USER MOD reduce.3.24.130724 H: found=0, std=0, add=3572, rem=0, adj=140 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ELECTRON TRANSPORT 04-JUN-10 3NBS TITLE CRYSTAL STRUCTURE OF DIMERIC CYTOCHROME C FROM HORSE HEART COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C; COMPND 3 CHAIN: A, B, C, D SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; SOURCE 3 ORGANISM_COMMON: DOMESTIC HORSE,EQUINE; SOURCE 4 ORGANISM_TAXID: 9796; SOURCE 5 ORGAN: HEART KEYWDS CYTOCHROME C, POLYMERIZATION, DOMAIN SWAPPING, ELECTRON TRANSPORT EXPDTA X-RAY DIFFRACTION AUTHOR M.TAKETA,H.KOMORI,S.HIROTA,Y.HIGUCHI REVDAT 3 28-JUL-10 3NBS 1 JRNL REVDAT 2 21-JUL-10 3NBS 1 JRNL REVDAT 1 14-JUL-10 3NBS 0 JRNL AUTH S.HIROTA,Y.HATTORI,S.NAGAO,M.TAKETA,H.KOMORI,H.KAMIKUBO, JRNL AUTH 2 Z.WANG,I.TAKAHASHI,S.NEGI,Y.SUGIURA,M.KATAOKA,Y.HIGUCHI JRNL TITL CYTOCHROME C POLYMERIZATION BY SUCCESSIVE DOMAIN SWAPPING AT JRNL TITL 2 THE C-TERMINAL HELIX JRNL REF PROC.NATL.ACAD.SCI.USA V. 107 12854 2010 JRNL REFN ISSN 0027-8424 JRNL PMID 20615990 JRNL DOI 10.1073/PNAS.1001839107 REMARK 2 REMARK 2 RESOLUTION. 2.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.2 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.58 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 112635.070 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 88.1 REMARK 3 NUMBER OF REFLECTIONS : 21569 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) : 0.215 REMARK 3 FREE R VALUE : 0.273 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.900 REMARK 3 FREE R VALUE TEST SET COUNT : 2137 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.20 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.34 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 69.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2569 REMARK 3 BIN R VALUE (WORKING SET) : 0.2280 REMARK 3 BIN FREE R VALUE : 0.2900 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.80 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 279 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.017 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 3292 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 222 REMARK 3 SOLVENT ATOMS : 262 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 8.90 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.70 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 5.99000 REMARK 3 B22 (A**2) : -1.65000 REMARK 3 B33 (A**2) : -4.35000 REMARK 3 B12 (A**2) : 0.01000 REMARK 3 B13 (A**2) : -2.24000 REMARK 3 B23 (A**2) : -2.13000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.27 REMARK 3 ESD FROM SIGMAA (A) : 0.17 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) : 0.35 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.26 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : 2.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 21.20 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.96 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) : 1.240 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.810 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.980 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.730 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.40 REMARK 3 BSOL : 44.62 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 : PARAM19X_MOD.H REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : PEG.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : TOPH19.HEM REMARK 3 TOPOLOGY FILE 3 : WATER.TOP REMARK 3 TOPOLOGY FILE 4 : PEG.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED REMARK 4 REMARK 4 3NBS COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 15-JUN-10. REMARK 100 THE RCSB ID CODE IS RCSB059631. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 13-JUL-09 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SPRING-8 REMARK 200 BEAMLINE : BL26B2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.8 REMARK 200 MONOCHROMATOR : SI DOUBLE CRYSTAL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : RAYONIX MX-225 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 22315 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 90.5 REMARK 200 DATA REDUNDANCY : 1.800 REMARK 200 R MERGE (I) : 0.05900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 9.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 REMARK 200 COMPLETENESS FOR SHELL (%) : 70.9 REMARK 200 DATA REDUNDANCY IN SHELL : 1.60 REMARK 200 R MERGE FOR SHELL (I) : 0.14100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 5.160 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLLEP REMARK 200 STARTING MODEL: PDB ENTRY 1CRC REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.69 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.66 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 30% PEG 200, 0.1M TRIS-HCL, 0.2M REMARK 280 AMMONIUM PHOSPHATE, PH 8.5, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4870 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12350 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -47.0 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 350 REMARK 350 BIOMOLECULE: 2 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: 4730 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12310 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -46.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 SG CYS B 14 CBB HEM B 105 2.15 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 27 -141.93 -124.48 REMARK 500 ASN A 70 92.86 -164.83 REMARK 500 LYS B 27 -130.37 -114.38 REMARK 500 ASN B 70 89.41 -171.11 REMARK 500 LYS B 79 -169.49 -173.71 REMARK 500 LYS C 27 -140.34 -124.04 REMARK 500 ASN C 70 93.80 -164.54 REMARK 500 LYS D 27 -136.37 -129.70 REMARK 500 ASN D 70 91.71 -166.38 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 B 229 DISTANCE = 5.03 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM C 105 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS C 18 NE2 REMARK 620 2 HEM C 105 NA 97.4 REMARK 620 3 HEM C 105 NB 97.0 89.8 REMARK 620 4 HEM C 105 NC 89.9 172.6 89.8 REMARK 620 5 HEM C 105 ND 84.9 90.1 178.1 90.0 REMARK 620 6 HOH C 203 O 170.1 79.5 92.4 93.1 85.7 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM D 105 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS D 18 NE2 REMARK 620 2 HEM D 105 NA 96.6 REMARK 620 3 HEM D 105 NB 92.3 89.3 REMARK 620 4 HEM D 105 NC 82.8 179.0 89.9 REMARK 620 5 HEM D 105 ND 90.2 90.7 177.5 90.1 REMARK 620 6 HOH D 204 O 174.0 85.8 93.3 94.9 84.3 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 105 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 18 NE2 REMARK 620 2 HEM A 105 NA 97.0 REMARK 620 3 HEM A 105 NB 95.8 89.8 REMARK 620 4 HEM A 105 NC 90.8 172.1 90.8 REMARK 620 5 HEM A 105 ND 83.5 89.8 179.2 89.7 REMARK 620 6 HOH A 201 O 169.2 82.4 95.1 89.8 85.6 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM B 105 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS B 18 NE2 REMARK 620 2 HEM B 105 NA 92.4 REMARK 620 3 HEM B 105 NB 94.8 90.5 REMARK 620 4 HEM B 105 NC 87.4 179.3 90.1 REMARK 620 5 HEM B 105 ND 85.8 89.5 179.4 89.8 REMARK 620 6 HOH B 202 O 170.8 83.4 93.4 96.7 86.0 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 105 CAB REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 14 SG REMARK 620 2 HEM A 105 C3B 112.0 REMARK 620 3 HEM A 105 CBB 95.4 119.2 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 105 CAC REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 17 SG REMARK 620 2 HEM A 105 C3C 105.9 REMARK 620 3 HEM A 105 CBC 97.5 124.0 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM B 105 CAB REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 14 SG REMARK 620 2 HEM B 105 C3B 112.8 REMARK 620 3 HEM B 105 CBB 80.6 122.6 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM B 105 CAC REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 17 SG REMARK 620 2 HEM B 105 C3C 118.9 REMARK 620 3 HEM B 105 CBC 110.8 116.7 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM C 105 CAB REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS C 14 SG REMARK 620 2 HEM C 105 C3B 115.1 REMARK 620 3 HEM C 105 CBB 85.8 120.4 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM C 105 CAC REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS C 17 SG REMARK 620 2 HEM C 105 C3C 109.2 REMARK 620 3 HEM C 105 CBC 97.6 123.1 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM D 105 CAB REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS D 14 SG REMARK 620 2 HEM D 105 C3B 107.2 REMARK 620 3 HEM D 105 CBB 98.3 121.3 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM D 105 CAC REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS D 17 SG REMARK 620 2 HEM D 105 C3C 113.6 REMARK 620 3 HEM D 105 CBC 99.1 120.4 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 105 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PG4 A 2002 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B 105 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEG B 2004 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM C 105 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 C 1001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PG4 C 2001 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM D 105 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 D 1002 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEG D 2003 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3NBT RELATED DB: PDB REMARK 900 TRIMERIC STRUCTURE DBREF 3NBS A 1 104 UNP P00004 CYC_HORSE 2 105 DBREF 3NBS B 1 104 UNP P00004 CYC_HORSE 2 105 DBREF 3NBS C 1 104 UNP P00004 CYC_HORSE 2 105 DBREF 3NBS D 1 104 UNP P00004 CYC_HORSE 2 105 SEQRES 1 A 104 GLY ASP VAL GLU LYS GLY LYS LYS ILE PHE VAL GLN LYS SEQRES 2 A 104 CYS ALA GLN CYS HIS THR VAL GLU LYS GLY GLY LYS HIS SEQRES 3 A 104 LYS THR GLY PRO ASN LEU HIS GLY LEU PHE GLY ARG LYS SEQRES 4 A 104 THR GLY GLN ALA PRO GLY PHE THR TYR THR ASP ALA ASN SEQRES 5 A 104 LYS ASN LYS GLY ILE THR TRP LYS GLU GLU THR LEU MET SEQRES 6 A 104 GLU TYR LEU GLU ASN PRO LYS LYS TYR ILE PRO GLY THR SEQRES 7 A 104 LYS MET ILE PHE ALA GLY ILE LYS LYS LYS THR GLU ARG SEQRES 8 A 104 GLU ASP LEU ILE ALA TYR LEU LYS LYS ALA THR ASN GLU SEQRES 1 B 104 GLY ASP VAL GLU LYS GLY LYS LYS ILE PHE VAL GLN LYS SEQRES 2 B 104 CYS ALA GLN CYS HIS THR VAL GLU LYS GLY GLY LYS HIS SEQRES 3 B 104 LYS THR GLY PRO ASN LEU HIS GLY LEU PHE GLY ARG LYS SEQRES 4 B 104 THR GLY GLN ALA PRO GLY PHE THR TYR THR ASP ALA ASN SEQRES 5 B 104 LYS ASN LYS GLY ILE THR TRP LYS GLU GLU THR LEU MET SEQRES 6 B 104 GLU TYR LEU GLU ASN PRO LYS LYS TYR ILE PRO GLY THR SEQRES 7 B 104 LYS MET ILE PHE ALA GLY ILE LYS LYS LYS THR GLU ARG SEQRES 8 B 104 GLU ASP LEU ILE ALA TYR LEU LYS LYS ALA THR ASN GLU SEQRES 1 C 104 GLY ASP VAL GLU LYS GLY LYS LYS ILE PHE VAL GLN LYS SEQRES 2 C 104 CYS ALA GLN CYS HIS THR VAL GLU LYS GLY GLY LYS HIS SEQRES 3 C 104 LYS THR GLY PRO ASN LEU HIS GLY LEU PHE GLY ARG LYS SEQRES 4 C 104 THR GLY GLN ALA PRO GLY PHE THR TYR THR ASP ALA ASN SEQRES 5 C 104 LYS ASN LYS GLY ILE THR TRP LYS GLU GLU THR LEU MET SEQRES 6 C 104 GLU TYR LEU GLU ASN PRO LYS LYS TYR ILE PRO GLY THR SEQRES 7 C 104 LYS MET ILE PHE ALA GLY ILE LYS LYS LYS THR GLU ARG SEQRES 8 C 104 GLU ASP LEU ILE ALA TYR LEU LYS LYS ALA THR ASN GLU SEQRES 1 D 104 GLY ASP VAL GLU LYS GLY LYS LYS ILE PHE VAL GLN LYS SEQRES 2 D 104 CYS ALA GLN CYS HIS THR VAL GLU LYS GLY GLY LYS HIS SEQRES 3 D 104 LYS THR GLY PRO ASN LEU HIS GLY LEU PHE GLY ARG LYS SEQRES 4 D 104 THR GLY GLN ALA PRO GLY PHE THR TYR THR ASP ALA ASN SEQRES 5 D 104 LYS ASN LYS GLY ILE THR TRP LYS GLU GLU THR LEU MET SEQRES 6 D 104 GLU TYR LEU GLU ASN PRO LYS LYS TYR ILE PRO GLY THR SEQRES 7 D 104 LYS MET ILE PHE ALA GLY ILE LYS LYS LYS THR GLU ARG SEQRES 8 D 104 GLU ASP LEU ILE ALA TYR LEU LYS LYS ALA THR ASN GLU HET HEM A 105 43 HET PG4 A2002 13 HET HEM B 105 43 HET PEG B2004 7 HET HEM C 105 43 HET PO4 C1001 5 HET PG4 C2001 13 HET HEM D 105 43 HET PO4 D1002 5 HET PEG D2003 7 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETNAM PG4 TETRAETHYLENE GLYCOL HETNAM PEG DI(HYDROXYETHYL)ETHER HETNAM PO4 PHOSPHATE ION HETSYN HEM HEME FORMUL 5 HEM 4(C34 H32 FE N4 O4) FORMUL 6 PG4 2(C8 H18 O5) FORMUL 8 PEG 2(C4 H10 O3) FORMUL 10 PO4 2(O4 P 3-) FORMUL 15 HOH *262(H2 O) HELIX 1 1 ASP A 2 CYS A 14 1 13 HELIX 2 2 THR A 49 LYS A 55 1 7 HELIX 3 3 LYS A 60 ASN A 70 1 11 HELIX 4 4 ASN A 70 ILE A 75 1 6 HELIX 5 5 LYS A 87 THR A 102 1 16 HELIX 6 6 ASP B 2 CYS B 14 1 13 HELIX 7 7 THR B 49 LYS B 55 1 7 HELIX 8 8 LYS B 60 ASN B 70 1 11 HELIX 9 9 ASN B 70 ILE B 75 1 6 HELIX 10 10 LYS B 87 THR B 102 1 16 HELIX 11 11 ASP C 2 CYS C 14 1 13 HELIX 12 12 THR C 49 ASN C 54 1 6 HELIX 13 13 LYS C 60 ASN C 70 1 11 HELIX 14 14 ASN C 70 ILE C 75 1 6 HELIX 15 15 LYS C 87 THR C 102 1 16 HELIX 16 16 ASP D 2 CYS D 14 1 13 HELIX 17 17 THR D 49 LYS D 55 1 7 HELIX 18 18 LYS D 60 ASN D 70 1 11 HELIX 19 19 ASN D 70 ILE D 75 1 6 HELIX 20 20 LYS D 87 THR D 102 1 16 LINK NE2 HIS C 18 FE HEM C 105 1555 1555 1.97 LINK NE2 HIS D 18 FE HEM D 105 1555 1555 1.97 LINK NE2 HIS A 18 FE HEM A 105 1555 1555 1.99 LINK NE2 HIS B 18 FE HEM B 105 1555 1555 1.99 LINK SG CYS A 14 CAB HEM A 105 1555 1555 1.84 LINK SG CYS A 17 CAC HEM A 105 1555 1555 1.84 LINK SG CYS B 14 CAB HEM B 105 1555 1555 1.84 LINK SG CYS B 17 CAC HEM B 105 1555 1555 1.85 LINK SG CYS C 14 CAB HEM C 105 1555 1555 1.84 LINK SG CYS C 17 CAC HEM C 105 1555 1555 1.84 LINK SG CYS D 14 CAB HEM D 105 1555 1555 1.84 LINK SG CYS D 17 CAC HEM D 105 1555 1555 1.86 LINK FE HEM C 105 O HOH C 203 1555 1555 2.08 LINK FE HEM A 105 O HOH A 201 1555 1555 2.10 LINK FE HEM D 105 O HOH D 204 1555 1555 2.10 LINK FE HEM B 105 O HOH B 202 1555 1555 2.10 SITE *** AC1 19 LYS A 13 CYS A 14 CYS A 17 HIS A 18 SITE *** AC1 19 THR A 28 GLY A 29 THR A 40 GLY A 41 SITE *** AC1 19 TYR A 48 THR A 49 ASN A 52 TRP A 59 SITE *** AC1 19 TYR A 67 THR A 78 HOH A 201 HOH A 358 SITE *** AC1 19 HOH A 403 PHE B 82 LEU B 94 SITE *** AC2 11 LYS A 55 ILE A 57 GLU A 66 LYS A 73 SITE *** AC2 11 TYR A 74 PRO A 76 LYS D 55 GLU D 66 SITE *** AC2 11 LYS D 73 TYR D 74 PRO D 76 SITE *** AC3 19 PHE A 82 LEU A 94 LYS B 13 CYS B 14 SITE *** AC3 19 CYS B 17 HIS B 18 THR B 28 THR B 40 SITE *** AC3 19 GLY B 41 TYR B 48 THR B 49 ASN B 52 SITE *** AC3 19 TRP B 59 TYR B 67 THR B 78 HOH B 202 SITE *** AC3 19 HOH B 207 HOH B 320 PEG B2004 SITE *** AC4 4 GLN A 16 THR A 28 GLN B 16 HEM B 105 SITE *** AC5 20 LYS C 13 CYS C 14 CYS C 17 HIS C 18 SITE *** AC5 20 THR C 28 ARG C 38 THR C 40 GLY C 41 SITE *** AC5 20 TYR C 48 THR C 49 ASN C 52 TRP C 59 SITE *** AC5 20 TYR C 67 THR C 78 HOH C 203 HOH C 362 SITE *** AC5 20 HOH C 441 MET D 80 PHE D 82 LEU D 94 SITE *** AC6 9 HOH A 420 TYR B 97 LYS B 100 GLU B 104 SITE *** AC6 9 TYR C 97 LYS C 100 GLU C 104 LYS D 7 SITE *** AC6 9 HOH D 297 SITE *** AC7 11 LYS B 55 GLU B 66 LYS B 73 TYR B 74 SITE *** AC7 11 PRO B 76 HOH B 389 LYS C 55 GLU C 66 SITE *** AC7 11 LYS C 73 TYR C 74 PRO C 76 SITE *** AC8 20 PHE C 82 ILE C 85 LEU C 94 LYS D 13 SITE *** AC8 20 CYS D 14 CYS D 17 HIS D 18 THR D 28 SITE *** AC8 20 THR D 40 GLY D 41 TYR D 48 THR D 49 SITE *** AC8 20 ASN D 52 TRP D 59 TYR D 67 THR D 78 SITE *** AC8 20 HOH D 204 HOH D 252 HOH D 300 PEG D2003 SITE *** AC9 9 TYR A 97 LYS A 100 GLU A 104 HOH B 345 SITE *** AC9 9 LYS C 7 HOH C 271 TYR D 97 LYS D 100 SITE *** AC9 9 GLU D 104 SITE *** BC1 3 THR C 28 GLN D 16 HEM D 105 CRYST1 41.753 56.305 60.815 66.28 89.94 73.66 P 1 4 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 0.023950 -0.007022 0.003214 0.00000 SCALE2 0.000000 0.018508 -0.008539 0.00000 SCALE3 0.000000 0.000000 0.018109 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: B 18 HIS HE2 : B 18 HIS NE2 : B 105 HEMFE :(H bumps) USER MOD NoAdj-H: C 18 HIS HE2 : C 18 HIS NE2 : C 105 HEMFE :(H bumps) USER MOD NoAdj-H: D 18 HIS HE2 : D 18 HIS NE2 : D 105 HEMFE :(H bumps) USER MOD Set 1.1: C 79 LYS NZ :NH3+ -159:sc= -2.09! (180deg=-2.87!) USER MOD Set 1.2: D 72 LYS NZ :NH3+ -119:sc= -2.34! (180deg=-3.08!) USER MOD Set 2.1: D 39 LYS NZ :NH3+ -168:sc= -0.142 (180deg=-0.463) USER MOD Set 2.2: D 58 THR OG1 : rot 180:sc= 0.218 USER MOD Set 3.1: D 19 THR OG1 : rot -128:sc= 0.719 USER MOD Set 3.2: D 31 ASN : amide:sc= 0.878 K(o=1.6,f=-1.8!) USER MOD Set 4.1: C 55 LYS NZ :NH3+ -157:sc= 0.225 (180deg=0.104) USER MOD Set 4.2: C2001 PG4 O5 : rot 180:sc= 0.0102 USER MOD Set 5.1: A 7 LYS NZ :NH3+ -135:sc= 1.89 (180deg=-0.293) USER MOD Set 5.2: C 97 TYR OH : rot -22:sc= 1.94 USER MOD Set 6.1: C 53 LYS NZ :NH3+ -175:sc= 0.636 (180deg=0.113) USER MOD Set 6.2: C 54 ASN : amide:sc= -0.507 K(o=0.13,f=-8.6!) USER MOD Set 7.1: C 39 LYS NZ :NH3+ -110:sc= 0.111 (180deg=-0.297) USER MOD Set 7.2: C 42 GLN : amide:sc= -5.76! C(o=-5.6!,f=-6.7!) USER MOD Set 8.1: C 19 THR OG1 : rot -124:sc= 1.32 USER MOD Set 8.2: C 31 ASN : amide:sc= 0.947 K(o=2.3,f=-3.4!) USER MOD Set 9.1: B 16 GLN : amide:sc= -7.06! C(o=-7.1!,f=-2.3!) USER MOD Set 9.2: B2004 PEG O4 : rot 180:sc= 0 USER MOD Set10.1: B 97 TYR OH : rot -28:sc= 1.65 USER MOD Set10.2: D 7 LYS NZ :NH3+ -168:sc= 2.06 (180deg=1.67) USER MOD Set11.1: B 22 LYS NZ :NH3+ -168:sc= 1.29 (180deg=-0.0201) USER MOD Set11.2: B 33 HIS : no HE2:sc= -2.32 K(o=-1,f=-7.6!) USER MOD Set12.1: B 19 THR OG1 : rot -105:sc= 1.28 USER MOD Set12.2: B 31 ASN : amide:sc= 0.00947 K(o=1.3,f=-1.2) USER MOD Set13.1: A 55 LYS NZ :NH3+ -165:sc= 1.77 (180deg=0.941) USER MOD Set13.2: A2002 PG4 O1 : rot -19:sc= 0.00402 USER MOD Set13.3: A2002 PG4 O5 : rot 180:sc= 0.505 USER MOD Set14.1: A 19 THR OG1 : rot -118:sc= 1.09 USER MOD Set14.2: A 31 ASN : amide:sc= -1.04! C(o=0.051!,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 137:sc= 0.211 (180deg=-0.0162) USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= -0.0316 (180deg=-0.239) USER MOD Single : A 12 GLN : amide:sc= 0.203 X(o=0.2,f=-0.056) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -8.38! C(o=-8.4!,f=-8.3!) USER MOD Single : A 22 LYS NZ :NH3+ -105:sc= 1.26 (180deg=-0.776) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc=-0.00843 (180deg=-0.115) USER MOD Single : A 26 HIS : no HD1:sc= 2.02 K(o=2,f=-8.