 -24.415 8.993 5.280 1.00 25.10 O HETATM 2045 O HOH B 178 -15.039 26.757 -12.005 1.00 33.19 O HETATM 2046 O HOH B 179 -7.259 7.530 -9.809 1.00 25.98 O HETATM 2047 O HOH B 180 -24.086 27.045 -4.530 1.00 27.49 O HETATM 2048 O HOH B 181 -22.404 23.366 -2.914 1.00 34.82 O HETATM 2049 O HOH B 182 -18.022 36.349 -12.442 1.00 31.72 O HETATM 2050 O HOH B 183 -6.072 17.980 11.507 1.00 34.42 O HETATM 2051 O HOH B 184 1.761 23.601 -7.763 1.00 28.98 O HETATM 2052 O HOH B 185 -16.965 6.821 1.018 1.00 45.10 O HETATM 2053 O HOH B 186 -8.850 11.160 -12.454 1.00 40.89 O HETATM 2054 O HOH B 187 -19.859 10.978 14.688 1.00 24.99 O HETATM 2055 O HOH B 188 -21.737 8.785 5.764 1.00 32.10 O HETATM 2056 O HOH B 189 -10.217 4.145 -0.845 1.00 24.55 O HETATM 2057 O HOH B 190 -17.816 17.958 21.160 1.00 17.12 O HETATM 2058 O HOH B 191 -26.806 13.200 -7.423 1.00 35.34 O HETATM 2059 O HOH B 192 -14.060 6.774 -5.987 1.00 33.58 O HETATM 2060 O HOH B 193 -1.367 28.946 -5.458 1.00 29.20 O HETATM 2061 O HOH B 194 -22.187 18.883 -11.816 1.00 24.16 O HETATM 2062 O HOH B 195 -6.147 19.738 12.931 1.00 58.61 O HETATM 2063 O HOH B 196 -4.592 3.941 3.383 1.00 39.75 O HETATM 2064 O HOH B 197 -24.376 10.400 14.449 1.00 27.24 O HETATM 2065 O HOH B 198 -20.306 35.808 -11.204 1.00 26.39 O HETATM 2066 O HOH B 199 -17.095 29.612 -10.663 1.00 30.66 O HETATM 2067 O HOH B 200 -26.666 16.462 4.603 1.00 33.31 O HETATM 2068 O HOH B 201 -1.605 24.223 -10.170 1.00 29.38 O HETATM 2069 O HOH B 202 -1.087 18.493 -8.357 1.00 29.76 O HETATM 2070 O HOH B 203 -2.457 28.990 9.620 1.00 26.94 O HETATM 2071 O HOH B 204 -8.965 4.982 0.949 1.00 32.87 O HETATM 2072 O HOH B 205 -28.047 16.191 6.434 1.00 31.45 O HETATM 2073 O HOH B 206 -8.547 21.692 -13.900 1.00 44.85 O HETATM 2074 O HOH B 207 -12.582 32.138 -4.897 1.00 43.82 O HETATM 2075 O HOH B 208 -9.564 9.300 -11.186 1.00 34.09 O HETATM 2076 O HOH B 209 -28.701 16.702 14.929 1.00 30.99 O HETATM 2077 O HOH B 210 -22.402 16.526 3.561 1.00 39.49 O HETATM 2078 O HOH B 211 -0.115 21.170 -10.347 1.00 28.23 O HETATM 2079 O HOH B 212 -21.760 17.968 20.137 1.00 28.88 O HETATM 2080 O HOH B 213 -29.489 12.769 2.561 1.00 37.40 O HETATM 2081 O HOH B 214 -21.791 25.677 -13.642 1.00 22.90 O HETATM 2082 O HOH B 215 0.059 11.977 6.954 1.00 33.15 O HETATM 2083 O HOH B 216 -19.950 13.500 16.197 1.00 30.74 O HETATM 2084 O HOH B 217 -25.711 26.875 -6.998 1.00 36.69 O HETATM 2085 O HOH B 218 -24.402 13.940 3.179 1.00 29.90 O HETATM 2086 O HOH B 219 -18.922 7.772 12.948 1.00 50.36 O HETATM 2087 O HOH B 220 -4.441 5.807 -1.195 1.00 41.52 O HETATM 2088 O HOH B 221 -22.956 23.442 -10.678 1.00 27.95 O HETATM 2089 O HOH B 222 -21.174 19.391 -16.365 1.00 32.31 O HETATM 2090 O HOH B 223 -11.552 21.511 11.992 1.00 17.18 O HETATM 2091 O HOH B 224 0.647 21.976 10.070 1.00 22.80 O HETATM 2092 O HOH B 225 -12.502 14.494 -14.722 1.00 28.94 O HETATM 2093 O HOH B 226 -20.668 18.428 22.567 1.00 35.64 O HETATM 2094 O HOH B 227 -20.499 6.373 5.361 1.00 32.13 O HETATM 2095 O HOH B 228 -6.785 10.162 -13.508 1.00 32.50 O HETATM 2096 O HOH B 229 -12.747 28.363 -12.266 1.00 43.47 O HETATM 2097 O HOH B 230 -4.590 26.749 14.249 1.00 35.07 O HETATM 2098 O HOH B 231 -9.199 14.038 -12.617 1.00 30.62 O HETATM 2099 O HOH B 232 4.316 26.914 3.050 1.00 40.05 O HETATM 2100 O HOH B 233 -5.431 4.281 -6.846 1.00 38.46 O HETATM 2101 O HOH B 234 -31.177 17.615 14.791 1.00 31.76 O HETATM 2102 O HOH B 235 -4.706 11.940 15.132 1.00 33.85 O HETATM 2103 O HOH B 236 -17.230 5.291 -5.707 1.00 29.32 O HETATM 2104 O HOH B 237 -14.436 36.336 -7.586 1.00 38.20 O HETATM 2105 O HOH B 238 -31.016 13.399 -1.311 1.00 32.69 O HETATM 2106 O HOH B 239 -29.153 15.111 -6.011 1.00 53.67 O HETATM 2107 O HOH B 240 -20.280 29.236 1.524 1.00 29.23 O HETATM 2108 O HOH B 241 -13.575 12.403 15.782 1.00 26.41 O HETATM 2109 O HOH B 242 -26.202 28.928 -7.950 1.00 39.22 O HETATM 2110 O HOH B 243 3.863 22.909 -8.763 1.00 47.21 O HETATM 2111 O HOH B 244 -27.079 12.961 4.606 1.00 51.74 O HETATM 2112 O HOH B 245 3.930 16.251 2.391 1.00 42.10 O CONECT 8 15 CONECT 15 8 16 CONECT 16 15 17 19 CONECT 17 16 18 23 CONECT 18 17 CONECT 19 16 20 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 CONECT 23 17 CONECT 144 151 CONECT 151 144 152 CONECT 152 151 153 155 CONECT 153 152 154 159 CONECT 154 153 CONECT 155 152 156 CONECT 156 155 157 CONECT 157 156 158 CONECT 158 157 CONECT 159 153 CONECT 931 932 CONECT 932 931 933 935 CONECT 933 932 934 939 CONECT 934 933 CONECT 935 932 936 CONECT 936 935 937 CONECT 937 936 938 CONECT 938 937 CONECT 939 933 CONECT 1060 1067 CONECT 1067 1060 1068 CONECT 1068 1067 1069 1071 CONECT 1069 1068 1070 1075 CONECT 1070 1069 CONECT 1071 1068 1072 CONECT 1072 1071 1073 CONECT 1073 1072 1074 CONECT 1074 1073 CONECT 1075 1069 END