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 56:sc= 1.2 USER MOD Single : A 33 HIS : no HD1:sc= -3.99! C(o=-4!,f=-13!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -109:sc= -0.909 USER MOD Single : A 42 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.45) USER MOD Single : A 47 THR OG1 : rot -65:sc= 0 USER MOD Single : A 48 TYR OH : rot -31:sc= 0.705 USER MOD Single : A 49 THR OG1 : rot -104:sc= 0.244 USER MOD Single : A 52 ASN : amide:sc= 1.08 K(o=1.1,f=-1) USER MOD Single : A 53 LYS NZ :NH3+ 156:sc= 0.00804 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.015) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= 0.383 (180deg=0.127) USER MOD Single : A 63 THR OG1 : rot -155:sc= 1.18 USER MOD Single : A 65 MET CE :methyl -137:sc= 0 (180deg=-0.0192) USER MOD Single : A 67 TYR OH : rot 133:sc= 2.1 USER MOD Single : A 70 ASN : amide:sc= 0.506 K(o=0.51,f=-4.8!) USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.419) USER MOD Single : A 73 LYS NZ :NH3+ 130:sc= -0.0328 (180deg=-0.231) USER MOD Single : A 74 TYR OH : rot 165:sc= -0.0845 USER MOD Single : A 78 THR OG1 : rot 55:sc= 1.75 USER MOD Single : A 79 LYS NZ :NH3+ 176:sc=-0.00488 (180deg=-0.0177) USER MOD Single : A 80 MET CE :methyl 145:sc= -6.49! (180deg=-9.62!) USER MOD Single : A 86 LYS NZ :NH3+ 171:sc= -0.0105 (180deg=-0.0679) USER MOD Single : A 87 LYS NZ :NH3+ 128:sc= 1.3 (180deg=0.44) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 169:sc= 2 (180deg=1.98) USER MOD Single : A 100 LYS NZ :NH3+ -160:sc= 1.01 (180deg=0.763) USER MOD Single : A 102 THR OG1 : rot -87:sc= 2.32 USER MOD Single : A 103 ASN : amide:sc= 1.29 K(o=1.3,f=0.054) USER MOD Single : A 105 HEM CMA :methyl 150:sc= -0.155 (180deg=-0.155) USER MOD Single : A 105 HEM CMB :methyl -30:sc= -1.76 (180deg=-2.31) USER MOD Single : A 105 HEM CMC :methyl -30:sc= -0.897 (180deg=-1.38) USER MOD Single : A 105 HEM CMD :methyl -30:sc= -1.44 (180deg=-3.19!) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 164:sc= -1.63! (180deg=-1.97!) USER MOD Single : B 7 LYS NZ :NH3+ -177:sc= 0.624 (180deg=0.62) USER MOD Single : B 8 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.26) USER MOD Single : B 12 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.0076) USER MOD Single : B 13 LYS NZ :NH3+ 158:sc= -0.0904 (180deg=-0.469) USER MOD Single : B 25 LYS NZ :NH3+ 176:sc=-0.00341 (180deg=-0.021) USER MOD Single : B 26 HIS : no HD1:sc= 0.988 K(o=0.99,f=-11!) USER MOD Single : B 27 LYS NZ :NH3+ -162:sc= -0.0719 (180deg=-0.266) USER MOD Single : B 28 THR OG1 : rot 36:sc= 1.42 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 THR OG1 : rot 111:sc= -0.0765 USER MOD Single : B 42 GLN : amide:sc= -0.501 K(o=-0.5,f=-2.3) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 TYR OH : rot -45:sc= -0.873 USER MOD Single : B 49 THR OG1 : rot -100:sc= 0.838 USER MOD Single : B 52 ASN : amide:sc= -1.26! K(o=-1.3!,f=-2.4) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 ASN : amide:sc= -0.0329 X(o=-0.033,f=-0.0035) USER MOD Single : B 55 LYS NZ :NH3+ -157:sc= 1.07 (180deg=0.726) USER MOD Single : B 58 THR OG1 : rot 80:sc= 1.49 USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 THR OG1 : rot -158:sc= 1.04 USER MOD Single : B 65 MET CE :methyl -119:sc= -0.229 (180deg=-0.549) USER MOD Single : B 67 TYR OH : rot 122:sc= 2.03 USER MOD Single : B 70 ASN : amide:sc= -0.449 K(o=-0.45,f=-5.9!) USER MOD Single : B 72 LYS NZ :NH3+ -175:sc= 0.5 (180deg=0.465) USER MOD Single : B 73 LYS NZ :NH3+ 175:sc=-0.00354 (180deg=-0.0232) USER MOD Single : B 74 TYR OH : rot 150:sc= 0 USER MOD Single : B 78 THR OG1 : rot 61:sc= 1.99 USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 MET CE :methyl 173:sc= -0.232 (180deg=-0.257) USER MOD Single : B 86 LYS NZ :NH3+ -154:sc= -0.115 (180deg=-0.433) USER MOD Single : B 87 LYS NZ :NH3+ 154:sc= 1.35 (180deg=1.25) USER MOD Single : B 88 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0167) USER MOD Single : B 89 THR OG1 : rot -109:sc= 0.0606 USER MOD Single : B 99 LYS NZ :NH3+ -165:sc= 1.33 (180deg=1.15) USER MOD Single : B 100 LYS NZ :NH3+ -159:sc= 0.958 (180deg=0.673) USER MOD Single : B 102 THR OG1 : rot -67:sc= 2.23 USER MOD Single : B 103 ASN : amide:sc= 2.63 K(o=2.6,f=-1.7!) USER MOD Single : B 105 HEM CMA :methyl 150:sc= -0.217 (180deg=-0.217) USER MOD Single : B 105 HEM CMB :methyl -30:sc= -1.65 (180deg=-2.82!) USER MOD Single : B 105 HEM CMC :methyl -30:sc= -0.267 (180deg=-0.878) USER MOD Single : B 105 HEM CMD :methyl -30:sc= -0.478 (180deg=-2.27) USER MOD Single : B2004 PEG O1 : rot 180:sc= 0 USER MOD Single : C 1 GLY N :NH3+ -115:sc= 0.0491 (180deg=0) USER MOD Single : C 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 8 LYS NZ :NH3+ 166:sc= -0.0298 (180deg=-0.197) USER MOD Single : C 12 GLN : amide:sc= -0.3 K(o=-0.3,f=0.8) USER MOD Single : C 13 LYS NZ :NH3+ 140:sc= -0.0611 (180deg=-0.336) USER MOD Single : C 16 GLN : amide:sc= 0.73 K(o=0.73,f=-6.5!) USER MOD Single : C 22 LYS NZ :NH3+ 133:sc= 1.02 (180deg=0.0718) USER MOD Single : C 25 LYS NZ :NH3+ -147:sc= -4.61! (180deg=-6.8!) USER MOD Single : C 26 HIS : no HD1:sc= 1.39 K(o=1.4,f=-9.7!) USER MOD Single : C 27 LYS NZ :NH3+ -178:sc= 0.339 (180deg=0.337) USER MOD Single : C 28 THR OG1 : rot 71:sc= 1.25 USER MOD Single : C 33 HIS : no HD1:sc= 1.78 K(o=1.8,f=-8.5!) USER MOD Single : C 40 THR OG1 : rot 110:sc= 0.0178 USER MOD Single : C 47 THR OG1 : rot 180:sc= 0 USER MOD Single : C 48 TYR OH : rot -21:sc= -0.364 USER MOD Single : C 49 THR OG1 : rot -107:sc= 0.818 USER MOD Single : C 52 ASN : amide:sc= 0.109 K(o=0.11,f=-0.68) USER MOD Single : C 58 THR OG1 : rot 180:sc= 0 USER MOD Single : C 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 63 THR OG1 : rot -148:sc= 0.437 USER MOD Single : C 65 MET CE :methyl -118:sc= -0.27 (180deg=-0.502) USER MOD Single : C 67 TYR OH : rot 123:sc= 2.61 USER MOD Single : C 70 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.7!) USER MOD Single : C 72 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.19) USER MOD Single : C 73 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0528) USER MOD Single : C 74 TYR OH : rot 165:sc= 0 USER MOD Single : C 78 THR OG1 : rot 55:sc= 1.7 USER MOD Single : C 80 MET CE :methyl -156:sc= -0.228 (180deg=-0.529) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 87 LYS NZ :NH3+ 174:sc=-0.00347 (180deg=-0.0448) USER MOD Single : C 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 89 THR OG1 : rot -83:sc= 0 USER MOD Single : C 99 LYS NZ :NH3+ 176:sc= 0.859 (180deg=0.815) USER MOD Single : C 100 LYS NZ :NH3+ -148:sc= 1.82 (180deg=0.852) USER MOD Single : C 102 THR OG1 : rot -87:sc= 2.44 USER MOD Single : C 103 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.3!) USER MOD Single : C 105 HEM CMA :methyl -30:sc= -0.219 (180deg=-0.302) USER MOD Single : C 105 HEM CMB :methyl 150:sc= -1.18 (180deg=-1.18) USER MOD Single : C 105 HEM CMC :methyl 150:sc= -0.807 (180deg=-0.807) USER MOD Single : C 105 HEM CMD :methyl -30:sc= -0.717 (180deg=-3.41!) USER MOD Single : C2001 PG4 O1 : rot 180:sc= 0 USER MOD Single : D 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 5 LYS NZ :NH3+ 159:sc= 1.17 (180deg=0.494) USER MOD Single : D 8 LYS NZ :NH3+ -126:sc= 0.982 (180deg=-0.295) USER MOD Single : D 12 GLN : amide:sc= 0.0865! X(o=0.087!,f=-0.22) USER MOD Single : D 13 LYS NZ :NH3+ 155:sc= -0.152 (180deg=-1.01) USER MOD Single : D 16 GLN : amide:sc= -1.96! K(o=-2!,f=0.096) USER MOD Single : D 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 26 HIS : no HD1:sc= 1.01 K(o=1,f=-8.3!) USER MOD Single : D 27 LYS NZ :NH3+ -140:sc= 1.32 (180deg=1.21) USER MOD Single : D 28 THR OG1 : rot 105:sc= 1.42 USER MOD Single : D 33 HIS : no HD1:sc= -0.507 K(o=-0.51,f=-8!) USER MOD Single : D 40 THR OG1 : rot 113:sc= -0.616 USER MOD Single : D 42 GLN : amide:sc= 0.148 X(o=0.15,f=-0.19) USER MOD Single : D 47 THR OG1 : rot 180:sc= 0 USER MOD Single : D 48 TYR OH : rot -53:sc= -1.32! USER MOD Single : D 49 THR OG1 : rot -105:sc= 1.05 USER MOD Single : D 52 ASN : amide:sc= -2.37! X(o=-2.4!,f=-2) USER MOD Single : D 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 54 ASN : amide:sc= -0.0892 X(o=-0.089,f=0) USER MOD Single : D 55 LYS NZ :NH3+ -163:sc= 0.655 (180deg=0.51) USER MOD Single : D 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 63 THR OG1 : rot -150:sc= 0.788 USER MOD Single : D 65 MET CE :methyl -127:sc= -0.108 (180deg=-0.87) USER MOD Single : D 67 TYR OH : rot 133:sc= 1.85 USER MOD Single : D 70 ASN : amide:sc= 0.655 K(o=0.65,f=-4.8!) USER MOD Single : D 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 74 TYR OH : rot 30:sc= 0 USER MOD Single : D 78 THR OG1 : rot 59:sc= 1.77 USER MOD Single : D 79 LYS NZ :NH3+ -179:sc= -0.417 (180deg=-0.418) USER MOD Single : D 80 MET CE :methyl 172:sc= -0.139 (180deg=-0.232) USER MOD Single : D 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 87 LYS NZ :NH3+ 172:sc=-0.00222 (180deg=-0.11) USER MOD Single : D 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 89 THR OG1 : rot 180:sc= -0.191 USER MOD Single : D 97 TYR OH : rot 5:sc= 1.33 USER MOD Single : D 99 LYS NZ :NH3+ -179:sc= 0.41 (180deg=0.407) USER MOD Single : D 100 LYS NZ :NH3+ -161:sc= 2.35 (180deg=1.94) USER MOD Single : D 102 THR OG1 : rot -92:sc= 1.88 USER MOD Single : D 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 105 HEM CMA :methyl 150:sc= -0.167 (180deg=-0.167) USER MOD Single : D 105 HEM CMB :methyl 150:sc= -1.59 (180deg=-1.59) USER MOD Single : D 105 HEM CMC :methyl -30:sc= -1.63 (180deg=-3.25!) USER MOD Single : D 105 HEM CMD :methyl -30:sc= -1.45 (180deg=-1.85) USER MOD Single : D2003 PEG O1 : rot 180:sc= 0 USER MOD Single : D2003 PEG O4 : rot 180:sc= -0.157 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.810 -12.458 11.893 1.00 15.72 N ATOM 2 CA GLY A 1 21.904 -11.267 11.722 1.00 12.89 C ATOM 3 C GLY A 1 21.665 -10.514 13.018 1.00 12.47 C ATOM 4 O GLY A 1 21.483 -11.133 14.064 1.00 11.81 O ATOM 0 H1 GLY A 1 22.918 -12.864 11.108 1.00 15.72 H new ATOM 0 H2 GLY A 1 23.601 -12.188 12.199 1.00 15.72 H new ATOM 0 H3 GLY A 1 22.447 -13.027 12.473 1.00 15.72 H new ATOM 0 HA2 GLY A 1 22.292 -10.663 11.069 1.00 12.89 H new ATOM 0 HA3 GLY A 1 21.053 -11.563 11.364 1.00 12.89 H new ATOM 5 N ASP A 2 21.646 -9.183 12.948 1.00 12.79 N ATOM 6 CA ASP A 2 21.444 -8.336 14.129 1.00 13.68 C ATOM 7 C ASP A 2 19.976 -7.992 14.396 1.00 13.20 C ATOM 8 O ASP A 2 19.383 -7.154 13.709 1.00 11.91 O ATOM 9 CB ASP A 2 22.274 -7.052 13.989 1.00 14.49 C ATOM 10 CG ASP A 2 22.141 -6.120 15.193 1.00 19.17 C ATOM 11 OD1 ASP A 2 23.049 -5.280 15.383 1.00 19.24 O ATOM 12 OD2 ASP A 2 21.138 -6.210 15.938 1.00 18.92 O ATOM 0 H ASP A 2 21.750 -8.744 12.216 1.00 12.79 H new ATOM 0 HA ASP A 2 21.742 -8.850 14.896 1.00 13.68 H new ATOM 0 HB2 ASP A 2 23.207 -7.288 13.870 1.00 14.49 H new ATOM 0 HB3 ASP A 2 21.997 -6.579 13.188 1.00 14.49 H new ATOM 13 N VAL A 3 19.414 -8.632 15.422 1.00 13.43 N ATOM 14 CA VAL A 3 18.016 -8.451 15.822 1.00 11.62 C ATOM 15 C VAL A 3 17.581 -7.012 16.128 1.00 13.29 C ATOM 16 O VAL A 3 16.559 -6.556 15.614 1.00 13.04 O ATOM 17 CB VAL A 3 17.675 -9.350 17.046 1.00 10.65 C ATOM 18 CG1 VAL A 3 16.367 -8.910 17.686 1.00 9.43 C ATOM 19 CG2 VAL A 3 17.557 -10.803 16.603 1.00 9.64 C ATOM 0 H VAL A 3 19.841 -9.193 15.914 1.00 13.43 H new ATOM 0 HA VAL A 3 17.516 -8.713 15.033 1.00 11.62 H new ATOM 0 HB VAL A 3 18.388 -9.264 17.698 1.00 10.65 H new ATOM 0 HG11 VAL A 3 16.170 -9.480 18.446 1.00 9.43 H new ATOM 0 HG12 VAL A 3 16.446 -7.990 17.984 1.00 9.43 H new ATOM 0 HG13 VAL A 3 15.650 -8.979 17.037 1.00 9.43 H new ATOM 0 HG21 VAL A 3 17.345 -11.359 17.369 1.00 9.64 H new ATOM 0 HG22 VAL A 3 16.853 -10.883 15.941 1.00 9.64 H new ATOM 0 HG23 VAL A 3 18.398 -11.093 16.217 1.00 9.64 H new ATOM 20 N GLU A 4 18.339 -6.303 16.961 1.00 13.68 N ATOM 21 CA GLU A 4 17.986 -4.925 17.307 1.00 14.10 C ATOM 22 C GLU A 4 17.860 -4.028 16.083 1.00 12.65 C ATOM 23 O GLU A 4 16.942 -3.206 16.001 1.00 11.29 O ATOM 24 CB GLU A 4 19.012 -4.322 18.272 1.00 15.83 C ATOM 25 CG GLU A 4 18.878 -2.807 18.434 1.00 19.26 C ATOM 26 CD GLU A 4 19.810 -2.231 19.488 1.00 21.64 C ATOM 27 OE1 GLU A 4 20.978 -2.676 19.560 1.00 20.94 O ATOM 28 OE2 GLU A 4 19.374 -1.323 20.235 1.00 22.55 O ATOM 0 H GLU A 4 19.056 -6.597 17.335 1.00 13.68 H new ATOM 0 HA GLU A 4 17.118 -4.968 17.737 1.00 14.10 H new ATOM 0 HB2 GLU A 4 18.915 -4.743 19.141 1.00 15.83 H new ATOM 0 HB3 GLU A 4 19.905 -4.529 17.954 1.00 15.83 H new ATOM 0 HG2 GLU A 4 19.059 -2.380 17.582 1.00 19.26 H new ATOM 0 HG3 GLU A 4 17.962 -2.593 18.669 1.00 19.26 H new ATOM 29 N LYS A 5 18.785 -4.172 15.139 1.00 12.26 N ATOM 30 CA LYS A 5 18.744 -3.365 13.925 1.00 11.71 C ATOM 31 C LYS A 5 17.553 -3.789 13.071 1.00 12.29 C ATOM 32 O LYS A 5 16.835 -2.945 12.524 1.00 10.09 O ATOM 33 CB LYS A 5 20.036 -3.533 13.116 1.00 14.64 C ATOM 34 CG LYS A 5 21.273 -2.855 13.712 1.00 15.20 C ATOM 35 CD LYS A 5 22.473 -3.071 12.803 1.00 15.34 C ATOM 36 CE LYS A 5 23.651 -2.200 13.187 1.00 17.39 C ATOM 37 NZ LYS A 5 24.136 -2.504 14.552 1.00 19.51 N ATOM 0 H LYS A 5 19.440 -4.727 15.181 1.00 12.26 H new ATOM 0 HA LYS A 5 18.655 -2.433 14.178 1.00 11.71 H new ATOM 0 HB2 LYS A 5 20.219 -4.481 13.020 1.00 14.64 H new ATOM 0 HB3 LYS A 5 19.890 -3.181 12.224 1.00 14.64 H new ATOM 0 HG2 LYS A 5 21.109 -1.906 13.823 1.00 15.20 H new ATOM 0 HG3 LYS A 5 21.456 -3.216 14.593 1.00 15.20 H new ATOM 0 HD2 LYS A 5 22.738 -4.003 12.838 1.00 15.34 H new ATOM 0 HD3 LYS A 5 22.219 -2.882 11.886 1.00 15.34 H new ATOM 0 HE2 LYS A 5 24.371 -2.331 12.551 1.00 17.39 H new ATOM 0 HE3 LYS A 5 23.394 -1.266 13.135 1.00 17.39 H new ATOM 0 HZ1 LYS A 5 25.026 -2.526 14.553 1.00 19.51 H new ATOM 0 HZ2 LYS A 5 23.854 -1.875 15.115 1.00 19.51 H new ATOM 0 HZ3 LYS A 5 23.820 -3.295 14.810 1.00 19.51 H new ATOM 38 N GLY A 6 17.353 -5.103 12.966 1.00 10.79 N ATOM 39 CA GLY A 6 16.250 -5.635 12.182 1.00 11.06 C ATOM 40 C GLY A 6 14.897 -5.175 12.689 1.00 9.43 C ATOM 41 O GLY A 6 13.949 -5.024 11.916 1.00 11.54 O ATOM 0 H GLY A 6 17.846 -5.699 13.342 1.00 10.79 H new ATOM 0 HA2 GLY A 6 16.354 -5.362 11.257 1.00 11.06 H new ATOM 0 HA3 GLY A 6 16.285 -6.604 12.198 1.00 11.06 H new ATOM 42 N LYS A 7 14.802 -4.963 13.996 1.00 7.91 N ATOM 43 CA LYS A 7 13.562 -4.496 14.595 1.00 7.48 C ATOM 44 C LYS A 7 13.272 -3.054 14.147 1.00 7.06 C ATOM 45 O LYS A 7 12.125 -2.700 13.853 1.00 3.28 O ATOM 46 CB LYS A 7 13.658 -4.586 16.127 1.00 6.99 C ATOM 47 CG LYS A 7 12.538 -3.865 16.886 1.00 8.44 C ATOM 48 CD LYS A 7 12.536 -4.209 18.377 1.00 9.04 C ATOM 49 CE LYS A 7 13.921 -4.093 19.008 1.00 12.13 C ATOM 50 NZ LYS A 7 13.976 -4.688 20.379 1.00 6.13 N ATOM 0 H LYS A 7 15.446 -5.084 14.553 1.00 7.91 H new ATOM 0 HA LYS A 7 12.829 -5.059 14.300 1.00 7.48 H new ATOM 0 HB2 LYS A 7 13.655 -5.521 16.384 1.00 6.99 H new ATOM 0 HB3 LYS A 7 14.510 -4.217 16.407 1.00 6.99 H new ATOM 0 HG2 LYS A 7 12.641 -2.907 16.777 1.00 8.44 H new ATOM 0 HG3 LYS A 7 11.681 -4.104 16.499 1.00 8.44 H new ATOM 0 HD2 LYS A 7 11.922 -3.618 18.841 1.00 9.04 H new ATOM 0 HD3 LYS A 7 12.205 -5.113 18.497 1.00 9.04 H new ATOM 0 HE2 LYS A 7 14.570 -4.536 18.440 1.00 12.13 H new ATOM 0 HE3 LYS A 7 14.175 -3.158 19.054 1.00 12.13 H new ATOM 0 HZ1 LYS A 7 14.410 -4.136 20.925 1.00 6.13 H new ATOM 0 HZ2 LYS A 7 13.149 -4.814 20.681 1.00 6.13 H new ATOM 0 HZ3 LYS A 7 14.402 -5.469 20.347 1.00 6.13 H new ATOM 51 N LYS A 8 14.315 -2.227 14.087 1.00 8.56 N ATOM 52 CA LYS A 8 14.146 -0.835 13.672 1.00 9.17 C ATOM 53 C LYS A 8 13.719 -0.761 12.214 1.00 11.10 C ATOM 54 O LYS A 8 12.835 0.025 11.853 1.00 9.57 O ATOM 55 CB LYS A 8 15.439 -0.048 13.839 1.00 10.99 C ATOM 56 CG LYS A 8 15.269 1.413 13.461 1.00 16.93 C ATOM 57 CD LYS A 8 16.594 2.143 13.376 1.00 20.40 C ATOM 58 CE LYS A 8 16.382 3.633 13.123 1.00 21.97 C ATOM 59 NZ LYS A 8 15.715 4.293 14.282 1.00 21.72 N ATOM 0 H LYS A 8 15.123 -2.450 14.281 1.00 8.56 H new ATOM 0 HA LYS A 8 13.460 -0.448 14.238 1.00 9.17 H new ATOM 0 HB2 LYS A 8 15.738 -0.110 14.760 1.00 10.99 H new ATOM 0 HB3 LYS A 8 16.132 -0.445 13.288 1.00 10.99 H new ATOM 0 HG2 LYS A 8 14.814 1.473 12.607 1.00 16.93 H new ATOM 0 HG3 LYS A 8 14.702 1.850 14.116 1.00 16.93 H new ATOM 0 HD2 LYS A 8 17.089 2.019 14.201 1.00 20.40 H new ATOM 0 HD3 LYS A 8 17.131 1.764 12.663 1.00 20.40 H new ATOM 0 HE2 LYS A 8 17.237 4.059 12.954 1.00 21.97 H new ATOM 0 HE3 LYS A 8 15.843 3.754 12.326 1.00 21.97 H new ATOM 0 HZ1 LYS A 8 15.798 5.176 14.209 1.00 21.72 H new ATOM 0 HZ2 LYS A 8 14.852 4.076 14.291 1.00 21.72 H new ATOM 0 HZ3 LYS A 8 16.097 4.021 15.039 1.00 21.72 H new ATOM 60 N ILE A 9 14.369 -1.567 11.377 1.00 9.64 N ATOM 61 CA ILE A 9 14.038 -1.611 9.958 1.00 9.37 C ATOM 62 C ILE A 9 12.586 -2.049 9.791 1.00 9.31 C ATOM 63 O ILE A 9 11.837 -1.449 9.018 1.00 9.58 O ATOM 64 CB ILE A 9 14.944 -2.603 9.190 1.00 8.65 C ATOM 65 CG1 ILE A 9 16.395 -2.139 9.253 1.00 8.29 C ATOM 66 CG2 ILE A 9 14.511 -2.685 7.728 1.00 9.63 C ATOM 67 CD1 ILE A 9 17.373 -3.117 8.644 1.00 8.57 C ATOM 0 H ILE A 9 15.005 -2.096 11.613 1.00 9.64 H new ATOM 0 HA ILE A 9 14.176 -0.722 9.594 1.00 9.37 H new ATOM 0 HB ILE A 9 14.863 -3.478 9.602 1.00 8.65 H new ATOM 0 HG12 ILE A 9 16.474 -1.288 8.795 1.00 8.29 H new ATOM 0 HG13 ILE A 9 16.637 -1.986 10.180 1.00 8.29 H new ATOM 0 HG21 ILE A 9 15.084 -3.309 7.255 1.00 9.63 H new ATOM 0 HG22 ILE A 9 13.592 -2.991 7.679 1.00 9.63 H new ATOM 0 HG23 ILE A 9 14.582 -1.808 7.320 1.00 9.63 H new ATOM 0 HD11 ILE A 9 18.273 -2.763 8.717 1.00 8.57 H new ATOM 0 HD12 ILE A 9 17.320 -3.963 9.115 1.00 8.57 H new ATOM 0 HD13 ILE A 9 17.154 -3.254 7.709 1.00 8.57 H new ATOM 68 N PHE A 10 12.180 -3.086 10.524 1.00 7.17 N ATOM 69 CA PHE A 10 10.811 -3.560 10.416 1.00 5.29 C ATOM 70 C PHE A 10 9.815 -2.467 10.772 1.00 6.15 C ATOM 71 O PHE A 10 8.824 -2.260 10.068 1.00 7.19 O ATOM 72 CB PHE A 10 10.552 -4.757 11.327 1.00 5.41 C ATOM 73 CG PHE A 10 9.192 -5.362 11.126 1.00 3.33 C ATOM 74 CD1 PHE A 10 8.967 -6.257 10.083 1.00 1.71 C ATOM 75 CD2 PHE A 10 8.118 -4.971 11.925 1.00 4.52 C ATOM 76 CE1 PHE A 10 7.696 -6.753 9.830 1.00 1.96 C ATOM 77 CE2 PHE A 10 6.833 -5.461 11.683 1.00 3.68 C ATOM 78 CZ PHE A 10 6.623 -6.354 10.630 1.00 4.98 C ATOM 0 H PHE A 10 12.675 -3.519 11.079 1.00 7.17 H new ATOM 0 HA PHE A 10 10.691 -3.826 9.491 1.00 5.29 H new ATOM 0 HB2 PHE A 10 11.229 -5.433 11.165 1.00 5.41 H new ATOM 0 HB3 PHE A 10 10.644 -4.479 12.252 1.00 5.41 H new ATOM 0 HD1 PHE A 10 9.679 -6.526 9.548 1.00 1.71 H new ATOM 0 HD2 PHE A 10 8.259 -4.377 12.627 1.00 4.52 H new ATOM 0 HE1 PHE A 10 7.559 -7.349 9.130 1.00 1.96 H new ATOM 0 HE2 PHE A 10 6.122 -5.194 12.220 1.00 3.68 H new ATOM 0 HZ PHE A 10 5.769 -6.683 10.462 1.00 4.98 H new ATOM 79 N VAL A 11 10.079 -1.784 11.879 1.00 6.05 N ATOM 80 CA VAL A 11 9.210 -0.712 12.346 1.00 8.41 C ATOM 81 C VAL A 11 9.085 0.433 11.344 1.00 8.85 C ATOM 82 O VAL A 11 8.040 1.057 11.239 1.00 12.16 O ATOM 83 CB VAL A 11 9.708 -0.143 13.706 1.00 7.80 C ATOM 84 CG1 VAL A 11 8.876 1.067 14.107 1.00 9.27 C ATOM 85 CG2 VAL A 11 9.611 -1.217 14.786 1.00 8.83 C ATOM 0 H VAL A 11 10.764 -1.928 12.379 1.00 6.05 H new ATOM 0 HA VAL A 11 8.333 -1.111 12.454 1.00 8.41 H new ATOM 0 HB VAL A 11 10.634 0.130 13.609 1.00 7.80 H new ATOM 0 HG11 VAL A 11 9.195 1.413 14.955 1.00 9.27 H new ATOM 0 HG12 VAL A 11 8.956 1.755 13.427 1.00 9.27 H new ATOM 0 HG13 VAL A 11 7.946 0.806 14.194 1.00 9.27 H new ATOM 0 HG21 VAL A 11 9.923 -0.856 15.631 1.00 8.83 H new ATOM 0 HG22 VAL A 11 8.688 -1.502 14.877 1.00 8.83 H new ATOM 0 HG23 VAL A 11 10.160 -1.977 14.537 1.00 8.83 H new ATOM 86 N GLN A 12 10.139 0.707 10.595 1.00 11.37 N ATOM 87 CA GLN A 12 10.087 1.806 9.640 1.00 13.80 C ATOM 88 C GLN A 12 9.566 1.440 8.250 1.00 13.46 C ATOM 89 O GLN A 12 8.839 2.218 7.633 1.00 10.24 O ATOM 90 CB GLN A 12 11.475 2.432 9.483 1.00 17.55 C ATOM 91 CG GLN A 12 12.115 2.912 10.779 1.00 20.74 C ATOM 92 CD GLN A 12 13.420 3.653 10.537 1.00 24.46 C ATOM 93 OE1 GLN A 12 14.270 3.199 9.768 1.00 24.84 O ATOM 94 NE2 GLN A 12 13.587 4.796 11.200 1.00 24.84 N ATOM 0 H GLN A 12 10.884 0.278 10.620 1.00 11.37 H new ATOM 0 HA GLN A 12 9.447 2.428 10.019 1.00 13.80 H new ATOM 0 HB2 GLN A 12 12.063 1.781 9.069 1.00 17.55 H new ATOM 0 HB3 GLN A 12 11.409 3.183 8.873 1.00 17.55 H new ATOM 0 HG2 GLN A 12 11.496 3.495 11.247 1.00 20.74 H new ATOM 0 HG3 GLN A 12 12.280 2.151 11.357 1.00 20.74 H new ATOM 0 HE21 GLN A 12 12.971 5.081 11.728 1.00 24.84 H new ATOM 0 HE22 GLN A 12 14.311 5.249 11.100 1.00 24.84 H new ATOM 95 N LYS A 13 9.937 0.259 7.763 1.00 13.85 N ATOM 96 CA LYS A 13 9.557 -0.169 6.418 1.00 14.66 C ATOM 97 C LYS A 13 8.462 -1.220 6.295 1.00 14.09 C ATOM 98 O LYS A 13 7.947 -1.426 5.199 1.00 14.26 O ATOM 99 CB LYS A 13 10.788 -0.708 5.688 1.00 15.99 C ATOM 100 CG LYS A 13 12.043 0.133 5.829 1.00 19.49 C ATOM 101 CD LYS A 13 11.981 1.394 4.989 1.00 21.87 C ATOM 102 CE LYS A 13 13.330 2.098 5.009 1.00 25.11 C ATOM 103 NZ LYS A 13 13.422 3.202 4.012 1.00 26.41 N ATOM 0 H LYS A 13 10.411 -0.312 8.197 1.00 13.85 H new ATOM 0 HA LYS A 13 9.185 0.638 6.029 1.00 14.66 H new ATOM 0 HB2 LYS A 13 10.976 -1.601 6.017 1.00 15.99 H new ATOM 0 HB3 LYS A 13 10.576 -0.792 4.745 1.00 15.99 H new ATOM 0 HG2 LYS A 13 12.168 0.372 6.761 1.00 19.49 H new ATOM 0 HG3 LYS A 13 12.815 -0.392 5.565 1.00 19.49 H new ATOM 0 HD2 LYS A 13 11.737 1.173 4.077 1.00 21.87 H new ATOM 0 HD3 LYS A 13 11.293 1.986 5.331 1.00 21.87 H new ATOM 0 HE2 LYS A 13 13.490 2.455 5.896 1.00 25.11 H new ATOM 0 HE3 LYS A 13 14.030 1.450 4.833 1.00 25.11 H new ATOM 0 HZ1 LYS A 13 14.226 3.581 4.062 1.00 26.41 H new ATOM 0 HZ2 LYS A 13 13.299 2.874 3.194 1.00 26.41 H new ATOM 0 HZ3 LYS A 13 12.796 3.811 4.184 1.00 26.41 H new ATOM 104 N CYS A 14 8.100 -1.882 7.392 1.00 13.12 N ATOM 105 CA CYS A 14 7.098 -2.946 7.310 1.00 12.29 C ATOM 106 C CYS A 14 5.894 -2.854 8.245 1.00 11.97 C ATOM 107 O CYS A 14 4.784 -3.226 7.865 1.00 11.51 O ATOM 108 CB CYS A 14 7.775 -4.300 7.546 1.00 11.12 C ATOM 109 SG CYS A 14 9.404 -4.513 6.755 1.00 10.70 S ATOM 0 H CYS A 14 8.414 -1.736 8.179 1.00 13.12 H new ATOM 0 HA CYS A 14 6.731 -2.841 6.418 1.00 12.29 H new ATOM 0 HB2 CYS A 14 7.878 -4.430 8.502 1.00 11.12 H new ATOM 0 HB3 CYS A 14 7.184 -4.999 7.226 1.00 11.12 H new ATOM 110 N ALA A 15 6.116 -2.370 9.463 1.00 11.25 N ATOM 111 CA ALA A 15 5.060 -2.290 10.460 1.00 11.49 C ATOM 112 C ALA A 15 3.774 -1.614 10.009 1.00 13.19 C ATOM 113 O ALA A 15 2.702 -1.864 10.566 1.00 12.24 O ATOM 114 CB ALA A 15 5.590 -1.614 11.712 1.00 10.64 C ATOM 0 H ALA A 15 6.880 -2.081 9.732 1.00 11.25 H new ATOM 0 HA ALA A 15 4.807 -3.210 10.633 1.00 11.49 H new ATOM 0 HB1 ALA A 15 4.884 -1.562 12.375 1.00 10.64 H new ATOM 0 HB2 ALA A 15 6.331 -2.128 12.069 1.00 10.64 H new ATOM 0 HB3 ALA A 15 5.894 -0.719 11.493 1.00 10.64 H new ATOM 115 N GLN A 16 3.867 -0.757 9.004 1.00 14.35 N ATOM 116 CA GLN A 16 2.682 -0.063 8.531 1.00 16.75 C ATOM 117 C GLN A 16 1.677 -1.009 7.883 1.00 16.10 C ATOM 118 O GLN A 16 0.471 -0.759 7.922 1.00 15.01 O ATOM 119 CB GLN A 16 3.067 1.059 7.555 1.00 19.52 C ATOM 120 CG GLN A 16 4.251 0.746 6.656 1.00 21.91 C ATOM 121 CD GLN A 16 5.580 0.837 7.382 1.00 22.04 C ATOM 122 OE1 GLN A 16 6.627 0.590 6.798 1.00 27.14 O ATOM 123 NE2 GLN A 16 5.543 1.199 8.656 1.00 22.73 N ATOM 0 H GLN A 16 4.595 -0.565 8.588 1.00 14.35 H new ATOM 0 HA GLN A 16 2.251 0.326 9.308 1.00 16.75 H new ATOM 0 HB2 GLN A 16 2.300 1.263 6.998 1.00 19.52 H new ATOM 0 HB3 GLN A 16 3.268 1.859 8.065 1.00 19.52 H new ATOM 0 HG2 GLN A 16 4.147 -0.146 6.290 1.00 21.91 H new ATOM 0 HG3 GLN A 16 4.254 1.361 5.906 1.00 21.91 H new ATOM 0 HE21 GLN A 16 4.789 1.365 9.034 1.00 22.73 H new ATOM 0 HE22 GLN A 16 6.273 1.268 9.105 1.00 22.73 H new ATOM 124 N CYS A 17 2.163 -2.102 7.303 1.00 16.22 N ATOM 125 CA CYS A 17 1.266 -3.059 6.654 1.00 15.81 C ATOM 126 C CYS A 17 1.227 -4.439 7.318 1.00 15.20 C ATOM 127 O CYS A 17 0.245 -5.168 7.158 1.00 13.65 O ATOM 128 CB CYS A 17 1.655 -3.246 5.184 1.00 15.55 C ATOM 129 SG CYS A 17 1.687 -1.730 4.175 1.00 17.57 S ATOM 0 H CYS A 17 2.997 -2.308 7.273 1.00 16.22 H new ATOM 0 HA CYS A 17 0.381 -2.671 6.741 1.00 15.81 H new ATOM 0 HB2 CYS A 17 2.533 -3.657 5.149 1.00 15.55 H new ATOM 0 HB3 CYS A 17 1.033 -3.871 4.779 1.00 15.55 H new ATOM 130 N HIS A 18 2.283 -4.789 8.057 1.00 13.23 N ATOM 131 CA HIS A 18 2.380 -6.108 8.695 1.00 11.30 C ATOM 132 C HIS A 18 2.533 -6.125 10.219 1.00 10.03 C ATOM 133 O HIS A 18 3.173 -5.248 10.803 1.00 11.65 O ATOM 134 CB HIS A 18 3.576 -6.874 8.106 1.00 11.65 C ATOM 135 CG HIS A 18 3.486 -7.130 6.631 1.00 11.57 C ATOM 136 ND1 HIS A 18 2.686 -8.115 6.091 1.00 11.46 N ATOM 137 CD2 HIS A 18 4.132 -6.558 5.586 1.00 10.95 C ATOM 138 CE1 HIS A 18 2.847 -8.143 4.779 1.00 10.85 C ATOM 139 NE2 HIS A 18 3.720 -7.209 4.446 1.00 11.00 N ATOM 0 H HIS A 18 2.957 -4.275 8.202 1.00 13.23 H new ATOM 0 HA HIS A 18 1.522 -6.519 8.507 1.00 11.30 H new ATOM 0 HB2 HIS A 18 4.387 -6.373 8.287 1.00 11.65 H new ATOM 0 HB3 HIS A 18 3.659 -7.724 8.566 1.00 11.65 H new ATOM 0 HD1 HIS A 18 2.163 -8.631 6.538 1.00 11.46 H new ATOM 0 HD2 HIS A 18 4.740 -5.856 5.631 1.00 10.95 H new ATOM 0 HE1 HIS A 18 2.419 -8.722 4.191 1.00 10.85 H new ATOM 140 N THR A 19 1.946 -7.135 10.859 1.00 8.89 N ATOM 141 CA THR A 19 2.087 -7.319 12.302 1.00 7.04 C ATOM 142 C THR A 19 2.791 -8.676 12.423 1.00 10.96 C ATOM 143 O THR A 19 2.565 -9.564 11.593 1.00 12.26 O ATOM 144 CB THR A 19 0.725 -7.364 13.039 1.00 6.65 C ATOM 145 OG1 THR A 19 -0.042 -8.482 12.582 1.00 5.43 O ATOM 146 CG2 THR A 19 -0.055 -6.075 12.799 1.00 3.29 C ATOM 0 H THR A 19 1.458 -7.729 10.472 1.00 8.89 H new ATOM 0 HA THR A 19 2.570 -6.582 12.707 1.00 7.04 H new ATOM 0 HB THR A 19 0.893 -7.456 13.990 1.00 6.65 H new ATOM 0 HG1 THR A 19 -0.751 -8.208 12.225 1.00 5.43 H new ATOM 0 HG21 THR A 19 -0.904 -6.119 13.266 1.00 3.29 H new ATOM 0 HG22 THR A 19 0.457 -5.320 13.129 1.00 3.29 H new ATOM 0 HG23 THR A 19 -0.215 -5.965 11.849 1.00 3.29 H new ATOM 147 N VAL A 20 3.650 -8.849 13.426 1.00 9.43 N ATOM 148 CA VAL A 20 4.369 -10.112 13.560 1.00 8.13 C ATOM 149 C VAL A 20 3.935 -10.948 14.753 1.00 9.23 C ATOM 150 O VAL A 20 4.190 -12.157 14.800 1.00 5.73 O ATOM 151 CB VAL A 20 5.898 -9.881 13.672 1.00 10.10 C ATOM 152 CG1 VAL A 20 6.406 -9.128 12.457 1.00 10.60 C ATOM 153 CG2 VAL A 20 6.220 -9.120 14.946 1.00 10.67 C ATOM 0 H VAL A 20 3.828 -8.261 14.027 1.00 9.43 H new ATOM 0 HA VAL A 20 4.149 -10.602 12.752 1.00 8.13 H new ATOM 0 HB VAL A 20 6.344 -10.742 13.707 1.00 10.10 H new ATOM 0 HG11 VAL A 20 7.363 -8.990 12.538 1.00 10.60 H new ATOM 0 HG12 VAL A 20 6.221 -9.643 11.656 1.00 10.60 H new ATOM 0 HG13 VAL A 20 5.959 -8.269 12.398 1.00 10.60 H new ATOM 0 HG21 VAL A 20 7.178 -8.981 15.007 1.00 10.67 H new ATOM 0 HG22 VAL A 20 5.769 -8.261 14.933 1.00 10.67 H new ATOM 0 HG23 VAL A 20 5.919 -9.631 15.713 1.00 10.67 H new ATOM 154 N GLU A 21 3.280 -10.303 15.715 1.00 9.41 N ATOM 155 CA GLU A 21 2.838 -10.984 16.922 1.00 11.30 C ATOM 156 C GLU A 21 1.872 -12.130 16.650 1.00 11.36 C ATOM 157 O GLU A 21 1.029 -12.047 15.763 1.00 12.79 O ATOM 158 CB GLU A 21 2.178 -9.990 17.881 1.00 10.24 C ATOM 159 CG GLU A 21 3.116 -8.967 18.512 1.00 9.85 C ATOM 160 CD GLU A 21 3.646 -7.954 17.520 1.00 10.86 C ATOM 161 OE1 GLU A 21 2.914 -7.606 16.572 1.00 11.72 O ATOM 162 OE2 GLU A 21 4.792 -7.494 17.697 1.00 12.91 O ATOM 0 H GLU A 21 3.082 -9.467 15.685 1.00 9.41 H new ATOM 0 HA GLU A 21 3.635 -11.366 17.322 1.00 11.30 H new ATOM 0 HB2 GLU A 21 1.482 -9.515 17.401 1.00 10.24 H new ATOM 0 HB3 GLU A 21 1.744 -10.489 18.591 1.00 10.24 H new ATOM 0 HG2 GLU A 21 2.647 -8.501 19.222 1.00 9.85 H new ATOM 0 HG3 GLU A 21 3.863 -9.431 18.922 1.00 9.85 H new ATOM 163 N LYS A 22 2.003 -13.204 17.417 1.00 12.02 N ATOM 164 CA LYS A 22 1.114 -14.346 17.261 1.00 13.20 C ATOM 165 C LYS A 22 -0.289 -13.824 17.525 1.00 12.93 C ATOM 166 O LYS A 22 -0.521 -13.152 18.529 1.00 11.58 O ATOM 167 CB LYS A 22 1.471 -15.439 18.273 1.00 14.28 C ATOM 168 CG LYS A 22 0.573 -16.670 18.203 1.00 17.66 C ATOM 169 CD LYS A 22 0.582 -17.289 16.811 1.00 19.61 C ATOM 170 CE LYS A 22 -0.199 -18.595 16.777 1.00 21.66 C ATOM 171 NZ LYS A 22 -0.126 -19.249 15.444 1.00 21.81 N ATOM 0 H LYS A 22 2.598 -13.292 18.032 1.00 12.02 H new ATOM 0 HA LYS A 22 1.188 -14.736 16.376 1.00 13.20 H new ATOM 0 HB2 LYS A 22 2.390 -15.713 18.128 1.00 14.28 H new ATOM 0 HB3 LYS A 22 1.423 -15.066 19.167 1.00 14.28 H new ATOM 0 HG2 LYS A 22 0.871 -17.326 18.852 1.00 17.66 H new ATOM 0 HG3 LYS A 22 -0.334 -16.424 18.443 1.00 17.66 H new ATOM 0 HD2 LYS A 22 0.199 -16.665 16.175 1.00 19.61 H new ATOM 0 HD3 LYS A 22 1.497 -17.450 16.533 1.00 19.61 H new ATOM 0 HE2 LYS A 22 0.150 -19.198 17.452 1.00 21.66 H new ATOM 0 HE3 LYS A 22 -1.127 -18.423 17.002 1.00 21.66 H new ATOM 0 HZ1 LYS A 22 -0.899 -19.139 15.017 1.00 21.81 H new ATOM 0 HZ2 LYS A 22 0.530 -18.882 14.968 1.00 21.81 H new ATOM 0 HZ3 LYS A 22 0.034 -20.118 15.548 1.00 21.81 H new ATOM 172 N GLY A 23 -1.216 -14.128 16.623 1.00 13.92 N ATOM 173 CA GLY A 23 -2.577 -13.652 16.780 1.00 13.25 C ATOM 174 C GLY A 23 -2.681 -12.253 16.207 1.00 15.34 C ATOM 175 O GLY A 23 -3.752 -11.650 16.198 1.00 16.67 O ATOM 0 H GLY A 23 -1.076 -14.604 15.921 1.00 13.92 H new ATOM 0 HA2 GLY A 23 -3.194 -14.247 16.326 1.00 13.25 H new ATOM 0 HA3 GLY A 23 -2.825 -13.649 17.718 1.00 13.25 H new ATOM 176 N GLY A 24 -1.551 -11.742 15.727 1.00 16.21 N ATOM 177 CA GLY A 24 -1.507 -10.415 15.144 1.00 16.62 C ATOM 178 C GLY A 24 -2.527 -10.247 14.040 1.00 18.27 C ATOM 179 O GLY A 24 -2.779 -11.169 13.265 1.00 18.20 O ATOM 0 H GLY A 24 -0.796 -12.154 15.732 1.00 16.21 H new ATOM 0 HA2 GLY A 24 -1.668 -9.754 15.835 1.00 16.62 H new ATOM 0 HA3 GLY A 24 -0.619 -10.247 14.791 1.00 16.62 H new ATOM 180 N LYS A 25 -3.103 -9.052 13.962 1.00 19.36 N ATOM 181 CA LYS A 25 -4.128 -8.736 12.973 1.00 20.06 C ATOM 182 C LYS A 25 -3.591 -8.594 11.549 1.00 19.16 C ATOM 183 O LYS A 25 -2.420 -8.283 11.346 1.00 18.49 O ATOM 184 CB LYS A 25 -4.817 -7.427 13.368 1.00 21.62 C ATOM 185 CG LYS A 25 -6.319 -7.392 13.127 1.00 26.76 C ATOM 186 CD LYS A 25 -7.082 -8.167 14.198 1.00 27.09 C ATOM 187 CE LYS A 25 -8.583 -8.186 13.915 1.00 27.46 C ATOM 188 NZ LYS A 25 -9.163 -6.816 13.816 1.00 26.62 N ATOM 0 H LYS A 25 -2.909 -8.397 14.485 1.00 19.36 H new ATOM 0 HA LYS A 25 -4.746 -9.484 12.969 1.00 20.06 H new ATOM 0 HB2 LYS A 25 -4.650 -7.261 14.309 1.00 21.62 H new ATOM 0 HB3 LYS A 25 -4.407 -6.700 12.874 1.00 21.62 H new ATOM 0 HG2 LYS A 25 -6.624 -6.471 13.115 1.00 26.76 H new ATOM 0 HG3 LYS A 25 -6.516 -7.767 12.254 1.00 26.76 H new ATOM 0 HD2 LYS A 25 -6.748 -9.077 14.240 1.00 27.09 H new ATOM 0 HD3 LYS A 25 -6.921 -7.765 15.066 1.00 27.09 H new ATOM 0 HE2 LYS A 25 -8.747 -8.664 13.087 1.00 27.46 H new ATOM 0 HE3 LYS A 25 -9.036 -8.676 14.619 1.00 27.46 H new ATOM 0 HZ1 LYS A 25 -10.051 -6.870 13.797 1.00 26.62 H new ATOM 0 HZ2 LYS A 25 -8.911 -6.335 14.521 1.00 26.62 H new ATOM 0 HZ3 LYS A 25 -8.874 -6.424 13.071 1.00 26.62 H new ATOM 189 N HIS A 26 -4.445 -8.843 10.563 1.00 18.89 N ATOM 190 CA HIS A 26 -4.042 -8.647 9.177 1.00 19.84 C ATOM 191 C HIS A 26 -4.299 -7.164 8.950 1.00 19.57 C ATOM 192 O HIS A 26 -5.266 -6.617 9.472 1.00 18.63 O ATOM 193 CB HIS A 26 -4.924 -9.423 8.192 1.00 21.27 C ATOM 194 CG HIS A 26 -4.737 -10.908 8.228 1.00 23.23 C ATOM 195 ND1 HIS A 26 -3.501 -11.502 8.364 1.00 22.64 N ATOM 196 CD2 HIS A 26 -5.628 -11.919 8.088 1.00 21.66 C ATOM 197 CE1 HIS A 26 -3.638 -12.815 8.307 1.00 24.36 C ATOM 198 NE2 HIS A 26 -4.919 -13.094 8.140 1.00 23.91 N ATOM 0 H HIS A 26 -5.251 -9.122 10.672 1.00 18.89 H new ATOM 0 HA HIS A 26 -3.130 -8.945 9.034 1.00 19.84 H new ATOM 0 HB2 HIS A 26 -5.854 -9.221 8.380 1.00 21.27 H new ATOM 0 HB3 HIS A 26 -4.741 -9.107 7.293 1.00 21.27 H new ATOM 0 HD2 HIS A 26 -6.547 -11.833 7.977 1.00 21.66 H new ATOM 0 HE1 HIS A 26 -2.950 -13.437 8.373 1.00 24.36 H new ATOM 0 HE2 HIS A 26 -5.254 -13.883 8.075 1.00 23.91 H new ATOM 199 N LYS A 27 -3.429 -6.515 8.190 1.00 20.54 N ATOM 200 CA LYS A 27 -3.589 -5.099 7.873 1.00 20.58 C ATOM 201 C LYS A 27 -3.570 -5.067 6.355 1.00 18.97 C ATOM 202 O LYS A 27 -4.115 -5.965 5.718 1.00 18.98 O ATOM 203 CB LYS A 27 -2.421 -4.272 8.436 1.00 22.41 C ATOM 204 CG LYS A 27 -2.455 -4.047 9.947 1.00 26.56 C ATOM 205 CD LYS A 27 -3.176 -2.736 10.319 1.00 30.81 C ATOM 206 CE LYS A 27 -4.651 -2.720 9.888 1.00 30.76 C ATOM 207 NZ LYS A 27 -5.326 -1.428 10.206 1.00 29.29 N ATOM 0 H LYS A 27 -2.731 -6.879 7.843 1.00 20.54 H new ATOM 0 HA LYS A 27 -4.397 -4.722 8.255 1.00 20.58 H new ATOM 0 HB2 LYS A 27 -1.589 -4.716 8.208 1.00 22.41 H new ATOM 0 HB3 LYS A 27 -2.412 -3.408 7.995 1.00 22.41 H new ATOM 0 HG2 LYS A 27 -2.902 -4.794 10.375 1.00 26.56 H new ATOM 0 HG3 LYS A 27 -1.548 -4.025 10.291 1.00 26.56 H new ATOM 0 HD2 LYS A 27 -3.123 -2.604 11.279 1.00 30.81 H new ATOM 0 HD3 LYS A 27 -2.715 -1.990 9.905 1.00 30.81 H new ATOM 0 HE2 LYS A 27 -4.708 -2.885 8.934 1.00 30.76 H new ATOM 0 HE3 LYS A 27 -5.122 -3.444 10.329 1.00 30.76 H new ATOM 0 HZ1 LYS A 27 -6.175 -1.463 9.940 1.00 29.29 H new ATOM 0 HZ2 LYS A 27 -5.296 -1.285 11.084 1.00 29.29 H new ATOM 0 HZ3 LYS A 27 -4.910 -0.764 9.784 1.00 29.29 H new ATOM 208 N THR A 28 -2.947 -4.047 5.777 1.00 16.35 N ATOM 209 CA THR A 28 -2.856 -3.964 4.330 1.00 15.87 C ATOM 210 C THR A 28 -2.228 -5.281 3.891 1.00 15.03 C ATOM 211 O THR A 28 -2.567 -5.836 2.846 1.00 15.58 O ATOM 212 CB THR A 28 -1.957 -2.796 3.900 1.00 15.32 C ATOM 213 OG1 THR A 28 -2.552 -1.562 4.319 1.00 14.20 O ATOM 214 CG2 THR A 28 -1.778 -2.783 2.396 1.00 15.02 C ATOM 0 H THR A 28 -2.574 -3.399 6.202 1.00 16.35 H new ATOM 0 HA THR A 28 -3.727 -3.814 3.931 1.00 15.87 H new ATOM 0 HB THR A 28 -1.087 -2.904 4.315 1.00 15.32 H new ATOM 0 HG1 THR A 28 -2.687 -1.583 5.148 1.00 14.20 H new ATOM 0 HG21 THR A 28 -1.208 -2.039 2.144 1.00 15.02 H new ATOM 0 HG22 THR A 28 -1.368 -3.615 2.112 1.00 15.02 H new ATOM 0 HG23 THR A 28 -2.643 -2.686 1.968 1.00 15.02 H new ATOM 215 N GLY A 29 -1.316 -5.774 4.722 1.00 13.42 N ATOM 216 CA GLY A 29 -0.646 -7.029 4.451 1.00 12.32 C ATOM 217 C GLY A 29 -1.057 -8.066 5.479 1.00 12.10 C ATOM 218 O GLY A 29 -1.738 -7.749 6.460 1.00 10.77 O ATOM 0 H GLY A 29 -1.073 -5.390 5.452 1.00 13.42 H new ATOM 0 HA2 GLY A 29 -0.871 -7.339 3.560 1.00 12.32 H new ATOM 0 HA3 GLY A 29 0.316 -6.903 4.474 1.00 12.32 H new ATOM 219 N PRO A 30 -0.662 -9.326 5.281 1.00 11.99 N ATOM 220 CA PRO A 30 -1.024 -10.382 6.233 1.00 10.40 C ATOM 221 C PRO A 30 -0.103 -10.498 7.439 1.00 9.23 C ATOM 222 O PRO A 30 1.067 -10.127 7.378 1.00 7.96 O ATOM 223 CB PRO A 30 -0.987 -11.637 5.369 1.00 11.58 C ATOM 224 CG PRO A 30 0.142 -11.343 4.432 1.00 11.51 C ATOM 225 CD PRO A 30 -0.114 -9.900 4.037 1.00 10.63 C ATOM 0 HA PRO A 30 -1.883 -10.206 6.648 1.00 10.40 H new ATOM 0 HB2 PRO A 30 -0.822 -12.435 5.896 1.00 11.58 H new ATOM 0 HB3 PRO A 30 -1.823 -11.776 4.897 1.00 11.58 H new ATOM 0 HG2 PRO A 30 1.004 -11.450 4.863 1.00 11.51 H new ATOM 0 HG3 PRO A 30 0.134 -11.933 3.662 1.00 11.51 H new ATOM 0 HD2 PRO A 30 0.700 -9.451 3.759 1.00 10.63 H new ATOM 0 HD3 PRO A 30 -0.741 -9.832 3.300 1.00 10.63 H new ATOM 226 N ASN A 31 -0.638 -11.003 8.546 1.00 10.76 N ATOM 227 CA ASN A 31 0.176 -11.202 9.746 1.00 10.54 C ATOM 228 C ASN A 31 1.309 -12.145 9.327 1.00 9.18 C ATOM 229 O ASN A 31 1.102 -13.037 8.508 1.00 8.37 O ATOM 230 CB ASN A 31 -0.670 -11.821 10.862 1.00 10.51 C ATOM 231 CG ASN A 31 0.168 -12.351 12.000 1.00 10.04 C ATOM 232 OD1 ASN A 31 0.731 -13.438 11.909 1.00 11.33 O ATOM 233 ND2 ASN A 31 0.272 -11.577 13.077 1.00 10.81 N ATOM 0 H ASN A 31 -1.462 -11.236 8.625 1.00 10.76 H new ATOM 0 HA ASN A 31 0.526 -10.366 10.091 1.00 10.54 H new ATOM 0 HB2 ASN A 31 -1.287 -11.155 11.202 1.00 10.51 H new ATOM 0 HB3 ASN A 31 -1.205 -12.542 10.495 1.00 10.51 H new ATOM 0 HD21 ASN A 31 0.749 -11.832 13.746 1.00 10.81 H new ATOM 0 HD22 ASN A 31 -0.137 -10.821 13.104 1.00 10.81 H new ATOM 234 N LEU A 32 2.502 -11.945 9.874 1.00 9.55 N ATOM 235 CA LEU A 32 3.650 -12.766 9.488 1.00 9.10 C ATOM 236 C LEU A 32 4.109 -13.826 10.480 1.00 9.37 C ATOM 237 O LEU A 32 5.086 -14.530 10.220 1.00 9.22 O ATOM 238 CB LEU A 32 4.830 -11.856 9.136 1.00 6.63 C ATOM 239 CG LEU A 32 4.555 -10.921 7.952 1.00 4.64 C ATOM 240 CD1 LEU A 32 5.716 -9.971 7.726 1.00 3.38 C ATOM 241 CD2 LEU A 32 4.310 -11.767 6.703 1.00 3.01 C ATOM 0 H LEU A 32 2.670 -11.345 10.466 1.00 9.55 H new ATOM 0 HA LEU A 32 3.331 -13.276 8.727 1.00 9.10 H new ATOM 0 HB2 LEU A 32 5.060 -11.322 9.913 1.00 6.63 H new ATOM 0 HB3 LEU A 32 5.602 -12.406 8.931 1.00 6.63 H new ATOM 0 HG LEU A 32 3.771 -10.384 8.146 1.00 4.64 H new ATOM 0 HD11 LEU A 32 5.518 -9.391 6.974 1.00 3.38 H new ATOM 0 HD12 LEU A 32 5.853 -9.433 8.521 1.00 3.38 H new ATOM 0 HD13 LEU A 32 6.520 -10.481 7.539 1.00 3.38 H new ATOM 0 HD21 LEU A 32 4.135 -11.185 5.947 1.00 3.01 H new ATOM 0 HD22 LEU A 32 5.094 -12.308 6.519 1.00 3.01 H new ATOM 0 HD23 LEU A 32 3.545 -12.346 6.849 1.00 3.01 H new ATOM 242 N HIS A 33 3.413 -13.952 11.607 1.00 6.78 N ATOM 243 CA HIS A 33 3.798 -14.943 12.604 1.00 7.81 C ATOM 244 C HIS A 33 3.833 -16.358 12.000 1.00 8.59 C ATOM 245 O HIS A 33 2.996 -16.707 11.175 1.00 8.29 O ATOM 246 CB HIS A 33 2.837 -14.885 13.791 1.00 7.98 C ATOM 247 CG HIS A 33 3.374 -15.532 15.026 1.00 6.21 C ATOM 248 ND1 HIS A 33 3.286 -16.887 15.258 1.00 8.20 N ATOM 249 CD2 HIS A 33 4.070 -15.017 16.065 1.00 6.00 C ATOM 250 CE1 HIS A 33 3.906 -17.177 16.387 1.00 8.31 C ATOM 251 NE2 HIS A 33 4.391 -16.060 16.896 1.00 5.97 N ATOM 0 H HIS A 33 2.724 -13.480 11.811 1.00 6.78 H new ATOM 0 HA HIS A 33 4.694 -14.735 12.913 1.00 7.81 H new ATOM 0 HB2 HIS A 33 2.630 -13.957 13.985 1.00 7.98 H new ATOM 0 HB3 HIS A 33 2.004 -15.317 13.545 1.00 7.98 H new ATOM 0 HD2 HIS A 33 4.290 -14.122 16.192 1.00 6.00 H new ATOM 0 HE1 HIS A 33 3.987 -18.025 16.760 1.00 8.31 H new ATOM 0 HE2 HIS A 33 4.836 -15.996 17.629 1.00 5.97 H new ATOM 252 N GLY A 34 4.815 -17.158 12.408 1.00 9.24 N ATOM 253 CA GLY A 34 4.954 -18.506 11.886 1.00 10.28 C ATOM 254 C GLY A 34 5.322 -18.520 10.408 1.00 12.71 C ATOM 255 O GLY A 34 5.049 -19.492 9.698 1.00 11.48 O ATOM 0 H GLY A 34 5.410 -16.935 12.987 1.00 9.24 H new ATOM 0 HA2 GLY A 34 5.635 -18.977 12.391 1.00 10.28 H new ATOM 0 HA3 GLY A 34 4.122 -18.987 12.014 1.00 10.28 H new ATOM 256 N LEU A 35 5.945 -17.439 9.939 1.00 13.06 N ATOM 257 CA LEU A 35 6.341 -17.319 8.532 1.00 12.43 C ATOM 258 C LEU A 35 7.365 -18.347 8.050 1.00 11.59 C ATOM 259 O LEU A 35 7.298 -18.822 6.912 1.00 12.57 O ATOM 260 CB LEU A 35 6.903 -15.916 8.262 1.00 12.29 C ATOM 261 CG LEU A 35 7.472 -15.691 6.854 1.00 12.53 C ATOM 262 CD1 LEU A 35 6.326 -15.684 5.855 1.00 13.98 C ATOM 263 CD2 LEU A 35 8.253 -14.387 6.794 1.00 7.55 C ATOM 0 H LEU A 35 6.150 -16.758 10.423 1.00 13.06 H new ATOM 0 HA LEU A 35 5.526 -17.489 8.034 1.00 12.43 H new ATOM 0 HB2 LEU A 35 6.199 -15.267 8.417 1.00 12.29 H new ATOM 0 HB3 LEU A 35 7.602 -15.735 8.909 1.00 12.29 H new ATOM 0 HG LEU A 35 8.085 -16.409 6.633 1.00 12.53 H new ATOM 0 HD11 LEU A 35 6.676 -15.542 4.962 1.00 13.98 H new ATOM 0 HD12 LEU A 35 5.862 -16.535 5.889 1.00 13.98 H new ATOM 0 HD13 LEU A 35 5.708 -14.970 6.076 1.00 13.98 H new ATOM 0 HD21 LEU A 35 8.605 -14.261 5.899 1.00 7.55 H new ATOM 0 HD22 LEU A 35 7.666 -13.648 7.017 1.00 7.55 H new ATOM 0 HD23 LEU A 35 8.987 -14.420 7.428 1.00 7.55 H new ATOM 264 N PHE A 36 8.319 -18.676 8.911 1.00 10.04 N ATOM 265 CA PHE A 36 9.369 -19.614 8.553 1.00 10.08 C ATOM 266 C PHE A 36 8.883 -21.045 8.481 1.00 8.07 C ATOM 267 O PHE A 36 8.491 -21.634 9.481 1.00 7.47 O ATOM 268 CB PHE A 36 10.547 -19.477 9.526 1.00 11.56 C ATOM 269 CG PHE A 36 11.341 -18.219 9.324 1.00 13.35 C ATOM 270 CD1 PHE A 36 10.749 -16.970 9.503 1.00 14.14 C ATOM 271 CD2 PHE A 36 12.670 -18.277 8.927 1.00 14.47 C ATOM 272 CE1 PHE A 36 11.472 -15.798 9.288 1.00 14.79 C ATOM 273 CE2 PHE A 36 13.406 -17.108 8.708 1.00 15.79 C ATOM 274 CZ PHE A 36 12.808 -15.869 8.889 1.00 14.37 C ATOM 0 H PHE A 36 8.375 -18.365 9.711 1.00 10.04 H new ATOM 0 HA PHE A 36 9.666 -19.387 7.658 1.00 10.08 H new ATOM 0 HB2 PHE A 36 10.211 -19.497 10.436 1.00 11.56 H new ATOM 0 HB3 PHE A 36 11.134 -20.242 9.423 1.00 11.56 H new ATOM 0 HD1 PHE A 36 9.860 -16.918 9.770 1.00 14.14 H new ATOM 0 HD2 PHE A 36 13.077 -19.105 8.805 1.00 14.47 H new ATOM 0 HE1 PHE A 36 11.065 -14.971 9.410 1.00 14.79 H new ATOM 0 HE2 PHE A 36 14.295 -17.161 8.441 1.00 15.79 H new ATOM 0 HZ PHE A 36 13.295 -15.090 8.745 1.00 14.37 H new ATOM 275 N GLY A 37 8.925 -21.591 7.273 1.00 8.87 N ATOM 276 CA GLY A 37 8.462 -22.941 7.035 1.00 10.23 C ATOM 277 C GLY A 37 7.125 -22.871 6.320 1.00 11.86 C ATOM 278 O GLY A 37 6.579 -23.887 5.900 1.00 12.10 O ATOM 0 H GLY A 37 9.222 -21.188 6.574 1.00 8.87 H new ATOM 0 HA2 GLY A 37 9.106 -23.429 6.499 1.00 10.23 H new ATOM 0 HA3 GLY A 37 8.371 -23.419 7.874 1.00 10.23 H new ATOM 279 N ARG A 38 6.585 -21.665 6.174 1.00 13.61 N ATOM 280 CA ARG A 38 5.305 -21.528 5.504 1.00 14.80 C ATOM 281 C ARG A 38 5.445 -21.177 4.036 1.00 13.94 C ATOM 282 O ARG A 38 6.331 -20.418 3.636 1.00 12.96 O ATOM 283 CB ARG A 38 4.421 -20.486 6.195 1.00 18.00 C ATOM 284 CG ARG A 38 3.006 -20.477 5.626 1.00 21.64 C ATOM 285 CD ARG A 38 2.021 -19.820 6.562 1.00 24.13 C ATOM 286 NE ARG A 38 2.230 -18.380 6.651 1.00 27.65 N ATOM 287 CZ ARG A 38 2.457 -17.728 7.784 1.00 29.02 C ATOM 288 NH1 ARG A 38 2.510 -18.389 8.937 1.00 27.23 N ATOM 289 NH2 ARG A 38 2.621 -16.412 7.763 1.00 30.94 N ATOM 0 H ARG A 38 6.937 -20.930 6.450 1.00 13.61 H new ATOM 0 HA ARG A 38 4.882 -22.399 5.563 1.00 14.80 H new ATOM 0 HB2 ARG A 38 4.386 -20.671 7.146 1.00 18.00 H new ATOM 0 HB3 ARG A 38 4.817 -19.606 6.092 1.00 18.00 H new ATOM 0 HG2 ARG A 38 3.004 -20.010 4.776 1.00 21.64 H new ATOM 0 HG3 ARG A 38 2.724 -21.388 5.449 1.00 21.64 H new ATOM 0 HD2 ARG A 38 1.118 -19.997 6.256 1.00 24.13 H new ATOM 0 HD3 ARG A 38 2.103 -20.213 7.445 1.00 24.13 H new ATOM 0 HE ARG A 38 2.205 -17.924 5.922 1.00 27.65 H new ATOM 0 HH11 ARG A 38 2.397 -19.241 8.950 1.00 27.23 H new ATOM 0 HH12 ARG A 38 2.657 -17.964 9.670 1.00 27.23 H new ATOM 0 HH21 ARG A 38 2.580 -15.985 7.017 1.00 30.94 H new ATOM 0 HH22 ARG A 38 2.768 -15.985 8.495 1.00 30.94 H new ATOM 290 N LYS A 39 4.556 -21.745 3.234 1.00 13.46 N ATOM 291 CA LYS A 39 4.561 -21.508 1.806 1.00 14.40 C ATOM 292 C LYS A 39 3.901 -20.169 1.551 1.00 13.93 C ATOM 293 O LYS A 39 3.118 -19.682 2.370 1.00 14.69 O ATOM 294 CB LYS A 39 3.804 -22.630 1.099 1.00 18.55 C ATOM 295 CG LYS A 39 4.399 -24.017 1.357 1.00 21.49 C ATOM 296 CD LYS A 39 3.475 -25.131 0.867 1.00 27.12 C ATOM 297 CE LYS A 39 3.108 -24.959 -0.608 1.00 29.78 C ATOM 298 NZ LYS A 39 2.200 -26.040 -1.106 1.00 31.28 N ATOM 0 H LYS A 39 3.936 -22.276 3.504 1.00 13.46 H new ATOM 0 HA LYS A 39 5.468 -21.494 1.462 1.00 14.40 H new ATOM 0 HB2 LYS A 39 2.879 -22.622 1.391 1.00 18.55 H new ATOM 0 HB3 LYS A 39 3.801 -22.458 0.144 1.00 18.55 H new ATOM 0 HG2 LYS A 39 5.257 -24.089 0.911 1.00 21.49 H new ATOM 0 HG3 LYS A 39 4.563 -24.127 2.307 1.00 21.49 H new ATOM 0 HD2 LYS A 39 3.908 -25.990 0.994 1.00 27.12 H new ATOM 0 HD3 LYS A 39 2.666 -25.139 1.402 1.00 27.12 H new ATOM 0 HE2 LYS A 39 2.679 -24.098 -0.733 1.00 29.78 H new ATOM 0 HE3 LYS A 39 3.919 -24.952 -1.141 1.00 29.78 H new ATOM 0 HZ1 LYS A 39 2.014 -25.900 -1.965 1.00 31.28 H new ATOM 0 HZ2 LYS A 39 2.600 -26.830 -1.015 1.00 31.28 H new ATOM 0 HZ3 LYS A 39 1.445 -26.034 -0.635 1.00 31.28 H new ATOM 299 N THR A 40 4.223 -19.568 0.417 1.00 14.79 N ATOM 300 CA THR A 40 3.660 -18.275 0.073 1.00 14.39 C ATOM 301 C THR A 40 2.138 -18.312 0.028 1.00 15.68 C ATOM 302 O THR A 40 1.539 -19.330 -0.326 1.00 14.47 O ATOM 303 CB THR A 40 4.195 -17.782 -1.292 1.00 15.33 C ATOM 304 OG1 THR A 40 3.959 -18.779 -2.296 1.00 13.18 O ATOM 305 CG2 THR A 40 5.677 -17.500 -1.204 1.00 11.80 C ATOM 0 H THR A 40 4.765 -19.892 -0.167 1.00 14.79 H new ATOM 0 HA THR A 40 3.934 -17.659 0.770 1.00 14.39 H new ATOM 0 HB THR A 40 3.730 -16.965 -1.530 1.00 15.33 H new ATOM 0 HG1 THR A 40 4.689 -19.129 -2.521 1.00 13.18 H new ATOM 0 HG21 THR A 40 6.000 -17.192 -2.065 1.00 11.80 H new ATOM 0 HG22 THR A 40 5.837 -16.816 -0.536 1.00 11.80 H new ATOM 0 HG23 THR A 40 6.147 -18.311 -0.955 1.00 11.80 H new ATOM 306 N GLY A 41 1.528 -17.195 0.416 1.00 15.98 N ATOM 307 CA GLY A 41 0.080 -17.060 0.396 1.00 19.34 C ATOM 308 C GLY A 41 -0.775 -18.084 1.126 1.00 20.50 C ATOM 309 O GLY A 41 -1.715 -18.631 0.544 1.00 19.48 O ATOM 0 H GLY A 41 1.944 -16.497 0.697 1.00 15.98 H new ATOM 0 HA2 GLY A 41 -0.136 -16.187 0.760 1.00 19.34 H new ATOM 0 HA3 GLY A 41 -0.199 -17.057 -0.533 1.00 19.34 H new ATOM 310 N GLN A 42 -0.483 -18.326 2.400 1.00 21.24 N ATOM 311 CA GLN A 42 -1.254 -19.294 3.169 1.00 21.68 C ATOM 312 C GLN A 42 -1.880 -18.726 4.438 1.00 23.39 C ATOM 313 O GLN A 42 -2.617 -19.426 5.134 1.00 22.86 O ATOM 314 CB GLN A 42 -0.374 -20.487 3.531 1.00 21.44 C ATOM 315 CG GLN A 42 0.026 -21.310 2.332 1.00 23.21 C ATOM 316 CD GLN A 42 -1.179 -21.777 1.543 1.00 23.64 C ATOM 317 OE1 GLN A 42 -1.347 -21.421 0.379 1.00 23.83 O ATOM 318 NE2 GLN A 42 -2.034 -22.572 2.181 1.00 23.61 N ATOM 0 H GLN A 42 0.153 -17.943 2.834 1.00 21.24 H new ATOM 0 HA GLN A 42 -1.989 -19.564 2.596 1.00 21.68 H new ATOM 0 HB2 GLN A 42 0.425 -20.169 3.980 1.00 21.44 H new ATOM 0 HB3 GLN A 42 -0.847 -21.052 4.162 1.00 21.44 H new ATOM 0 HG2 GLN A 42 0.605 -20.785 1.758 1.00 23.21 H new ATOM 0 HG3 GLN A 42 0.539 -22.079 2.624 1.00 23.21 H new ATOM 0 HE21 GLN A 42 -1.883 -22.800 2.996 1.00 23.61 H new ATOM 0 HE22 GLN A 42 -2.738 -22.858 1.778 1.00 23.61 H new ATOM 319 N ALA A 43 -1.589 -17.465 4.742 1.00 23.86 N ATOM 320 CA ALA A 43 -2.141 -16.842 5.939 1.00 23.33 C ATOM 321 C ALA A 43 -3.662 -16.832 5.853 1.00 22.98 C ATOM 322 O ALA A 43 -4.247 -16.119 5.036 1.00 23.87 O ATOM 323 CB ALA A 43 -1.612 -15.425 6.089 1.00 23.50 C ATOM 0 H ALA A 43 -1.078 -16.957 4.272 1.00 23.86 H new ATOM 0 HA ALA A 43 -1.869 -17.353 6.717 1.00 23.33 H new ATOM 0 HB1 ALA A 43 -1.987 -15.022 6.888 1.00 23.50 H new ATOM 0 HB2 ALA A 43 -0.645 -15.446 6.161 1.00 23.50 H new ATOM 0 HB3 ALA A 43 -1.867 -14.901 5.314 1.00 23.50 H new ATOM 324 N PRO A 44 -4.322 -17.635 6.699 1.00 22.48 N ATOM 325 CA PRO A 44 -5.784 -17.726 6.725 1.00 22.46 C ATOM 326 C PRO A 44 -6.459 -16.358 6.847 1.00 23.63 C ATOM 327 O PRO A 44 -5.999 -15.496 7.599 1.00 24.46 O ATOM 328 CB PRO A 44 -6.051 -18.597 7.950 1.00 22.42 C ATOM 329 CG PRO A 44 -4.834 -19.472 8.016 1.00 21.18 C ATOM 330 CD PRO A 44 -3.723 -18.501 7.732 1.00 21.24 C ATOM 0 HA PRO A 44 -6.147 -18.092 5.903 1.00 22.46 H new ATOM 0 HB2 PRO A 44 -6.154 -18.064 8.754 1.00 22.42 H new ATOM 0 HB3 PRO A 44 -6.863 -19.118 7.850 1.00 22.42 H new ATOM 0 HG2 PRO A 44 -4.736 -19.890 8.886 1.00 21.18 H new ATOM 0 HG3 PRO A 44 -4.866 -20.186 7.361 1.00 21.18 H new ATOM 0 HD2 PRO A 44 -3.469 -17.999 8.523 1.00 21.24 H new ATOM 0 HD3 PRO A 44 -2.924 -18.948 7.411 1.00 21.24 H new ATOM 331 N GLY A 45 -7.543 -16.162 6.103 1.00 22.76 N ATOM 332 CA GLY A 45 -8.272 -14.907 6.179 1.00 22.97 C ATOM 333 C GLY A 45 -7.773 -13.757 5.328 1.00 23.01 C ATOM 334 O GLY A 45 -8.444 -12.729 5.235 1.00 23.99 O ATOM 0 H GLY A 45 -7.868 -16.738 5.554 1.00 22.76 H new ATOM 0 HA2 GLY A 45 -9.195 -15.081 5.936 1.00 22.97 H new ATOM 0 HA3 GLY A 45 -8.273 -14.617 7.104 1.00 22.97 H new ATOM 335 N PHE A 46 -6.611 -13.909 4.702 1.00 22.22 N ATOM 336 CA PHE A 46 -6.070 -12.837 3.871 1.00 22.31 C ATOM 337 C PHE A 46 -6.282 -13.066 2.375 1.00 21.28 C ATOM 338 O PHE A 46 -6.222 -14.196 1.893 1.00 21.85 O ATOM 339 CB PHE A 46 -4.574 -12.661 4.138 1.00 23.11 C ATOM 340 CG PHE A 46 -3.976 -11.477 3.441 1.00 23.26 C ATOM 341 CD1 PHE A 46 -4.256 -10.186 3.875 1.00 23.49 C ATOM 342 CD2 PHE A 46 -3.148 -11.648 2.338 1.00 22.74 C ATOM 343 CE1 PHE A 46 -3.720 -9.079 3.222 1.00 23.30 C ATOM 344 CE2 PHE A 46 -2.608 -10.550 1.677 1.00 23.63 C ATOM 345 CZ PHE A 46 -2.895 -9.260 2.120 1.00 23.65 C ATOM 0 H PHE A 46 -6.124 -14.617 4.744 1.00 22.22 H new ATOM 0 HA PHE A 46 -6.558 -12.036 4.116 1.00 22.31 H new ATOM 0 HB2 PHE A 46 -4.432 -12.570 5.093 1.00 23.11 H new ATOM 0 HB3 PHE A 46 -4.106 -13.463 3.857 1.00 23.11 H new ATOM 0 HD1 PHE A 46 -4.809 -10.060 4.612 1.00 23.49 H new ATOM 0 HD2 PHE A 46 -2.953 -12.507 2.038 1.00 22.74 H new ATOM 0 HE1 PHE A 46 -3.914 -8.221 3.523 1.00 23.30 H new ATOM 0 HE2 PHE A 46 -2.056 -10.676 0.940 1.00 23.63 H new ATOM 0 HZ PHE A 46 -2.536 -8.524 1.680 1.00 23.65 H new ATOM 346 N THR A 47 -6.521 -11.985 1.641 1.00 20.44 N ATOM 347 CA THR A 47 -6.725 -12.091 0.204 1.00 20.70 C ATOM 348 C THR A 47 -5.467 -11.699 -0.570 1.00 19.17 C ATOM 349 O THR A 47 -5.169 -10.516 -0.747 1.00 19.66 O ATOM 350 CB THR A 47 -7.903 -11.208 -0.276 1.00 21.62 C ATOM 351 OG1 THR A 47 -9.116 -11.651 0.345 1.00 23.37 O ATOM 352 CG2 THR A 47 -8.058 -11.304 -1.794 1.00 18.68 C ATOM 0 H THR A 47 -6.569 -11.186 1.955 1.00 20.44 H new ATOM 0 HA THR A 47 -6.935 -13.021 0.027 1.00 20.70 H new ATOM 0 HB THR A 47 -7.720 -10.287 -0.032 1.00 21.62 H new ATOM 0 HG1 THR A 47 -9.301 -12.426 0.078 1.00 23.37 H new ATOM 0 HG21 THR A 47 -8.799 -10.747 -2.080 1.00 18.68 H new ATOM 0 HG22 THR A 47 -7.242 -11.002 -2.223 1.00 18.68 H new ATOM 0 HG23 THR A 47 -8.232 -12.225 -2.044 1.00 18.68 H new ATOM 353 N TYR A 48 -4.739 -12.717 -1.017 1.00 17.64 N ATOM 354 CA TYR A 48 -3.515 -12.554 -1.792 1.00 16.42 C ATOM 355 C TYR A 48 -3.862 -12.398 -3.273 1.00 18.43 C ATOM 356 O TYR A 48 -4.988 -12.673 -3.696 1.00 18.69 O ATOM 357 CB TYR A 48 -2.639 -13.803 -1.662 1.00 12.82 C ATOM 358 CG TYR A 48 -2.074 -14.069 -0.291 1.00 13.76 C ATOM 359 CD1 TYR A 48 -0.862 -13.504 0.101 1.00 13.07 C ATOM 360 CD2 TYR A 48 -2.732 -14.912 0.607 1.00 13.87 C ATOM 361 CE1 TYR A 48 -0.314 -13.775 1.345 1.00 15.80 C ATOM 362 CE2 TYR A 48 -2.191 -15.188 1.861 1.00 13.88 C ATOM 363 CZ TYR A 48 -0.978 -14.618 2.221 1.00 15.73 C ATOM 364 OH TYR A 48 -0.405 -14.904 3.443 1.00 18.53 O ATOM 0 H TYR A 48 -4.948 -13.539 -0.875 1.00 17.64 H new ATOM 0 HA TYR A 48 -3.047 -11.772 -1.459 1.00 16.42 H new ATOM 0 HB2 TYR A 48 -3.162 -14.574 -1.933 1.00 12.82 H new ATOM 0 HB3 TYR A 48 -1.902 -13.727 -2.288 1.00 12.82 H new ATOM 0 HD1 TYR A 48 -0.413 -12.935 -0.482 1.00 13.07 H new ATOM 0 HD2 TYR A 48 -3.544 -15.295 0.364 1.00 13.87 H new ATOM 0 HE1 TYR A 48 0.497 -13.392 1.591 1.00 15.80 H new ATOM 0 HE2 TYR A 48 -2.639 -15.749 2.452 1.00 13.88 H new ATOM 0 HH TYR A 48 0.432 -14.889 3.371 1.00 18.53 H new ATOM 365 N THR A 49 -2.882 -11.959 -4.056 1.00 18.72 N ATOM 366 CA THR A 49 -3.055 -11.839 -5.496 1.00 19.06 C ATOM 367 C THR A 49 -2.762 -13.252 -5.989 1.00 20.19 C ATOM 368 O THR A 49 -2.200 -14.058 -5.242 1.00 19.84 O ATOM 369 CB THR A 49 -2.013 -10.914 -6.110 1.00 19.40 C ATOM 370 OG1 THR A 49 -0.712 -11.488 -5.924 1.00 16.09 O ATOM 371 CG2 THR A 49 -2.074 -9.529 -5.458 1.00 18.80 C ATOM 0 H THR A 49 -2.106 -11.725 -3.770 1.00 18.72 H new ATOM 0 HA THR A 49 -3.929 -11.487 -5.727 1.00 19.06 H new ATOM 0 HB THR A 49 -2.194 -10.811 -7.057 1.00 19.40 H new ATOM 0 HG1 THR A 49 -0.310 -11.079 -5.310 1.00 16.09 H new ATOM 0 HG21 THR A 49 -1.405 -8.952 -5.859 1.00 18.80 H new ATOM 0 HG22 THR A 49 -2.955 -9.146 -5.594 1.00 18.80 H new ATOM 0 HG23 THR A 49 -1.901 -9.611 -4.507 1.00 18.80 H new ATOM 372 N ASP A 50 -3.131 -13.567 -7.226 1.00 19.71 N ATOM 373 CA ASP A 50 -2.860 -14.906 -7.737 1.00 19.45 C ATOM 374 C ASP A 50 -1.354 -15.149 -7.757 1.00 18.29 C ATOM 375 O ASP A 50 -0.899 -16.277 -7.574 1.00 16.56 O ATOM 376 CB ASP A 50 -3.429 -15.087 -9.149 1.00 22.12 C ATOM 377 CG ASP A 50 -4.939 -15.185 -9.161 1.00 24.10 C ATOM 378 OD1 ASP A 50 -5.490 -15.958 -8.350 1.00 26.45 O ATOM 379 OD2 ASP A 50 -5.577 -14.496 -9.984 1.00 26.52 O ATOM 0 H ASP A 50 -3.529 -13.036 -7.773 1.00 19.71 H new ATOM 0 HA ASP A 50 -3.291 -15.548 -7.152 1.00 19.45 H new ATOM 0 HB2 ASP A 50 -3.153 -14.341 -9.703 1.00 22.12 H new ATOM 0 HB3 ASP A 50 -3.053 -15.889 -9.545 1.00 22.12 H new ATOM 380 N ALA A 51 -0.588 -14.082 -7.972 1.00 15.60 N ATOM 381 CA ALA A 51 0.866 -14.185 -8.015 1.00 16.12 C ATOM 382 C ALA A 51 1.421 -14.688 -6.682 1.00 16.19 C ATOM 383 O ALA A 51 2.221 -15.621 -6.648 1.00 12.85 O ATOM 384 CB ALA A 51 1.479 -12.827 -8.358 1.00 17.02 C ATOM 0 H ALA A 51 -0.893 -13.287 -8.096 1.00 15.60 H new ATOM 0 HA ALA A 51 1.103 -14.826 -8.704 1.00 16.12 H new ATOM 0 HB1 ALA A 51 2.445 -12.905 -8.384 1.00 17.02 H new ATOM 0 HB2 ALA A 51 1.155 -12.535 -9.224 1.00 17.02 H new ATOM 0 HB3 ALA A 51 1.226 -12.178 -7.683 1.00 17.02 H new ATOM 385 N ASN A 52 0.989 -14.062 -5.587 1.00 15.75 N ATOM 386 CA ASN A 52 1.445 -14.443 -4.257 1.00 16.27 C ATOM 387 C ASN A 52 0.831 -15.789 -3.881 1.00 16.19 C ATOM 388 O ASN A 52 1.430 -16.587 -3.160 1.00 16.74 O ATOM 389 CB ASN A 52 1.042 -13.359 -3.251 1.00 16.76 C ATOM 390 CG ASN A 52 1.920 -13.344 -2.005 1.00 18.04 C ATOM 391 OD1 ASN A 52 2.323 -12.273 -1.529 1.00 14.23 O ATOM 392 ND2 ASN A 52 2.209 -14.528 -1.461 1.00 16.85 N ATOM 0 H ASN A 52 0.428 -13.410 -5.597 1.00 15.75 H new ATOM 0 HA ASN A 52 2.411 -14.529 -4.247 1.00 16.27 H new ATOM 0 HB2 ASN A 52 1.088 -12.492 -3.683 1.00 16.76 H new ATOM 0 HB3 ASN A 52 0.119 -13.497 -2.988 1.00 16.76 H new ATOM 0 HD21 ASN A 52 2.693 -14.568 -0.751 1.00 16.85 H new ATOM 0 HD22 ASN A 52 1.911 -15.250 -1.820 1.00 16.85 H new ATOM 393 N LYS A 53 -0.364 -16.046 -4.395 1.00 17.40 N ATOM 394 CA LYS A 53 -1.054 -17.295 -4.118 1.00 17.05 C ATOM 395 C LYS A 53 -0.378 -18.490 -4.789 1.00 17.98 C ATOM 396 O LYS A 53 -0.370 -19.591 -4.234 1.00 19.27 O ATOM 397 CB LYS A 53 -2.508 -17.207 -4.591 0.50 17.85 C ATOM 398 CG LYS A 53 -3.328 -18.461 -4.309 0.50 18.93 C ATOM 399 CD LYS A 53 -4.606 -18.503 -5.144 0.50 19.93 C ATOM 400 CE LYS A 53 -5.534 -17.342 -4.830 0.50 21.07 C ATOM 401 NZ LYS A 53 -6.753 -17.365 -5.686 0.50 20.06 N ATOM 0 H LYS A 53 -0.794 -15.507 -4.909 1.00 17.40 H new ATOM 0 HA LYS A 53 -1.021 -17.433 -3.158 1.00 17.05 H new ATOM 0 HB2 LYS A 53 -2.934 -16.450 -4.160 0.50 17.85 H new ATOM 0 HB3 LYS A 53 -2.518 -17.033 -5.545 0.50 17.85 H new ATOM 0 HG2 LYS A 53 -2.792 -19.247 -4.498 0.50 18.93 H new ATOM 0 HG3 LYS A 53 -3.556 -18.493 -3.367 0.50 18.93 H new ATOM 0 HD2 LYS A 53 -4.376 -18.485 -6.086 0.50 19.93 H new ATOM 0 HD3 LYS A 53 -5.070 -19.339 -4.981 0.50 19.93 H new ATOM 0 HE2 LYS A 53 -5.793 -17.378 -3.896 0.50 21.07 H new ATOM 0 HE3 LYS A 53 -5.062 -16.505 -4.961 0.50 21.07 H new ATOM 0 HZ1 LYS A 53 -7.411 -16.926 -5.278 0.50 20.06 H new ATOM 0 HZ2 LYS A 53 -6.576 -16.975 -6.466 0.50 20.06 H new ATOM 0 HZ3 LYS A 53 -7.002 -18.208 -5.826 0.50 20.06 H new ATOM 402 N ASN A 54 0.206 -18.275 -5.967 1.00 15.60 N ATOM 403 CA ASN A 54 0.834 -19.366 -6.707 1.00 15.10 C ATOM 404 C ASN A 54 2.366 -19.385 -6.790 1.00 15.21 C ATOM 405 O ASN A 54 2.935 -20.257 -7.460 1.00 12.01 O ATOM 406 CB ASN A 54 0.269 -19.415 -8.137 1.00 16.76 C ATOM 407 CG ASN A 54 -1.249 -19.332 -8.173 1.00 18.83 C ATOM 408 OD1 ASN A 54 -1.942 -20.001 -7.396 1.00 19.77 O ATOM 409 ND2 ASN A 54 -1.776 -18.515 -9.085 1.00 16.53 N ATOM 0 H ASN A 54 0.249 -17.508 -6.353 1.00 15.60 H new ATOM 0 HA ASN A 54 0.611 -20.147 -6.177 1.00 15.10 H new ATOM 0 HB2 ASN A 54 0.641 -18.683 -8.653 1.00 16.76 H new ATOM 0 HB3 ASN A 54 0.554 -20.237 -8.565 1.00 16.76 H new ATOM 0 HD21 ASN A 54 -2.630 -18.437 -9.150 1.00 16.53 H new ATOM 0 HD22 ASN A 54 -1.262 -18.066 -9.608 1.00 16.53 H new ATOM 410 N LYS A 55 3.042 -18.450 -6.127 1.00 12.36 N ATOM 411 CA LYS A 55 4.502 -18.433 -6.183 1.00 12.80 C ATOM 412 C LYS A 55 5.065 -19.857 -6.016 1.00 14.14 C ATOM 413 O LYS A 55 5.975 -20.274 -6.746 1.00 11.83 O ATOM 414 CB LYS A 55 5.072 -17.516 -5.093 1.00 11.47 C ATOM 415 CG LYS A 55 6.592 -17.477 -5.068 1.00 10.14 C ATOM 416 CD LYS A 55 7.156 -17.060 -6.426 1.00 11.21 C ATOM 417 CE LYS A 55 8.677 -17.204 -6.466 1.00 10.71 C ATOM 418 NZ LYS A 55 9.233 -16.901 -7.824 1.00 8.87 N ATOM 0 H LYS A 55 2.685 -17.830 -5.650 1.00 12.36 H new ATOM 0 HA LYS A 55 4.767 -18.090 -7.051 1.00 12.80 H new ATOM 0 HB2 LYS A 55 4.735 -16.617 -5.228 1.00 11.47 H new ATOM 0 HB3 LYS A 55 4.749 -17.814 -4.228 1.00 11.47 H new ATOM 0 HG2 LYS A 55 6.891 -16.855 -4.386 1.00 10.14 H new ATOM 0 HG3 LYS A 55 6.937 -18.351 -4.826 1.00 10.14 H new ATOM 0 HD2 LYS A 55 6.759 -17.605 -7.124 1.00 11.21 H new ATOM 0 HD3 LYS A 55 6.912 -16.140 -6.611 1.00 11.21 H new ATOM 0 HE2 LYS A 55 9.075 -16.607 -5.814 1.00 10.71 H new ATOM 0 HE3 LYS A 55 8.923 -18.107 -6.211 1.00 10.71 H new ATOM 0 HZ1 LYS A 55 10.070 -17.198 -7.875 1.00 8.87 H new ATOM 0 HZ2 LYS A 55 8.737 -17.303 -8.444 1.00 8.87 H new ATOM 0 HZ3 LYS A 55 9.222 -16.022 -7.960 1.00 8.87 H new ATOM 419 N GLY A 56 4.517 -20.589 -5.049 1.00 13.86 N ATOM 420 CA GLY A 56 4.944 -21.956 -4.806 1.00 11.23 C ATOM 421 C GLY A 56 6.317 -22.133 -4.181 1.00 12.74 C ATOM 422 O GLY A 56 7.053 -23.047 -4.557 1.00 13.21 O ATOM 0 H GLY A 56 3.896 -20.309 -4.524 1.00 13.86 H new ATOM 0 HA2 GLY A 56 4.290 -22.381 -4.229 1.00 11.23 H new ATOM 0 HA3 GLY A 56 4.930 -22.434 -5.650 1.00 11.23 H new ATOM 423 N ILE A 57 6.685 -21.264 -3.245 1.00 10.01 N ATOM 424 CA ILE A 57 7.974 -21.403 -2.579 1.00 10.13 C ATOM 425 C ILE A 57 7.764 -21.378 -1.069 1.00 11.50 C ATOM 426 O ILE A 57 6.674 -21.056 -0.581 1.00 12.00 O ATOM 427 CB ILE A 57 8.996 -20.287 -3.004 1.00 8.73 C ATOM 428 CG1 ILE A 57 8.473 -18.894 -2.644 1.00 7.71 C ATOM 429 CG2 ILE A 57 9.287 -20.387 -4.492 1.00 9.44 C ATOM 430 CD1 ILE A 57 8.678 -18.515 -1.177 1.00 6.75 C ATOM 0 H ILE A 57 6.210 -20.596 -2.984 1.00 10.01 H new ATOM 0 HA ILE A 57 8.358 -22.251 -2.851 1.00 10.13 H new ATOM 0 HB ILE A 57 9.822 -20.425 -2.515 1.00 8.73 H new ATOM 0 HG12 ILE A 57 8.916 -18.237 -3.203 1.00 7.71 H new ATOM 0 HG13 ILE A 57 7.526 -18.850 -2.851 1.00 7.71 H new ATOM 0 HG21 ILE A 57 9.918 -19.695 -4.746 1.00 9.44 H new ATOM 0 HG22 ILE A 57 9.666 -21.258 -4.690 1.00 9.44 H new ATOM 0 HG23 ILE A 57 8.463 -20.272 -4.991 1.00 9.44 H new ATOM 0 HD11 ILE A 57 8.325 -17.625 -1.020 1.00 6.75 H new ATOM 0 HD12 ILE A 57 8.214 -19.151 -0.610 1.00 6.75 H new ATOM 0 HD13 ILE A 57 9.625 -18.528 -0.968 1.00 6.75 H new ATOM 431 N THR A 58 8.801 -21.734 -0.324 1.00 10.40 N ATOM 432 CA THR A 58 8.688 -21.742 1.124 1.00 9.99 C ATOM 433 C THR A 58 9.496 -20.608 1.722 1.00 10.07 C ATOM 434 O THR A 58 10.683 -20.453 1.423 1.00 8.76 O ATOM 435 CB THR A 58 9.174 -23.073 1.718 1.00 7.72 C ATOM 436 OG1 THR A 58 8.388 -24.141 1.181 1.00 10.24 O ATOM 437 CG2 THR A 58 9.022 -23.068 3.245 1.00 10.47 C ATOM 0 H THR A 58 9.568 -21.971 -0.632 1.00 10.40 H new ATOM 0 HA THR A 58 7.750 -21.628 1.342 1.00 9.99 H new ATOM 0 HB THR A 58 10.110 -23.192 1.492 1.00 7.72 H new ATOM 0 HG1 THR A 58 8.651 -24.871 1.502 1.00 10.24 H new ATOM 0 HG21 THR A 58 9.333 -23.914 3.604 1.00 10.47 H new ATOM 0 HG22 THR A 58 9.548 -22.345 3.620 1.00 10.47 H new ATOM 0 HG23 THR A 58 8.089 -22.942 3.477 1.00 10.47 H new ATOM 438 N TRP A 59 8.839 -19.813 2.558 1.00 8.15 N ATOM 439 CA TRP A 59 9.493 -18.696 3.215 1.00 10.09 C ATOM 440 C TRP A 59 10.493 -19.153 4.268 1.00 9.80 C ATOM 441 O TRP A 59 10.161 -19.939 5.157 1.00 10.36 O ATOM 442 CB TRP A 59 8.447 -17.781 3.853 1.00 10.53 C ATOM 443 CG TRP A 59 7.676 -16.990 2.837 1.00 11.09 C ATOM 444 CD1 TRP A 59 6.320 -16.895 2.728 1.00 10.40 C ATOM 445 CD2 TRP A 59 8.222 -16.163 1.801 1.00 10.97 C ATOM 446 NE1 TRP A 59 5.985 -16.056 1.690 1.00 13.68 N ATOM 447 CE2 TRP A 59 7.133 -15.592 1.104 1.00 12.39 C ATOM 448 CE3 TRP A 59 9.525 -15.847 1.395 1.00 7.67 C ATOM 449 CZ2 TRP A 59 7.306 -14.721 0.021 1.00 11.57 C ATOM 450 CZ3 TRP A 59 9.698 -14.980 0.316 1.00 10.02 C ATOM 451 CH2 TRP A 59 8.593 -14.428 -0.356 1.00 9.38 C ATOM 0 H TRP A 59 8.008 -19.907 2.758 1.00 8.15 H new ATOM 0 HA TRP A 59 9.987 -18.209 2.537 1.00 10.09 H new ATOM 0 HB2 TRP A 59 7.831 -18.316 4.377 1.00 10.53 H new ATOM 0 HB3 TRP A 59 8.886 -17.172 4.467 1.00 10.53 H new ATOM 0 HD1 TRP A 59 5.710 -17.334 3.276 1.00 10.40 H new ATOM 0 HE1 TRP A 59 5.184 -15.855 1.448 1.00 13.68 H new ATOM 0 HE3 TRP A 59 10.260 -16.208 1.836 1.00 7.67 H new ATOM 0 HZ2 TRP A 59 6.577 -14.355 -0.426 1.00 11.57 H new ATOM 0 HZ3 TRP A 59 10.558 -14.764 0.037 1.00 10.02 H new ATOM 0 HH2 TRP A 59 8.737 -13.852 -1.072 1.00 9.38 H new ATOM 452 N LYS A 60 11.719 -18.652 4.137 1.00 11.33 N ATOM 453 CA LYS A 60 12.831 -18.939 5.046 1.00 11.77 C ATOM 454 C LYS A 60 13.969 -17.977 4.694 1.00 11.57 C ATOM 455 O LYS A 60 13.873 -17.240 3.716 1.00 10.52 O ATOM 456 CB LYS A 60 13.290 -20.391 4.895 1.00 14.32 C ATOM 457 CG LYS A 60 13.691 -20.773 3.492 1.00 15.40 C ATOM 458 CD LYS A 60 13.516 -22.265 3.266 1.00 20.11 C ATOM 459 CE LYS A 60 14.280 -23.099 4.286 1.00 24.23 C ATOM 460 NZ LYS A 60 13.942 -24.557 4.168 1.00 27.74 N ATOM 0 H LYS A 60 11.935 -18.119 3.497 1.00 11.33 H new ATOM 0 HA LYS A 60 12.555 -18.818 5.968 1.00 11.77 H new ATOM 0 HB2 LYS A 60 14.042 -20.545 5.488 1.00 14.32 H new ATOM 0 HB3 LYS A 60 12.574 -20.977 5.186 1.00 14.32 H new ATOM 0 HG2 LYS A 60 13.154 -20.280 2.852 1.00 15.40 H new ATOM 0 HG3 LYS A 60 14.616 -20.525 3.337 1.00 15.40 H new ATOM 0 HD2 LYS A 60 12.573 -22.488 3.310 1.00 20.11 H new ATOM 0 HD3 LYS A 60 13.820 -22.492 2.373 1.00 20.11 H new ATOM 0 HE2 LYS A 60 15.234 -22.975 4.158 1.00 24.23 H new ATOM 0 HE3 LYS A 60 14.071 -22.789 5.181 1.00 24.23 H new ATOM 0 HZ1 LYS A 60 14.634 -25.045 4.442 1.00 27.74 H new ATOM 0 HZ2 LYS A 60 13.232 -24.739 4.673 1.00 27.74 H new ATOM 0 HZ3 LYS A 60 13.760 -24.752 3.319 1.00 27.74 H new ATOM 461 N GLU A 61 15.035 -17.976 5.489 1.00 12.43 N ATOM 462 CA GLU A 61 16.162 -17.073 5.257 1.00 11.88 C ATOM 463 C GLU A 61 16.523 -16.849 3.783 1.00 12.95 C ATOM 464 O GLU A 61 16.544 -15.709 3.311 1.00 11.62 O ATOM 465 CB GLU A 61 17.411 -17.560 6.006 1.00 11.60 C ATOM 466 CG GLU A 61 17.315 -17.513 7.522 1.00 10.97 C ATOM 467 CD GLU A 61 16.569 -18.702 8.116 1.00 12.74 C ATOM 468 OE1 GLU A 61 15.910 -19.446 7.357 1.00 9.96 O ATOM 469 OE2 GLU A 61 16.635 -18.885 9.353 1.00 13.59 O ATOM 0 H GLU A 61 15.127 -18.492 6.171 1.00 12.43 H new ATOM 0 HA GLU A 61 15.860 -16.217 5.599 1.00 11.88 H new ATOM 0 HB2 GLU A 61 17.597 -18.473 5.736 1.00 11.60 H new ATOM 0 HB3 GLU A 61 18.168 -17.022 5.727 1.00 11.60 H new ATOM 0 HG2 GLU A 61 18.210 -17.481 7.896 1.00 10.97 H new ATOM 0 HG3 GLU A 61 16.868 -16.694 7.786 1.00 10.97 H new ATOM 470 N GLU A 62 16.800 -17.930 3.058 1.00 12.36 N ATOM 471 CA GLU A 62 17.189 -17.818 1.657 1.00 14.33 C ATOM 472 C GLU A 62 16.160 -17.147 0.751 1.00 12.40 C ATOM 473 O GLU A 62 16.482 -16.187 0.050 1.00 13.43 O ATOM 474 CB GLU A 62 17.545 -19.195 1.093 1.00 19.01 C ATOM 475 CG GLU A 62 16.447 -20.241 1.244 1.00 26.54 C ATOM 476 CD GLU A 62 16.803 -21.553 0.570 1.00 30.22 C ATOM 477 OE1 GLU A 62 16.940 -21.562 -0.673 1.00 31.68 O ATOM 478 OE2 GLU A 62 16.950 -22.572 1.283 1.00 33.37 O ATOM 0 H GLU A 62 16.768 -18.735 3.359 1.00 12.36 H new ATOM 0 HA GLU A 62 17.962 -17.232 1.659 1.00 14.33 H new ATOM 0 HB2 GLU A 62 17.760 -19.101 0.152 1.00 19.01 H new ATOM 0 HB3 GLU A 62 18.346 -19.517 1.536 1.00 19.01 H new ATOM 0 HG2 GLU A 62 16.281 -20.399 2.187 1.00 26.54 H new ATOM 0 HG3 GLU A 62 15.623 -19.898 0.865 1.00 26.54 H new ATOM 479 N THR A 63 14.932 -17.653 0.752 1.00 10.73 N ATOM 480 CA THR A 63 13.889 -17.072 -0.085 1.00 9.45 C ATOM 481 C THR A 63 13.610 -15.619 0.292 1.00 9.39 C ATOM 482 O THR A 63 13.435 -14.769 -0.584 1.00 8.38 O ATOM 483 CB THR A 63 12.581 -17.893 -0.006 1.00 9.51 C ATOM 484 OG1 THR A 63 12.288 -18.202 1.359 1.00 7.15 O ATOM 485 CG2 THR A 63 12.721 -19.199 -0.801 1.00 11.04 C ATOM 0 H THR A 63 14.683 -18.326 1.225 1.00 10.73 H new ATOM 0 HA THR A 63 14.217 -17.095 -0.998 1.00 9.45 H new ATOM 0 HB THR A 63 11.861 -17.366 -0.386 1.00 9.51 H new ATOM 0 HG1 THR A 63 11.811 -18.892 1.394 1.00 7.15 H new ATOM 0 HG21 THR A 63 11.895 -19.704 -0.743 1.00 11.04 H new ATOM 0 HG22 THR A 63 12.910 -18.994 -1.730 1.00 11.04 H new ATOM 0 HG23 THR A 63 13.447 -19.726 -0.433 1.00 11.04 H new ATOM 486 N LEU A 64 13.589 -15.333 1.594 1.00 8.95 N ATOM 487 CA LEU A 64 13.343 -13.981 2.074 1.00 7.21 C ATOM 488 C LEU A 64 14.440 -13.017 1.629 1.00 7.81 C ATOM 489 O LEU A 64 14.164 -11.865 1.302 1.00 7.91 O ATOM 490 CB LEU A 64 13.218 -13.977 3.597 1.00 6.76 C ATOM 491 CG LEU A 64 11.877 -14.521 4.095 1.00 6.00 C ATOM 492 CD1 LEU A 64 11.898 -14.753 5.609 1.00 5.55 C ATOM 493 CD2 LEU A 64 10.796 -13.536 3.710 1.00 5.65 C ATOM 0 H LEU A 64 13.716 -15.914 2.216 1.00 8.95 H new ATOM 0 HA LEU A 64 12.508 -13.676 1.685 1.00 7.21 H new ATOM 0 HB2 LEU A 64 13.936 -14.508 3.976 1.00 6.76 H new ATOM 0 HB3 LEU A 64 13.333 -13.071 3.922 1.00 6.76 H new ATOM 0 HG LEU A 64 11.701 -15.382 3.684 1.00 6.00 H new ATOM 0 HD11 LEU A 64 11.038 -15.097 5.896 1.00 5.55 H new ATOM 0 HD12 LEU A 64 12.592 -15.394 5.829 1.00 5.55 H new ATOM 0 HD13 LEU A 64 12.078 -13.915 6.063 1.00 5.55 H new ATOM 0 HD21 LEU A 64 9.936 -13.863 4.017 1.00 5.65 H new ATOM 0 HD22 LEU A 64 10.980 -12.676 4.120 1.00 5.65 H new ATOM 0 HD23 LEU A 64 10.778 -13.436 2.745 1.00 5.65 H new ATOM 494 N MET A 65 15.679 -13.491 1.609 1.00 7.72 N ATOM 495 CA MET A 65 16.790 -12.657 1.190 1.00 12.95 C ATOM 496 C MET A 65 16.612 -12.187 -0.261 1.00 13.87 C ATOM 497 O MET A 65 16.845 -11.022 -0.582 1.00 16.05 O ATOM 498 CB MET A 65 18.109 -13.425 1.333 1.00 14.68 C ATOM 499 CG MET A 65 18.687 -13.442 2.742 1.00 17.07 C ATOM 500 SD MET A 65 19.175 -11.790 3.300 1.00 25.92 S ATOM 501 CE MET A 65 20.730 -11.575 2.392 1.00 23.32 C ATOM 0 H MET A 65 15.895 -14.292 1.834 1.00 7.72 H new ATOM 0 HA MET A 65 16.812 -11.874 1.762 1.00 12.95 H new ATOM 0 HB2 MET A 65 17.969 -14.340 1.043 1.00 14.68 H new ATOM 0 HB3 MET A 65 18.763 -13.034 0.733 1.00 14.68 H new ATOM 0 HG2 MET A 65 18.030 -13.808 3.355 1.00 17.07 H new ATOM 0 HG3 MET A 65 19.457 -14.031 2.767 1.00 17.07 H new ATOM 0 HE1 MET A 65 21.396 -11.184 2.979 1.00 23.32 H new ATOM 0 HE2 MET A 65 21.043 -12.437 2.077 1.00 23.32 H new ATOM 0 HE3 MET A 65 20.584 -10.988 1.634 1.00 23.32 H new ATOM 502 N GLU A 66 16.201 -13.095 -1.136 1.00 14.49 N ATOM 503 CA GLU A 66 16.006 -12.750 -2.533 1.00 13.31 C ATOM 504 C GLU A 66 14.762 -11.875 -2.665 1.00 13.61 C ATOM 505 O GLU A 66 14.801 -10.808 -3.278 1.00 13.97 O ATOM 506 CB GLU A 66 15.842 -14.018 -3.383 1.00 14.08 C ATOM 507 CG GLU A 66 16.128 -13.790 -4.861 1.00 18.63 C ATOM 508 CD GLU A 66 15.555 -14.864 -5.766 1.00 20.29 C ATOM 509 OE1 GLU A 66 15.922 -16.047 -5.617 1.00 22.90 O ATOM 510 OE2 GLU A 66 14.733 -14.513 -6.634 1.00 22.80 O ATOM 0 H GLU A 66 16.030 -13.915 -0.940 1.00 14.49 H new ATOM 0 HA GLU A 66 16.784 -12.266 -2.851 1.00 13.31 H new ATOM 0 HB2 GLU A 66 16.438 -14.705 -3.046 1.00 14.08 H new ATOM 0 HB3 GLU A 66 14.937 -14.353 -3.282 1.00 14.08 H new ATOM 0 HG2 GLU A 66 15.765 -12.930 -5.123 1.00 18.63 H new ATOM 0 HG3 GLU A 66 17.088 -13.745 -4.993 1.00 18.63 H new ATOM 511 N TYR A 67 13.659 -12.330 -2.081 1.00 12.66 N ATOM 512 CA TYR A 67 12.406 -11.587 -2.135 1.00 11.66 C ATOM 513 C TYR A 67 12.545 -10.154 -1.650 1.00 10.97 C ATOM 514 O TYR A 67 12.193 -9.217 -2.368 1.00 8.43 O ATOM 515 CB TYR A 67 11.333 -12.282 -1.294 1.00 12.44 C ATOM 516 CG TYR A 67 10.048 -11.481 -1.122 1.00 14.61 C ATOM 517 CD1 TYR A 67 9.169 -11.278 -2.192 1.00 13.22 C ATOM 518 CD2 TYR A 67 9.696 -10.959 0.123 1.00 13.81 C ATOM 519 CE1 TYR A 67 7.971 -10.583 -2.019 1.00 12.18 C ATOM 520 CE2 TYR A 67 8.507 -10.266 0.307 1.00 14.25 C ATOM 521 CZ TYR A 67 7.644 -10.080 -0.763 1.00 14.96 C ATOM 522 OH TYR A 67 6.457 -9.400 -0.556 1.00 12.00 O ATOM 0 H TYR A 67 13.615 -13.071 -1.646 1.00 12.66 H new ATOM 0 HA TYR A 67 12.148 -11.566 -3.070 1.00 11.66 H new ATOM 0 HB2 TYR A 67 11.117 -13.134 -1.705 1.00 12.44 H new ATOM 0 HB3 TYR A 67 11.700 -12.475 -0.417 1.00 12.44 H new ATOM 0 HD1 TYR A 67 9.387 -11.612 -3.032 1.00 13.22 H new ATOM 0 HD2 TYR A 67 10.270 -11.078 0.845 1.00 13.81 H new ATOM 0 HE1 TYR A 67 7.395 -10.457 -2.738 1.00 12.18 H new ATOM 0 HE2 TYR A 67 8.290 -9.927 1.145 1.00 14.25 H new ATOM 0 HH TYR A 67 6.081 -9.695 0.135 1.00 12.00 H new ATOM 523 N LEU A 68 13.058 -9.989 -0.434 1.00 11.12 N ATOM 524 CA LEU A 68 13.194 -8.660 0.151 1.00 12.75 C ATOM 525 C LEU A 68 14.034 -7.664 -0.628 1.00 12.79 C ATOM 526 O LEU A 68 13.814 -6.453 -0.534 1.00 10.90 O ATOM 527 CB LEU A 68 13.706 -8.762 1.587 1.00 12.74 C ATOM 528 CG LEU A 68 12.663 -9.340 2.545 1.00 14.88 C ATOM 529 CD1 LEU A 68 13.261 -9.480 3.937 1.00 14.29 C ATOM 530 CD2 LEU A 68 11.433 -8.439 2.565 1.00 14.46 C ATOM 0 H LEU A 68 13.332 -10.632 0.067 1.00 11.12 H new ATOM 0 HA LEU A 68 12.295 -8.296 0.122 1.00 12.75 H new ATOM 0 HB2 LEU A 68 14.500 -9.319 1.605 1.00 12.74 H new ATOM 0 HB3 LEU A 68 13.970 -7.881 1.896 1.00 12.74 H new ATOM 0 HG LEU A 68 12.393 -10.221 2.242 1.00 14.88 H new ATOM 0 HD11 LEU A 68 12.595 -9.847 4.540 1.00 14.29 H new ATOM 0 HD12 LEU A 68 14.027 -10.074 3.902 1.00 14.29 H new ATOM 0 HD13 LEU A 68 13.542 -8.609 4.258 1.00 14.29 H new ATOM 0 HD21 LEU A 68 10.772 -8.806 3.173 1.00 14.46 H new ATOM 0 HD22 LEU A 68 11.687 -7.551 2.862 1.00 14.46 H new ATOM 0 HD23 LEU A 68 11.056 -8.385 1.673 1.00 14.46 H new ATOM 531 N GLU A 69 14.990 -8.154 -1.407 1.00 15.36 N ATOM 532 CA GLU A 69 15.810 -7.237 -2.179 1.00 15.63 C ATOM 533 C GLU A 69 14.970 -6.555 -3.248 1.00 15.06 C ATOM 534 O GLU A 69 15.223 -5.401 -3.588 1.00 15.72 O ATOM 535 CB GLU A 69 16.977 -7.955 -2.845 1.00 16.36 C ATOM 536 CG GLU A 69 18.004 -6.973 -3.371 1.00 20.69 C ATOM 537 CD GLU A 69 18.935 -7.583 -4.390 1.00 24.80 C ATOM 538 OE1 GLU A 69 19.551 -8.631 -4.086 1.00 23.00 O ATOM 539 OE2 GLU A 69 19.047 -7.003 -5.495 1.00 26.66 O ATOM 0 H GLU A 69 15.176 -8.988 -1.501 1.00 15.36 H new ATOM 0 HA GLU A 69 16.165 -6.576 -1.564 1.00 15.63 H new ATOM 0 HB2 GLU A 69 17.397 -8.554 -2.208 1.00 16.36 H new ATOM 0 HB3 GLU A 69 16.648 -8.503 -3.575 1.00 16.36 H new ATOM 0 HG2 GLU A 69 17.546 -6.217 -3.770 1.00 20.69 H new ATOM 0 HG3 GLU A 69 18.525 -6.629 -2.629 1.00 20.69 H new ATOM 540 N ASN A 70 13.977 -7.278 -3.771 1.00 14.42 N ATOM 541 CA ASN A 70 13.077 -6.763 -4.808 1.00 12.76 C ATOM 542 C ASN A 70 11.834 -7.659 -4.934 1.00 12.87 C ATOM 543 O ASN A 70 11.839 -8.634 -5.687 1.00 14.33 O ATOM 544 CB ASN A 70 13.787 -6.725 -6.161 1.00 9.96 C ATOM 545 CG ASN A 70 13.000 -5.952 -7.208 1.00 10.81 C ATOM 546 OD1 ASN A 70 11.762 -5.946 -7.203 1.00 8.99 O ATOM 547 ND2 ASN A 70 13.716 -5.300 -8.118 1.00 5.61 N ATOM 0 H ASN A 70 13.805 -8.086 -3.533 1.00 14.42 H new ATOM 0 HA ASN A 70 12.811 -5.866 -4.551 1.00 12.76 H new ATOM 0 HB2 ASN A 70 14.662 -6.320 -6.053 1.00 9.96 H new ATOM 0 HB3 ASN A 70 13.931 -7.632 -6.473 1.00 9.96 H new ATOM 0 HD21 ASN A 70 13.320 -4.851 -8.735 1.00 5.61 H new ATOM 0 HD22 ASN A 70 14.575 -5.327 -8.089 1.00 5.61 H new ATOM 548 N PRO A 71 10.748 -7.325 -4.213 1.00 12.83 N ATOM 549 CA PRO A 71 9.493 -8.088 -4.229 1.00 12.10 C ATOM 550 C PRO A 71 8.917 -8.408 -5.607 1.00 11.90 C ATOM 551 O PRO A 71 8.641 -9.564 -5.903 1.00 14.22 O ATOM 552 CB PRO A 71 8.552 -7.216 -3.400 1.00 10.48 C ATOM 553 CG PRO A 71 9.480 -6.586 -2.419 1.00 12.34 C ATOM 554 CD PRO A 71 10.637 -6.177 -3.295 1.00 11.17 C ATOM 0 HA PRO A 71 9.634 -8.980 -3.876 1.00 12.10 H new ATOM 0 HB2 PRO A 71 8.098 -6.554 -3.945 1.00 10.48 H new ATOM 0 HB3 PRO A 71 7.865 -7.741 -2.961 1.00 10.48 H new ATOM 0 HG2 PRO A 71 9.075 -5.825 -1.974 1.00 12.34 H new ATOM 0 HG3 PRO A 71 9.752 -7.208 -1.726 1.00 12.34 H new ATOM 0 HD2 PRO A 71 10.459 -5.349 -3.769 1.00 11.17 H new ATOM 0 HD3 PRO A 71 11.450 -6.042 -2.783 1.00 11.17 H new ATOM 555 N LYS A 72 8.726 -7.384 -6.436 1.00 12.90 N ATOM 556 CA LYS A 72 8.165 -7.551 -7.782 1.00 12.28 C ATOM 557 C LYS A 72 8.989 -8.533 -8.618 1.00 12.46 C ATOM 558 O LYS A 72 8.443 -9.362 -9.354 1.00 11.10 O ATOM 559 CB LYS A 72 8.100 -6.185 -8.484 0.50 12.20 C ATOM 560 CG LYS A 72 7.889 -6.237 -9.992 0.50 14.15 C ATOM 561 CD LYS A 72 6.526 -6.804 -10.372 0.50 14.99 C ATOM 562 CE LYS A 72 6.414 -6.990 -11.884 0.50 13.71 C ATOM 563 NZ LYS A 72 5.081 -7.510 -12.299 0.50 12.26 N ATOM 0 H LYS A 72 8.918 -6.570 -6.236 1.00 12.90 H new ATOM 0 HA LYS A 72 7.271 -7.918 -7.695 1.00 12.28 H new ATOM 0 HB2 LYS A 72 7.380 -5.669 -8.089 0.50 12.20 H new ATOM 0 HB3 LYS A 72 8.924 -5.706 -8.304 0.50 12.20 H new ATOM 0 HG2 LYS A 72 7.978 -5.343 -10.359 0.50 14.15 H new ATOM 0 HG3 LYS A 72 8.585 -6.779 -10.394 0.50 14.15 H new ATOM 0 HD2 LYS A 72 6.390 -7.655 -9.927 0.50 14.99 H new ATOM 0 HD3 LYS A 72 5.826 -6.208 -10.063 0.50 14.99 H new ATOM 0 HE2 LYS A 72 6.578 -6.141 -12.324 0.50 13.71 H new ATOM 0 HE3 LYS A 72 7.104 -7.603 -12.183 0.50 13.71 H new ATOM 0 HZ1 LYS A 72 4.955 -7.347 -13.165 0.50 12.26 H new ATOM 0 HZ2 LYS A 72 5.046 -8.387 -12.154 0.50 12.26 H new ATOM 0 HZ3 LYS A 72 4.444 -7.106 -11.826 0.50 12.26 H new ATOM 564 N LYS A 73 10.308 -8.433 -8.493 1.00 12.01 N ATOM 565 CA LYS A 73 11.211 -9.306 -9.227 1.00 11.54 C ATOM 566 C LYS A 73 11.014 -10.772 -8.834 1.00 11.01 C ATOM 567 O LYS A 73 10.912 -11.637 -9.697 1.00 11.19 O ATOM 568 CB LYS A 73 12.660 -8.896 -8.964 0.50 9.39 C ATOM 569 CG LYS A 73 13.679 -9.601 -9.837 0.50 9.34 C ATOM 570 CD LYS A 73 15.081 -9.110 -9.520 0.50 11.42 C ATOM 571 CE LYS A 73 16.110 -9.725 -10.445 0.50 12.48 C ATOM 572 NZ LYS A 73 15.875 -9.348 -11.871 0.50 14.65 N ATOM 0 H LYS A 73 10.701 -7.862 -7.984 1.00 12.01 H new ATOM 0 HA LYS A 73 11.010 -9.215 -10.172 1.00 11.54 H new ATOM 0 HB2 LYS A 73 12.743 -7.939 -9.098 0.50 9.39 H new ATOM 0 HB3 LYS A 73 12.871 -9.072 -8.034 0.50 9.39 H new ATOM 0 HG2 LYS A 73 13.626 -10.559 -9.696 0.50 9.34 H new ATOM 0 HG3 LYS A 73 13.478 -9.441 -10.772 0.50 9.34 H new ATOM 0 HD2 LYS A 73 15.111 -8.144 -9.598 0.50 11.42 H new ATOM 0 HD3 LYS A 73 15.301 -9.327 -8.601 0.50 11.42 H new ATOM 0 HE2 LYS A 73 16.997 -9.438 -10.177 0.50 12.48 H new ATOM 0 HE3 LYS A 73 16.086 -10.691 -10.358 0.50 12.48 H new ATOM 0 HZ1 LYS A 73 16.633 -9.048 -12.228 0.50 14.65 H new ATOM 0 HZ2 LYS A 73 15.596 -10.061 -12.325 0.50 14.65 H new ATOM 0 HZ3 LYS A 73 15.256 -8.710 -11.911 0.50 14.65 H new ATOM 573 N TYR A 74 10.955 -11.045 -7.533 1.00 11.88 N ATOM 574 CA TYR A 74 10.796 -12.413 -7.046 1.00 10.73 C ATOM 575 C TYR A 74 9.382 -12.953 -7.252 1.00 11.96 C ATOM 576 O TYR A 74 9.206 -14.141 -7.514 1.00 11.90 O ATOM 577 CB TYR A 74 11.180 -12.494 -5.567 1.00 11.65 C ATOM 578 CG TYR A 74 11.245 -13.904 -5.009 1.00 11.43 C ATOM 579 CD1 TYR A 74 12.128 -14.848 -5.533 1.00 13.79 C ATOM 580 CD2 TYR A 74 10.437 -14.286 -3.947 1.00 12.48 C ATOM 581 CE1 TYR A 74 12.205 -16.143 -5.001 1.00 12.69 C ATOM 582 CE2 TYR A 74 10.504 -15.568 -3.412 1.00 12.95 C ATOM 583 CZ TYR A 74 11.387 -16.491 -3.940 1.00 11.57 C ATOM 584 OH TYR A 74 11.450 -17.752 -3.388 1.00 10.12 O ATOM 0 H TYR A 74 11.005 -10.450 -6.914 1.00 11.88 H new ATOM 0 HA TYR A 74 11.392 -12.971 -7.570 1.00 10.73 H new ATOM 0 HB2 TYR A 74 12.044 -12.070 -5.445 1.00 11.65 H new ATOM 0 HB3 TYR A 74 10.538 -11.983 -5.050 1.00 11.65 H new ATOM 0 HD1 TYR A 74 12.675 -14.614 -6.248 1.00 13.79 H new ATOM 0 HD2 TYR A 74 9.839 -13.672 -3.586 1.00 12.48 H new ATOM 0 HE1 TYR A 74 12.800 -16.762 -5.358 1.00 12.69 H new ATOM 0 HE2 TYR A 74 9.955 -15.804 -2.699 1.00 12.95 H new ATOM 0 HH TYR A 74 11.061 -17.752 -2.644 1.00 10.12 H new ATOM 585 N ILE A 75 8.379 -12.086 -7.130 1.00 11.81 N ATOM 586 CA ILE A 75 6.992 -12.493 -7.334 1.00 11.93 C ATOM 587 C ILE A 75 6.280 -11.511 -8.267 1.00 13.66 C ATOM 588 O ILE A 75 5.464 -10.692 -7.834 1.00 11.49 O ATOM 589 CB ILE A 75 6.221 -12.580 -5.998 1.00 14.08 C ATOM 590 CG1 ILE A 75 6.898 -13.598 -5.073 1.00 13.71 C ATOM 591 CG2 ILE A 75 4.779 -13.008 -6.250 1.00 12.01 C ATOM 592 CD1 ILE A 75 6.131 -13.865 -3.797 1.00 13.39 C ATOM 0 H ILE A 75 8.481 -11.256 -6.929 1.00 11.81 H new ATOM 0 HA ILE A 75 7.006 -13.375 -7.737 1.00 11.93 H new ATOM 0 HB ILE A 75 6.226 -11.706 -5.578 1.00 14.08 H new ATOM 0 HG12 ILE A 75 7.012 -14.433 -5.553 1.00 13.71 H new ATOM 0 HG13 ILE A 75 7.785 -13.277 -4.847 1.00 13.71 H new ATOM 0 HG21 ILE A 75 4.304 -13.059 -5.406 1.00 12.01 H new ATOM 0 HG22 ILE A 75 4.345 -12.359 -6.826 1.00 12.01 H new ATOM 0 HG23 ILE A 75 4.770 -13.878 -6.679 1.00 12.01 H new ATOM 0 HD11 ILE A 75 6.612 -14.514 -3.260 1.00 13.39 H new ATOM 0 HD12 ILE A 75 6.037 -13.039 -3.297 1.00 13.39 H new ATOM 0 HD13 ILE A 75 5.252 -14.213 -4.014 1.00 13.39 H new ATOM 593 N PRO A 76 6.589 -11.584 -9.574 1.00 13.74 N ATOM 594 CA PRO A 76 5.976 -10.699 -10.566 1.00 14.20 C ATOM 595 C PRO A 76 4.466 -10.727 -10.386 1.00 13.45 C ATOM 596 O PRO A 76 3.851 -11.783 -10.437 1.00 13.97 O ATOM 597 CB PRO A 76 6.422 -11.309 -11.890 1.00 15.35 C ATOM 598 CG PRO A 76 7.770 -11.892 -11.551 1.00 17.01 C ATOM 599 CD PRO A 76 7.495 -12.552 -10.219 1.00 13.84 C ATOM 0 HA PRO A 76 6.233 -9.766 -10.500 1.00 14.20 H new ATOM 0 HB2 PRO A 76 5.803 -11.989 -12.200 1.00 15.35 H new ATOM 0 HB3 PRO A 76 6.484 -10.642 -12.591 1.00 15.35 H new ATOM 0 HG2 PRO A 76 8.069 -12.530 -12.218 1.00 17.01 H new ATOM 0 HG3 PRO A 76 8.455 -11.209 -11.484 1.00 17.01 H new ATOM 0 HD2 PRO A 76 7.080 -13.422 -10.325 1.00 13.84 H new ATOM 0 HD3 PRO A 76 8.307 -12.686 -9.706 1.00 13.84 H new ATOM 600 N GLY A 77 3.878 -9.560 -10.163 1.00 13.94 N ATOM 601 CA GLY A 77 2.448 -9.487 -9.952 1.00 12.58 C ATOM 602 C GLY A 77 2.148 -9.062 -8.528 1.00 12.94 C ATOM 603 O GLY A 77 1.010 -8.732 -8.199 1.00 12.71 O ATOM 0 H GLY A 77 4.289 -8.805 -10.131 1.00 13.94 H new ATOM 0 HA2 GLY A 77 2.055 -8.856 -10.574 1.00 12.58 H new ATOM 0 HA3 GLY A 77 2.044 -10.351 -10.131 1.00 12.58 H new ATOM 604 N THR A 78 3.162 -9.071 -7.668 1.00 12.71 N ATOM 605 CA THR A 78 2.936 -8.668 -6.285 1.00 13.56 C ATOM 606 C THR A 78 2.945 -7.138 -6.161 1.00 12.85 C ATOM 607 O THR A 78 3.828 -6.456 -6.686 1.00 10.24 O ATOM 608 CB THR A 78 3.977 -9.282 -5.328 1.00 12.81 C ATOM 609 OG1 THR A 78 3.546 -9.071 -3.981 1.00 14.96 O ATOM 610 CG2 THR A 78 5.344 -8.647 -5.524 1.00 14.06 C ATOM 0 H THR A 78 3.969 -9.301 -7.858 1.00 12.71 H new ATOM 0 HA THR A 78 2.063 -9.004 -6.027 1.00 13.56 H new ATOM 0 HB THR A 78 4.053 -10.230 -5.517 1.00 12.81 H new ATOM 0 HG1 THR A 78 2.770 -9.379 -3.883 1.00 14.96 H new ATOM 0 HG21 THR A 78 5.979 -9.050 -4.911 1.00 14.06 H new ATOM 0 HG22 THR A 78 5.640 -8.791 -6.437 1.00 14.06 H new ATOM 0 HG23 THR A 78 5.287 -7.695 -5.349 1.00 14.06 H new ATOM 611 N LYS A 79 1.948 -6.606 -5.467 1.00 11.56 N ATOM 612 CA LYS A 79 1.828 -5.168 -5.322 1.00 14.16 C ATOM 613 C LYS A 79 0.785 -4.861 -4.272 1.00 14.23 C ATOM 614 O LYS A 79 0.108 -5.756 -3.763 1.00 14.80 O ATOM 615 CB LYS A 79 1.366 -4.551 -6.648 1.00 12.67 C ATOM 616 CG LYS A 79 -0.068 -4.953 -6.996 1.00 17.69 C ATOM 617 CD LYS A 79 -0.433 -4.717 -8.461 1.00 20.38 C ATOM 618 CE LYS A 79 -1.810 -5.297 -8.771 1.00 18.95 C ATOM 619 NZ LYS A 79 -2.212 -5.108 -10.195 1.00 20.33 N ATOM 0 H LYS A 79 1.333 -7.061 -5.074 1.00 11.56 H new ATOM 0 HA LYS A 79 2.689 -4.802 -5.066 1.00 14.16 H new ATOM 0 HB2 LYS A 79 1.426 -3.584 -6.593 1.00 12.67 H new ATOM 0 HB3 LYS A 79 1.962 -4.832 -7.360 1.00 12.67 H new ATOM 0 HG2 LYS A 79 -0.192 -5.892 -6.787 1.00 17.69 H new ATOM 0 HG3 LYS A 79 -0.681 -4.454 -6.434 1.00 17.69 H new ATOM 0 HD2 LYS A 79 -0.427 -3.766 -8.652 1.00 20.38 H new ATOM 0 HD3 LYS A 79 0.233 -5.126 -9.035 1.00 20.38 H new ATOM 0 HE2 LYS A 79 -1.811 -6.244 -8.562 1.00 18.95 H new ATOM 0 HE3 LYS A 79 -2.469 -4.879 -8.195 1.00 18.95 H new ATOM 0 HZ1 LYS A 79 -2.992 -5.512 -10.340 1.00 20.33 H new ATOM 0 HZ2 LYS A 79 -2.292 -4.239 -10.368 1.00 20.33 H new ATOM 0 HZ3 LYS A 79 -1.593 -5.461 -10.728 1.00 20.33 H new ATOM 620 N MET A 80 0.662 -3.581 -3.952 1.00 15.41 N ATOM 621 CA MET A 80 -0.339 -3.150 -3.003 1.00 17.63 C ATOM 622 C MET A 80 -1.391 -2.464 -3.857 1.00 16.02 C ATOM 623 O MET A 80 -1.073 -1.610 -4.682 1.00 15.21 O ATOM 624 CB MET A 80 0.247 -2.171 -1.991 1.00 20.06 C ATOM 625 CG MET A 80 -0.728 -1.824 -0.885 1.00 27.19 C ATOM 626 SD MET A 80 -1.045 -0.058 -0.806 1.00 35.58 S ATOM 627 CE MET A 80 -2.038 0.146 -2.232 1.00 31.30 C ATOM 0 H MET A 80 1.149 -2.950 -4.275 1.00 15.41 H new ATOM 0 HA MET A 80 -0.696 -3.889 -2.487 1.00 17.63 H new ATOM 0 HB2 MET A 80 1.049 -2.554 -1.602 1.00 20.06 H new ATOM 0 HB3 MET A 80 0.514 -1.359 -2.449 1.00 20.06 H new ATOM 0 HG2 MET A 80 -1.563 -2.296 -1.030 1.00 27.19 H new ATOM 0 HG3 MET A 80 -0.374 -2.128 -0.034 1.00 27.19 H new ATOM 0 HE1 MET A 80 -2.709 0.826 -2.065 1.00 31.30 H new ATOM 0 HE2 MET A 80 -1.481 0.418 -2.978 1.00 31.30 H new ATOM 0 HE3 MET A 80 -2.475 -0.693 -2.445 1.00 31.30 H new ATOM 628 N ILE A 81 -2.641 -2.864 -3.672 1.00 16.22 N ATOM 629 CA ILE A 81 -3.748 -2.306 -4.426 1.00 17.06 C ATOM 630 C ILE A 81 -4.537 -1.351 -3.540 1.00 17.04 C ATOM 631 O ILE A 81 -4.925 -1.712 -2.428 1.00 13.83 O ATOM 632 CB ILE A 81 -4.679 -3.432 -4.924 1.00 18.41 C ATOM 633 CG1 ILE A 81 -3.889 -4.396 -5.809 1.00 21.15 C ATOM 634 CG2 ILE A 81 -5.840 -2.850 -5.687 1.00 19.54 C ATOM 635 CD1 ILE A 81 -4.673 -5.618 -6.256 1.00 25.59 C ATOM 0 H ILE A 81 -2.870 -3.468 -3.104 1.00 16.22 H new ATOM 0 HA ILE A 81 -3.396 -1.827 -5.192 1.00 17.06 H new ATOM 0 HB ILE A 81 -5.028 -3.918 -4.160 1.00 18.41 H new ATOM 0 HG12 ILE A 81 -3.580 -3.918 -6.594 1.00 21.15 H new ATOM 0 HG13 ILE A 81 -3.100 -4.689 -5.326 1.00 21.15 H new ATOM 0 HG21 ILE A 81 -6.417 -3.566 -5.994 1.00 19.54 H new ATOM 0 HG22 ILE A 81 -6.343 -2.256 -5.108 1.00 19.54 H new ATOM 0 HG23 ILE A 81 -5.509 -2.352 -6.451 1.00 19.54 H new ATOM 0 HD11 ILE A 81 -4.109 -6.179 -6.811 1.00 25.59 H new ATOM 0 HD12 ILE A 81 -4.962 -6.120 -5.478 1.00 25.59 H new ATOM 0 HD13 ILE A 81 -5.449 -5.336 -6.765 1.00 25.59 H new ATOM 636 N PHE A 82 -4.755 -0.133 -4.038 1.00 15.84 N ATOM 637 CA PHE A 82 -5.502 0.882 -3.307 1.00 15.48 C ATOM 638 C PHE A 82 -6.929 0.398 -3.082 1.00 15.41 C ATOM 639 O PHE A 82 -7.712 0.257 -4.028 1.00 15.96 O ATOM 640 CB PHE A 82 -5.524 2.196 -4.089 1.00 15.48 C ATOM 641 CG PHE A 82 -4.166 2.672 -4.503 1.00 16.91 C ATOM 642 CD1 PHE A 82 -3.163 2.864 -3.554 1.00 18.38 C ATOM 643 CD2 PHE A 82 -3.883 2.923 -5.842 1.00 15.35 C ATOM 644 CE1 PHE A 82 -1.891 3.299 -3.933 1.00 16.45 C ATOM 645 CE2 PHE A 82 -2.620 3.358 -6.234 1.00 15.93 C ATOM 646 CZ PHE A 82 -1.621 3.547 -5.278 1.00 17.60 C ATOM 0 H PHE A 82 -4.473 0.125 -4.809 1.00 15.84 H new ATOM 0 HA PHE A 82 -5.069 1.035 -2.453 1.00 15.48 H new ATOM 0 HB2 PHE A 82 -6.074 2.083 -4.880 1.00 15.48 H new ATOM 0 HB3 PHE A 82 -5.946 2.880 -3.546 1.00 15.48 H new ATOM 0 HD1 PHE A 82 -3.343 2.700 -2.656 1.00 18.38 H new ATOM 0 HD2 PHE A 82 -4.545 2.799 -6.483 1.00 15.35 H new ATOM 0 HE1 PHE A 82 -1.228 3.422 -3.292 1.00 16.45 H new ATOM 0 HE2 PHE A 82 -2.442 3.522 -7.132 1.00 15.93 H new ATOM 0 HZ PHE A 82 -0.777 3.838 -5.538 1.00 17.60 H new ATOM 647 N ALA A 83 -7.250 0.151 -1.817 1.00 14.74 N ATOM 648 CA ALA A 83 -8.557 -0.345 -1.414 1.00 14.99 C ATOM 649 C ALA A 83 -9.738 0.496 -1.902 1.00 13.63 C ATOM 650 O ALA A 83 -9.839 1.687 -1.603 1.00 12.49 O ATOM 651 CB ALA A 83 -8.599 -0.476 0.110 1.00 14.93 C ATOM 0 H ALA A 83 -6.707 0.269 -1.161 1.00 14.74 H new ATOM 0 HA ALA A 83 -8.663 -1.208 -1.843 1.00 14.99 H new ATOM 0 HB1 ALA A 83 -9.469 -0.807 0.383 1.00 14.93 H new ATOM 0 HB2 ALA A 83 -7.912 -1.096 0.401 1.00 14.93 H new ATOM 0 HB3 ALA A 83 -8.442 0.392 0.514 1.00 14.93 H new ATOM 652 N GLY A 84 -10.640 -0.141 -2.642 1.00 12.75 N ATOM 653 CA GLY A 84 -11.805 0.561 -3.147 1.00 13.27 C ATOM 654 C GLY A 84 -12.841 0.815 -2.067 1.00 12.69 C ATOM 655 O GLY A 84 -12.835 0.169 -1.024 1.00 12.88 O ATOM 0 H GLY A 84 -10.594 -0.972 -2.859 1.00 12.75 H new ATOM 0 HA2 GLY A 84 -11.528 1.407 -3.531 1.00 13.27 H new ATOM 0 HA3 GLY A 84 -12.207 0.043 -3.862 1.00 13.27 H new ATOM 656 N ILE A 85 -13.730 1.768 -2.316 1.00 13.09 N ATOM 657 CA ILE A 85 -14.788 2.110 -1.374 1.00 11.68 C ATOM 658 C ILE A 85 -16.113 1.820 -2.073 1.00 12.28 C ATOM 659 O ILE A 85 -16.591 2.624 -2.878 1.00 11.34 O ATOM 660 CB ILE A 85 -14.707 3.592 -0.979 1.00 10.49 C ATOM 661 CG1 ILE A 85 -13.411 3.837 -0.194 1.00 11.45 C ATOM 662 CG2 ILE A 85 -15.931 3.988 -0.182 1.00 11.04 C ATOM 663 CD1 ILE A 85 -13.204 5.271 0.249 1.00 12.99 C ATOM 0 H ILE A 85 -13.737 2.236 -3.038 1.00 13.09 H new ATOM 0 HA ILE A 85 -14.702 1.591 -0.559 1.00 11.68 H new ATOM 0 HB ILE A 85 -14.689 4.146 -1.775 1.00 10.49 H new ATOM 0 HG12 ILE A 85 -13.408 3.265 0.590 1.00 11.45 H new ATOM 0 HG13 ILE A 85 -12.658 3.569 -0.744 1.00 11.45 H new ATOM 0 HG21 ILE A 85 -15.869 4.925 0.062 1.00 11.04 H new ATOM 0 HG22 ILE A 85 -16.727 3.846 -0.718 1.00 11.04 H new ATOM 0 HG23 ILE A 85 -15.983 3.448 0.622 1.00 11.04 H new ATOM 0 HD11 ILE A 85 -12.368 5.342 0.736 1.00 12.99 H new ATOM 0 HD12 ILE A 85 -13.175 5.849 -0.529 1.00 12.99 H new ATOM 0 HD13 ILE A 85 -13.937 5.541 0.825 1.00 12.99 H new ATOM 664 N LYS A 86 -16.699 0.668 -1.747 1.00 10.78 N ATOM 665 CA LYS A 86 -17.933 0.216 -2.369 1.00 9.63 C ATOM 666 C LYS A 86 -19.230 0.914 -1.989 1.00 10.85 C ATOM 667 O LYS A 86 -20.147 0.991 -2.807 1.00 12.40 O ATOM 668 CB LYS A 86 -18.082 -1.293 -2.157 0.50 10.18 C ATOM 669 CG LYS A 86 -16.984 -2.114 -2.820 0.50 10.73 C ATOM 670 CD LYS A 86 -16.868 -1.781 -4.299 0.50 11.85 C ATOM 671 CE LYS A 86 -15.780 -2.595 -4.986 0.50 13.04 C ATOM 672 NZ LYS A 86 -16.093 -4.053 -4.993 0.50 14.08 N ATOM 0 H LYS A 86 -16.387 0.127 -1.156 1.00 10.78 H new ATOM 0 HA LYS A 86 -17.817 0.462 -3.300 1.00 9.63 H new ATOM 0 HB2 LYS A 86 -18.085 -1.479 -1.205 0.50 10.18 H new ATOM 0 HB3 LYS A 86 -18.942 -1.577 -2.504 0.50 10.18 H new ATOM 0 HG2 LYS A 86 -16.137 -1.942 -2.379 0.50 10.73 H new ATOM 0 HG3 LYS A 86 -17.173 -3.059 -2.712 0.50 10.73 H new ATOM 0 HD2 LYS A 86 -17.719 -1.948 -4.734 0.50 11.85 H new ATOM 0 HD3 LYS A 86 -16.677 -0.836 -4.402 0.50 11.85 H new ATOM 0 HE2 LYS A 86 -15.672 -2.284 -5.898 0.50 13.04 H new ATOM 0 HE3 LYS A 86 -14.934 -2.449 -4.534 0.50 13.04 H new ATOM 0 HZ1 LYS A 86 -15.508 -4.480 -5.511 0.50 14.08 H new ATOM 0 HZ2 LYS A 86 -16.042 -4.372 -4.164 0.50 14.08 H new ATOM 0 HZ3 LYS A 86 -16.916 -4.179 -5.309 0.50 14.08 H new ATOM 673 N LYS A 87 -19.323 1.428 -0.767 1.00 9.78 N ATOM 674 CA LYS A 87 -20.549 2.088 -0.344 1.00 8.98 C ATOM 675 C LYS A 87 -20.673 3.465 -1.000 1.00 11.45 C ATOM 676 O LYS A 87 -19.794 4.318 -0.856 1.00 11.64 O ATOM 677 CB LYS A 87 -20.586 2.205 1.183 0.50 8.11 C ATOM 678 CG LYS A 87 -21.995 2.211 1.760 0.50 5.51 C ATOM 679 CD LYS A 87 -21.982 2.270 3.284 0.50 3.40 C ATOM 680 CE LYS A 87 -23.399 2.303 3.842 0.50 1.75 C ATOM 681 NZ LYS A 87 -23.425 2.634 5.295 0.50 3.46 N ATOM 0 H LYS A 87 -18.698 1.406 -0.177 1.00 9.78 H new ATOM 0 HA LYS A 87 -21.306 1.552 -0.629 1.00 8.98 H new ATOM 0 HB2 LYS A 87 -20.090 1.466 1.569 0.50 8.11 H new ATOM 0 HB3 LYS A 87 -20.132 3.020 1.448 0.50 8.11 H new ATOM 0 HG2 LYS A 87 -22.484 2.972 1.411 0.50 5.51 H new ATOM 0 HG3 LYS A 87 -22.466 1.414 1.471 0.50 5.51 H new ATOM 0 HD2 LYS A 87 -21.510 1.500 3.637 0.50 3.40 H new ATOM 0 HD3 LYS A 87 -21.497 3.058 3.576 0.50 3.40 H new ATOM 0 HE2 LYS A 87 -23.922 2.958 3.353 0.50 1.75 H new ATOM 0 HE3 LYS A 87 -23.821 1.441 3.701 0.50 1.75 H new ATOM 0 HZ1 LYS A 87 -23.989 3.308 5.436 0.50 3.46 H new ATOM 0 HZ2 LYS A 87 -23.693 1.922 5.757 0.50 3.46 H new ATOM 0 HZ3 LYS A 87 -22.609 2.870 5.561 0.50 3.46 H new ATOM 682 N LYS A 88 -21.772 3.677 -1.718 1.00 11.46 N ATOM 683 CA LYS A 88 -21.987 4.933 -2.418 1.00 12.25 C ATOM 684 C LYS A 88 -22.059 6.165 -1.516 1.00 13.32 C ATOM 685 O LYS A 88 -21.466 7.200 -1.835 1.00 12.04 O ATOM 686 CB LYS A 88 -23.249 4.863 -3.283 1.00 13.70 C ATOM 687 CG LYS A 88 -23.447 6.125 -4.122 1.00 14.56 C ATOM 688 CD LYS A 88 -24.718 6.090 -4.934 1.00 16.83 C ATOM 689 CE LYS A 88 -24.919 7.406 -5.676 1.00 19.58 C ATOM 690 NZ LYS A 88 -26.158 7.393 -6.500 1.00 21.88 N ATOM 0 H LYS A 88 -22.406 3.103 -1.811 1.00 11.46 H new ATOM 0 HA LYS A 88 -21.198 5.046 -2.971 1.00 12.25 H new ATOM 0 HB2 LYS A 88 -23.194 4.092 -3.870 1.00 13.70 H new ATOM 0 HB3 LYS A 88 -24.023 4.731 -2.713 1.00 13.70 H new ATOM 0 HG2 LYS A 88 -23.462 6.899 -3.537 1.00 14.56 H new ATOM 0 HG3 LYS A 88 -22.690 6.235 -4.718 1.00 14.56 H new ATOM 0 HD2 LYS A 88 -24.682 5.358 -5.569 1.00 16.83 H new ATOM 0 HD3 LYS A 88 -25.475 5.923 -4.351 1.00 16.83 H new ATOM 0 HE2 LYS A 88 -24.964 8.134 -5.037 1.00 19.58 H new ATOM 0 HE3 LYS A 88 -24.153 7.576 -6.246 1.00 19.58 H new ATOM 0 HZ1 LYS A 88 -26.245 8.174 -6.918 1.00 21.88 H new ATOM 0 HZ2 LYS A 88 -26.108 6.739 -7.101 1.00 21.88 H new ATOM 0 HZ3 LYS A 88 -26.863 7.259 -5.974 1.00 21.88 H new ATOM 691 N THR A 89 -22.780 6.069 -0.403 1.00 11.86 N ATOM 692 CA THR A 89 -22.883 7.212 0.496 1.00 12.32 C ATOM 693 C THR A 89 -21.527 7.579 1.092 1.00 12.59 C ATOM 694 O THR A 89 -21.258 8.753 1.340 1.00 11.39 O ATOM 695 CB THR A 89 -23.879 6.953 1.640 1.00 14.66 C ATOM 696 OG1 THR A 89 -23.495 5.775 2.363 1.00 13.42 O ATOM 697 CG2 THR A 89 -25.286 6.782 1.081 1.00 15.10 C ATOM 0 H THR A 89 -23.209 5.366 -0.154 1.00 11.86 H new ATOM 0 HA THR A 89 -23.207 7.952 -0.041 1.00 12.32 H new ATOM 0 HB THR A 89 -23.871 7.713 2.242 1.00 14.66 H new ATOM 0 HG1 THR A 89 -24.041 5.639 2.987 1.00 13.42 H new ATOM 0 HG21 THR A 89 -25.906 6.619 1.809 1.00 15.10 H new ATOM 0 HG22 THR A 89 -25.547 7.588 0.609 1.00 15.10 H new ATOM 0 HG23 THR A 89 -25.302 6.030 0.469 1.00 15.10 H new ATOM 698 N GLU A 90 -20.670 6.584 1.321 1.00 12.00 N ATOM 699 CA GLU A 90 -19.351 6.867 1.875 1.00 12.02 C ATOM 700 C GLU A 90 -18.516 7.619 0.841 1.00 11.78 C ATOM 701 O GLU A 90 -17.842 8.587 1.175 1.00 12.07 O ATOM 702 CB GLU A 90 -18.639 5.574 2.316 1.00 13.02 C ATOM 703 CG GLU A 90 -19.288 4.880 3.540 1.00 14.29 C ATOM 704 CD GLU A 90 -18.520 3.647 4.040 1.00 15.65 C ATOM 705 OE1 GLU A 90 -17.683 3.101 3.289 1.00 14.92 O ATOM 706 OE2 GLU A 90 -18.770 3.210 5.188 1.00 14.92 O ATOM 0 H GLU A 90 -20.830 5.754 1.165 1.00 12.00 H new ATOM 0 HA GLU A 90 -19.458 7.421 2.664 1.00 12.02 H new ATOM 0 HB2 GLU A 90 -18.629 4.952 1.572 1.00 13.02 H new ATOM 0 HB3 GLU A 90 -17.715 5.781 2.526 1.00 13.02 H new ATOM 0 HG2 GLU A 90 -19.358 5.521 4.264 1.00 14.29 H new ATOM 0 HG3 GLU A 90 -20.192 4.614 3.308 1.00 14.29 H new ATOM 707 N ARG A 91 -18.572 7.180 -0.415 1.00 12.17 N ATOM 708 CA ARG A 91 -17.832 7.842 -1.485 1.00 10.99 C ATOM 709 C ARG A 91 -18.335 9.266 -1.659 1.00 11.56 C ATOM 710 O ARG A 91 -17.557 10.174 -1.953 1.00 11.35 O ATOM 711 CB ARG A 91 -17.998 7.095 -2.813 1.00 10.94 C ATOM 712 CG ARG A 91 -17.036 5.923 -3.033 1.00 13.39 C ATOM 713 CD ARG A 91 -17.368 5.206 -4.338 1.00 12.55 C ATOM 714 NE ARG A 91 -18.698 4.605 -4.273 1.00 16.23 N ATOM 715 CZ ARG A 91 -19.440 4.291 -5.329 1.00 16.72 C ATOM 716 NH1 ARG A 91 -18.993 4.523 -6.554 1.00 20.58 N ATOM 717 NH2 ARG A 91 -20.626 3.729 -5.161 1.00 16.32 N ATOM 0 H ARG A 91 -19.033 6.500 -0.668 1.00 12.17 H new ATOM 0 HA ARG A 91 -16.894 7.846 -1.239 1.00 10.99 H new ATOM 0 HB2 ARG A 91 -18.907 6.762 -2.868 1.00 10.94 H new ATOM 0 HB3 ARG A 91 -17.884 7.728 -3.539 1.00 10.94 H new ATOM 0 HG2 ARG A 91 -16.122 6.247 -3.058 1.00 13.39 H new ATOM 0 HG3 ARG A 91 -17.097 5.302 -2.290 1.00 13.39 H new ATOM 0 HD2 ARG A 91 -17.327 5.833 -5.077 1.00 12.55 H new ATOM 0 HD3 ARG A 91 -16.706 4.519 -4.513 1.00 12.55 H new ATOM 0 HE ARG A 91 -19.024 4.443 -3.494 1.00 16.23 H new ATOM 0 HH11 ARG A 91 -18.219 4.879 -6.669 1.00 20.58 H new ATOM 0 HH12 ARG A 91 -19.477 4.318 -7.234 1.00 20.58 H new ATOM 0 HH21 ARG A 91 -20.917 3.567 -4.368 1.00 16.32 H new ATOM 0 HH22 ARG A 91 -21.106 3.526 -5.845 1.00 16.32 H new ATOM 718 N GLU A 92 -19.638 9.459 -1.484 1.00 10.90 N ATOM 719 CA GLU A 92 -20.229 10.784 -1.628 1.00 13.83 C ATOM 720 C GLU A 92 -19.752 11.698 -0.511 1.00 11.99 C ATOM 721 O GLU A 92 -19.417 12.857 -0.748 1.00 12.90 O ATOM 722 CB GLU A 92 -21.764 10.700 -1.613 1.00 14.96 C ATOM 723 CG GLU A 92 -22.349 9.859 -2.751 1.00 15.30 C ATOM 724 CD GLU A 92 -23.860 9.712 -2.666 1.00 16.70 C ATOM 725 OE1 GLU A 92 -24.395 9.646 -1.535 1.00 18.36 O ATOM 726 OE2 GLU A 92 -24.515 9.646 -3.728 1.00 16.59 O ATOM 0 H GLU A 92 -20.196 8.837 -1.282 1.00 10.90 H new ATOM 0 HA GLU A 92 -19.947 11.150 -2.481 1.00 13.83 H new ATOM 0 HB2 GLU A 92 -22.051 10.326 -0.765 1.00 14.96 H new ATOM 0 HB3 GLU A 92 -22.129 11.597 -1.665 1.00 14.96 H new ATOM 0 HG2 GLU A 92 -22.116 10.266 -3.600 1.00 15.30 H new ATOM 0 HG3 GLU A 92 -21.942 8.978 -2.738 1.00 15.30 H new ATOM 727 N ASP A 93 -19.709 11.170 0.708 1.00 12.42 N ATOM 728 CA ASP A 93 -19.273 11.969 1.850 1.00 10.74 C ATOM 729 C ASP A 93 -17.789 12.288 1.753 1.00 10.39 C ATOM 730 O ASP A 93 -17.363 13.396 2.092 1.00 8.73 O ATOM 731 CB ASP A 93 -19.574 11.245 3.165 1.00 8.12 C ATOM 732 CG ASP A 93 -21.060 10.989 3.357 1.00 11.04 C ATOM 733 OD1 ASP A 93 -21.867 11.663 2.673 1.00 8.92 O ATOM 734 OD2 ASP A 93 -21.421 10.119 4.189 1.00 9.26 O ATOM 0 H ASP A 93 -19.926 10.359 0.895 1.00 12.42 H new ATOM 0 HA ASP A 93 -19.768 12.803 1.836 1.00 10.74 H new ATOM 0 HB2 ASP A 93 -19.098 10.400 3.183 1.00 8.12 H new ATOM 0 HB3 ASP A 93 -19.241 11.774 3.907 1.00 8.12 H new ATOM 735 N LEU A 94 -17.007 11.322 1.276 1.00 8.83 N ATOM 736 CA LEU A 94 -15.569 11.528 1.134 1.00 8.22 C ATOM 737 C LEU A 94 -15.262 12.603 0.094 1.00 6.85 C ATOM 738 O LEU A 94 -14.366 13.422 0.281 1.00 9.55 O ATOM 739 CB LEU A 94 -14.871 10.225 0.731 1.00 5.34 C ATOM 740 CG LEU A 94 -13.362 10.316 0.447 1.00 6.56 C ATOM 741 CD1 LEU A 94 -12.640 10.926 1.635 1.00 2.10 C ATOM 742 CD2 LEU A 94 -12.811 8.932 0.154 1.00 5.16 C ATOM 0 H LEU A 94 -17.287 10.547 1.031 1.00 8.83 H new ATOM 0 HA LEU A 94 -15.235 11.821 1.996 1.00 8.22 H new ATOM 0 HB2 LEU A 94 -15.008 9.575 1.438 1.00 5.34 H new ATOM 0 HB3 LEU A 94 -15.309 9.878 -0.062 1.00 5.34 H new ATOM 0 HG LEU A 94 -13.220 10.884 -0.326 1.00 6.56 H new ATOM 0 HD11 LEU A 94 -11.690 10.978 1.445 1.00 2.10 H new ATOM 0 HD12 LEU A 94 -12.986 11.817 1.801 1.00 2.10 H new ATOM 0 HD13 LEU A 94 -12.782 10.373 2.419 1.00 2.10 H new ATOM 0 HD21 LEU A 94 -11.860 8.993 -0.025 1.00 5.16 H new ATOM 0 HD22 LEU A 94 -12.959 8.356 0.920 1.00 5.16 H new ATOM 0 HD23 LEU A 94 -13.262 8.561 -0.621 1.00 5.16 H new ATOM 743 N ILE A 95 -16.011 12.592 -0.999 1.00 6.92 N ATOM 744 CA ILE A 95 -15.796 13.547 -2.076 1.00 7.64 C ATOM 745 C ILE A 95 -16.229 14.941 -1.660 1.00 8.42 C ATOM 746 O ILE A 95 -15.631 15.939 -2.081 1.00 7.62 O ATOM 747 CB ILE A 95 -16.561 13.128 -3.353 1.00 6.43 C ATOM 748 CG1 ILE A 95 -16.019 11.788 -3.861 1.00 8.16 C ATOM 749 CG2 ILE A 95 -16.407 14.203 -4.432 1.00 6.07 C ATOM 750 CD1 ILE A 95 -16.750 11.226 -5.080 1.00 8.13 C ATOM 0 H ILE A 95 -16.653 12.036 -1.138 1.00 6.92 H new ATOM 0 HA ILE A 95 -14.845 13.556 -2.269 1.00 7.64 H new ATOM 0 HB ILE A 95 -17.503 13.030 -3.144 1.00 6.43 H new ATOM 0 HG12 ILE A 95 -15.081 11.895 -4.082 1.00 8.16 H new ATOM 0 HG13 ILE A 95 -16.068 11.139 -3.142 1.00 8.16 H new ATOM 0 HG21 ILE A 95 -16.889 13.933 -5.229 1.00 6.07 H new ATOM 0 HG22 ILE A 95 -16.767 15.043 -4.106 1.00 6.07 H new ATOM 0 HG23 ILE A 95 -15.467 14.315 -4.645 1.00 6.07 H new ATOM 0 HD11 ILE A 95 -16.348 10.381 -5.337 1.00 8.13 H new ATOM 0 HD12 ILE A 95 -17.685 11.086 -4.861 1.00 8.13 H new ATOM 0 HD13 ILE A 95 -16.682 11.854 -5.816 1.00 8.13 H new ATOM 751 N ALA A 96 -17.273 15.003 -0.837 1.00 8.60 N ATOM 752 CA ALA A 96 -17.771 16.275 -0.348 1.00 8.60 C ATOM 753 C ALA A 96 -16.680 16.879 0.523 1.00 9.18 C ATOM 754 O ALA A 96 -16.410 18.080 0.441 1.00 9.90 O ATOM 755 CB ALA A 96 -19.053 16.076 0.448 1.00 9.30 C ATOM 0 H ALA A 96 -17.705 14.316 -0.552 1.00 8.60 H new ATOM 0 HA ALA A 96 -17.983 16.868 -1.085 1.00 8.60 H new ATOM 0 HB1 ALA A 96 -19.372 16.934 0.767 1.00 9.30 H new ATOM 0 HB2 ALA A 96 -19.727 15.671 -0.120 1.00 9.30 H new ATOM 0 HB3 ALA A 96 -18.877 15.495 1.205 1.00 9.30 H new ATOM 756 N TYR A 97 -16.040 16.052 1.349 1.00 8.56 N ATOM 757 CA TYR A 97 -14.960 16.558 2.191 1.00 8.20 C ATOM 758 C TYR A 97 -13.779 16.963 1.323 1.00 7.73 C ATOM 759 O TYR A 97 -13.121 17.976 1.588 1.00 6.56 O ATOM 760 CB TYR A 97 -14.464 15.516 3.196 1.00 9.42 C ATOM 761 CG TYR A 97 -13.211 15.992 3.910 1.00 9.43 C ATOM 762 CD1 TYR A 97 -13.257 17.085 4.783 1.00 8.85 C ATOM 763 CD2 TYR A 97 -11.972 15.408 3.656 1.00 9.50 C ATOM 764 CE1 TYR A 97 -12.105 17.585 5.373 1.00 7.03 C ATOM 765 CE2 TYR A 97 -10.808 15.902 4.248 1.00 9.23 C ATOM 766 CZ TYR A 97 -10.883 16.993 5.102 1.00 9.64 C ATOM 767 OH TYR A 97 -9.736 17.509 5.665 1.00 7.61 O ATOM 0 H TYR A 97 -16.211 15.214 1.436 1.00 8.56 H new ATOM 0 HA TYR A 97 -15.319 17.315 2.679 1.00 8.20 H new ATOM 0 HB2 TYR A 97 -15.160 15.334 3.846 1.00 9.42 H new ATOM 0 HB3 TYR A 97 -14.280 14.682 2.736 1.00 9.42 H new ATOM 0 HD1 TYR A 97 -14.076 17.484 4.971 1.00 8.85 H new ATOM 0 HD2 TYR A 97 -11.919 14.677 3.083 1.00 9.50 H new ATOM 0 HE1 TYR A 97 -12.153 18.314 5.948 1.00 7.03 H new ATOM 0 HE2 TYR A 97 -9.987 15.502 4.071 1.00 9.23 H new ATOM 0 HH TYR A 97 -9.074 17.055 5.418 1.00 7.61 H new ATOM 768 N LEU A 98 -13.503 16.159 0.298 1.00 7.31 N ATOM 769 CA LEU A 98 -12.395 16.448 -0.605 1.00 8.51 C ATOM 770 C LEU A 98 -12.661 17.744 -1.365 1.00 10.14 C ATOM 771 O LEU A 98 -11.776 18.584 -1.501 1.00 10.85 O ATOM 772 CB LEU A 98 -12.186 15.304 -1.604 1.00 6.34 C ATOM 773 CG LEU A 98 -11.656 13.957 -1.084 1.00 8.37 C ATOM 774 CD1 LEU A 98 -11.479 13.010 -2.267 1.00 3.93 C ATOM 775 CD2 LEU A 98 -10.317 14.149 -0.350 1.00 1.71 C ATOM 0 H LEU A 98 -13.944 15.445 0.110 1.00 7.31 H new ATOM 0 HA LEU A 98 -11.591 16.544 -0.071 1.00 8.51 H new ATOM 0 HB2 LEU A 98 -13.035 15.137 -2.042 1.00 6.34 H new ATOM 0 HB3 LEU A 98 -11.572 15.618 -2.286 1.00 6.34 H new ATOM 0 HG LEU A 98 -12.291 13.581 -0.454 1.00 8.37 H new ATOM 0 HD11 LEU A 98 -11.145 12.156 -1.951 1.00 3.93 H new ATOM 0 HD12 LEU A 98 -12.333 12.879 -2.708 1.00 3.93 H new ATOM 0 HD13 LEU A 98 -10.846 13.392 -2.896 1.00 3.93 H new ATOM 0 HD21 LEU A 98 -9.998 13.291 -0.029 1.00 1.71 H new ATOM 0 HD22 LEU A 98 -9.665 14.529 -0.960 1.00 1.71 H new ATOM 0 HD23 LEU A 98 -10.443 14.748 0.402 1.00 1.71 H new ATOM 776 N LYS A 99 -13.883 17.905 -1.861 1.00 10.66 N ATOM 777 CA LYS A 99 -14.230 19.110 -2.610 1.00 11.21 C ATOM 778 C LYS A 99 -13.999 20.364 -1.760 1.00 10.45 C ATOM 779 O LYS A 99 -13.545 21.385 -2.263 1.00 9.19 O ATOM 780 CB LYS A 99 -15.689 19.043 -3.070 1.00 11.43 C ATOM 781 CG LYS A 99 -16.136 20.223 -3.923 1.00 14.00 C ATOM 782 CD LYS A 99 -17.558 20.026 -4.393 1.00 15.57 C ATOM 783 CE LYS A 99 -17.946 21.063 -5.424 1.00 20.02 C ATOM 784 NZ LYS A 99 -19.331 20.830 -5.938 1.00 22.96 N ATOM 0 H LYS A 99 -14.521 17.335 -1.777 1.00 10.66 H new ATOM 0 HA LYS A 99 -13.656 19.161 -3.390 1.00 11.21 H new ATOM 0 HB2 LYS A 99 -15.820 18.225 -3.575 1.00 11.43 H new ATOM 0 HB3 LYS A 99 -16.261 18.988 -2.288 1.00 11.43 H new ATOM 0 HG2 LYS A 99 -16.070 21.044 -3.410 1.00 14.00 H new ATOM 0 HG3 LYS A 99 -15.547 20.318 -4.688 1.00 14.00 H new ATOM 0 HD2 LYS A 99 -17.655 19.138 -4.772 1.00 15.57 H new ATOM 0 HD3 LYS A 99 -18.161 20.079 -3.635 1.00 15.57 H new ATOM 0 HE2 LYS A 99 -17.889 21.948 -5.032 1.00 20.02 H new ATOM 0 HE3 LYS A 99 -17.317 21.039 -6.162 1.00 20.02 H new ATOM 0 HZ1 LYS A 99 -19.593 21.534 -6.416 1.00 22.96 H new ATOM 0 HZ2 LYS A 99 -19.339 20.103 -6.452 1.00 22.96 H new ATOM 0 HZ3 LYS A 99 -19.887 20.714 -5.253 1.00 22.96 H new ATOM 785 N LYS A 100 -14.299 20.273 -0.470 1.00 10.37 N ATOM 786 CA LYS A 100 -14.120 21.402 0.439 1.00 11.39 C ATOM 787 C LYS A 100 -12.669 21.674 0.841 1.00 11.21 C ATOM 788 O LYS A 100 -12.172 22.797 0.691 1.00 9.35 O ATOM 789 CB LYS A 100 -14.941 21.184 1.711 1.00 13.29 C ATOM 790 CG LYS A 100 -14.694 22.219 2.812 1.00 11.20 C ATOM 791 CD LYS A 100 -15.569 21.926 4.033 1.00 12.98 C ATOM 792 CE LYS A 100 -15.362 22.947 5.146 1.00 11.43 C ATOM 793 NZ LYS A 100 -13.986 22.875 5.724 1.00 8.89 N ATOM 0 H LYS A 100 -14.609 19.563 -0.098 1.00 10.37 H new ATOM 0 HA LYS A 100 -14.424 22.178 -0.057 1.00 11.39 H new ATOM 0 HB2 LYS A 100 -15.883 21.193 1.480 1.00 13.29 H new ATOM 0 HB3 LYS A 100 -14.744 20.302 2.062 1.00 13.29 H new ATOM 0 HG2 LYS A 100 -13.759 22.209 3.068 1.00 11.20 H new ATOM 0 HG3 LYS A 100 -14.886 23.108 2.476 1.00 11.20 H new ATOM 0 HD2 LYS A 100 -16.502 21.924 3.768 1.00 12.98 H new ATOM 0 HD3 LYS A 100 -15.367 21.038 4.368 1.00 12.98 H new ATOM 0 HE2 LYS A 100 -15.520 23.839 4.799 1.00 11.43 H new ATOM 0 HE3 LYS A 100 -16.015 22.796 5.847 1.00 11.43 H new ATOM 0 HZ1 LYS A 100 -13.982 23.254 6.529 1.00 8.89 H new ATOM 0 HZ2 LYS A 100 -13.738 22.023 5.796 1.00 8.89 H new ATOM 0 HZ3 LYS A 100 -13.417 23.305 5.191 1.00 8.89 H new ATOM 794 N ALA A 101 -11.995 20.641 1.344 1.00 10.04 N ATOM 795 CA ALA A 101 -10.622 20.782 1.822 1.00 10.58 C ATOM 796 C ALA A 101 -9.550 21.017 0.769 1.00 10.23 C ATOM 797 O ALA A 101 -8.589 21.742 1.033 1.00 9.43 O ATOM 798 CB ALA A 101 -10.242 19.578 2.692 1.00 8.96 C ATOM 0 H ALA A 101 -12.317 19.847 1.417 1.00 10.04 H new ATOM 0 HA ALA A 101 -10.636 21.606 2.334 1.00 10.58 H new ATOM 0 HB1 ALA A 101 -9.330 19.680 3.005 1.00 8.96 H new ATOM 0 HB2 ALA A 101 -10.841 19.527 3.453 1.00 8.96 H new ATOM 0 HB3 ALA A 101 -10.315 18.765 2.169 1.00 8.96 H new ATOM 799 N THR A 102 -9.692 20.414 -0.408 1.00 9.18 N ATOM 800 CA THR A 102 -8.692 20.617 -1.455 1.00 10.26 C ATOM 801 C THR A 102 -8.906 21.967 -2.149 1.00 13.12 C ATOM 802 O THR A 102 -8.139 22.350 -3.041 1.00 12.53 O ATOM 803 CB THR A 102 -8.727 19.486 -2.520 1.00 8.50 C ATOM 804 OG1 THR A 102 -9.982 19.498 -3.207 1.00 5.61 O ATOM 805 CG2 THR A 102 -8.536 18.126 -1.855 1.00 8.38 C ATOM 0 H THR A 102 -10.344 19.895 -0.619 1.00 9.18 H new ATOM 0 HA THR A 102 -7.824 20.603 -1.022 1.00 10.26 H new ATOM 0 HB THR A 102 -8.007 19.639 -3.152 1.00 8.50 H new ATOM 0 HG1 THR A 102 -10.537 19.031 -2.784 1.00 5.61 H new ATOM 0 HG21 THR A 102 -8.560 17.429 -2.530 1.00 8.38 H new ATOM 0 HG22 THR A 102 -7.680 18.106 -1.400 1.00 8.38 H new ATOM 0 HG23 THR A 102 -9.247 17.977 -1.212 1.00 8.38 H new ATOM 806 N ASN A 103 -9.940 22.690 -1.726 1.00 13.00 N ATOM 807 CA ASN A 103 -10.249 23.990 -2.313 1.00 16.74 C ATOM 808 C ASN A 103 -10.282 25.134 -1.299 1.00 17.22 C ATOM 809 O ASN A 103 -10.731 26.231 -1.616 1.00 18.29 O ATOM 810 CB ASN A 103 -11.595 23.936 -3.045 1.00 18.67 C ATOM 811 CG ASN A 103 -11.497 23.271 -4.407 1.00 22.71 C ATOM 812 OD1 ASN A 103 -10.607 23.589 -5.203 1.00 26.22 O ATOM 813 ND2 ASN A 103 -12.423 22.355 -4.691 1.00 22.87 N ATOM 0 H ASN A 103 -10.475 22.445 -1.099 1.00 13.00 H new ATOM 0 HA ASN A 103 -9.525 24.177 -2.931 1.00 16.74 H new ATOM 0 HB2 ASN A 103 -12.236 23.454 -2.500 1.00 18.67 H new ATOM 0 HB3 ASN A 103 -11.936 24.838 -3.154 1.00 18.67 H new ATOM 0 HD21 ASN A 103 -12.416 21.959 -5.454 1.00 22.87 H new ATOM 0 HD22 ASN A 103 -13.027 22.160 -4.111 1.00 22.87 H new ATOM 814 N GLU A 104 -9.810 24.892 -0.083 1.00 19.20 N ATOM 815 CA GLU A 104 -9.828 25.945 0.926 1.00 20.53 C ATOM 816 C GLU A 104 -8.423 26.342 1.378 1.00 21.45 C ATOM 817 O GLU A 104 -7.452 25.647 1.010 1.00 22.06 O ATOM 818 CB GLU A 104 -10.662 25.490 2.129 1.00 18.24 C ATOM 819 CG GLU A 104 -10.145 24.214 2.755 1.00 17.49 C ATOM 820 CD GLU A 104 -11.008 23.703 3.892 1.00 14.02 C ATOM 821 OE1 GLU A 104 -10.537 22.790 4.590 1.00 14.00 O ATOM 822 OE2 GLU A 104 -12.143 24.195 4.089 1.00 10.10 O ATOM 823 OXT GLU A 104 -8.312 27.351 2.102 1.00 24.52 O ATOM 0 H GLU A 104 -9.481 24.141 0.176 1.00 19.20 H new ATOM 0 HA GLU A 104 -10.229 26.731 0.523 1.00 20.53 H new ATOM 0 HB2 GLU A 104 -10.668 26.193 2.797 1.00 18.24 H new ATOM 0 HB3 GLU A 104 -11.581 25.358 1.848 1.00 18.24 H new ATOM 0 HG2 GLU A 104 -10.085 23.529 2.071 1.00 17.49 H new ATOM 0 HG3 GLU A 104 -9.245 24.366 3.085 1.00 17.49 H new TER 824 GLU A 104 ATOM 825 N GLY B 1 -23.449 15.812 -0.051 1.00 14.34 N ATOM 826 CA GLY B 1 -22.412 14.987 0.663 1.00 16.63 C ATOM 827 C GLY B 1 -22.183 15.459 2.090 1.00 16.26 C ATOM 828 O GLY B 1 -22.166 16.660 2.345 1.00 17.59 O ATOM 0 H1 GLY B 1 -23.554 15.505 -0.880 1.00 14.34 H new ATOM 0 H2 GLY B 1 -24.223 15.758 0.385 1.00 14.34 H new ATOM 0 H3 GLY B 1 -23.184 16.661 -0.081 1.00 14.34 H new ATOM 0 HA2 GLY B 1 -22.691 14.058 0.672 1.00 16.63 H new ATOM 0 HA3 GLY B 1 -21.576 15.027 0.173 1.00 16.63 H new ATOM 829 N ASP B 2 -21.996 14.513 3.012 1.00 16.49 N ATOM 830 CA ASP B 2 -21.785 14.810 4.435 1.00 15.01 C ATOM 831 C ASP B 2 -20.304 15.054 4.754 1.00 14.61 C ATOM 832 O ASP B 2 -19.530 14.111 4.947 1.00 13.47 O ATOM 833 CB ASP B 2 -22.320 13.644 5.285 1.00 15.90 C ATOM 834 CG ASP B 2 -22.380 13.968 6.775 1.00 16.17 C ATOM 835 OD1 ASP B 2 -21.330 14.283 7.373 1.00 17.51 O ATOM 836 OD2 ASP B 2 -23.483 13.900 7.353 1.00 15.75 O ATOM 0 H ASP B 2 -21.988 13.673 2.829 1.00 16.49 H new ATOM 0 HA ASP B 2 -22.267 15.625 4.647 1.00 15.01 H new ATOM 0 HB2 ASP B 2 -23.208 13.406 4.975 1.00 15.90 H new ATOM 0 HB3 ASP B 2 -21.755 12.867 5.151 1.00 15.90 H new ATOM 837 N VAL B 3 -19.925 16.329 4.803 1.00 12.82 N ATOM 838 CA VAL B 3 -18.553 16.740 5.085 1.00 11.80 C ATOM 839 C VAL B 3 -17.952 16.089 6.334 1.00 11.64 C ATOM 840 O VAL B 3 -16.836 15.567 6.303 1.00 10.70 O ATOM 841 CB VAL B 3 -18.472 18.273 5.242 1.00 10.08 C ATOM 842 CG1 VAL B 3 -17.045 18.689 5.579 1.00 10.02 C ATOM 843 CG2 VAL B 3 -18.941 18.939 3.965 1.00 9.92 C ATOM 0 H VAL B 3 -20.464 16.986 4.672 1.00 12.82 H new ATOM 0 HA VAL B 3 -18.033 16.439 4.324 1.00 11.80 H new ATOM 0 HB VAL B 3 -19.049 18.555 5.969 1.00 10.08 H new ATOM 0 HG11 VAL B 3 -17.003 19.653 5.676 1.00 10.02 H new ATOM 0 HG12 VAL B 3 -16.773 18.269 6.410 1.00 10.02 H new ATOM 0 HG13 VAL B 3 -16.449 18.410 4.866 1.00 10.02 H new ATOM 0 HG21 VAL B 3 -18.890 19.903 4.065 1.00 9.92 H new ATOM 0 HG22 VAL B 3 -18.376 18.660 3.228 1.00 9.92 H new ATOM 0 HG23 VAL B 3 -19.858 18.682 3.784 1.00 9.92 H new ATOM 844 N GLU B 4 -18.684 16.148 7.439 1.00 12.17 N ATOM 845 CA GLU B 4 -18.225 15.552 8.684 1.00 11.59 C ATOM 846 C GLU B 4 -17.857 14.076 8.498 1.00 11.51 C ATOM 847 O GLU B 4 -16.801 13.634 8.949 1.00 12.37 O ATOM 848 CB GLU B 4 -19.309 15.692 9.757 1.00 13.41 C ATOM 849 CG GLU B 4 -19.167 14.724 10.914 1.00 15.10 C ATOM 850 CD GLU B 4 -20.156 14.995 12.022 1.00 18.29 C ATOM 851 OE1 GLU B 4 -21.361 15.139 11.720 1.00 18.50 O ATOM 852 OE2 GLU B 4 -19.727 15.055 13.196 1.00 17.12 O ATOM 0 H GLU B 4 -19.453 16.531 7.488 1.00 12.17 H new ATOM 0 HA GLU B 4 -17.426 16.024 8.966 1.00 11.59 H new ATOM 0 HB2 GLU B 4 -19.292 16.598 10.103 1.00 13.41 H new ATOM 0 HB3 GLU B 4 -20.177 15.562 9.344 1.00 13.41 H new ATOM 0 HG2 GLU B 4 -19.289 13.818 10.590 1.00 15.10 H new ATOM 0 HG3 GLU B 4 -18.266 14.779 11.269 1.00 15.10 H new ATOM 853 N LYS B 5 -18.719 13.313 7.835 1.00 10.26 N ATOM 854 CA LYS B 5 -18.434 11.897 7.628 1.00 11.07 C ATOM 855 C LYS B 5 -17.266 11.682 6.679 1.00 9.97 C ATOM 856 O LYS B 5 -16.453 10.786 6.892 1.00 11.11 O ATOM 857 CB LYS B 5 -19.664 11.159 7.094 1.00 11.38 C ATOM 858 CG LYS B 5 -20.827 11.100 8.069 1.00 13.59 C ATOM 859 CD LYS B 5 -21.888 10.136 7.587 1.00 16.42 C ATOM 860 CE LYS B 5 -23.141 10.249 8.425 1.00 18.72 C ATOM 861 NZ LYS B 5 -23.765 11.583 8.208 1.00 22.78 N ATOM 0 H LYS B 5 -19.462 13.589 7.502 1.00 10.26 H new ATOM 0 HA LYS B 5 -18.193 11.535 8.495 1.00 11.07 H new ATOM 0 HB2 LYS B 5 -19.960 11.593 6.279 1.00 11.38 H new ATOM 0 HB3 LYS B 5 -19.408 10.254 6.857 1.00 11.38 H new ATOM 0 HG2 LYS B 5 -20.508 10.825 8.943 1.00 13.59 H new ATOM 0 HG3 LYS B 5 -21.212 11.984 8.173 1.00 13.59 H new ATOM 0 HD2 LYS B 5 -22.098 10.319 6.658 1.00 16.42 H new ATOM 0 HD3 LYS B 5 -21.548 9.228 7.628 1.00 16.42 H new ATOM 0 HE2 LYS B 5 -23.766 9.546 8.186 1.00 18.72 H new ATOM 0 HE3 LYS B 5 -22.926 10.131 9.363 1.00 18.72 H new ATOM 0 HZ1 LYS B 5 -24.604 11.571 8.506 1.00 22.78 H new ATOM 0 HZ2 LYS B 5 -23.303 12.203 8.649 1.00 22.78 H new ATOM 0 HZ3 LYS B 5 -23.762 11.774 7.339 1.00 22.78 H new ATOM 862 N GLY B 6 -17.187 12.497 5.633 1.00 9.20 N ATOM 863 CA GLY B 6 -16.102 12.359 4.681 1.00 7.86 C ATOM 864 C GLY B 6 -14.760 12.625 5.336 1.00 8.80 C ATOM 865 O GLY B 6 -13.748 12.011 4.988 1.00 6.45 O ATOM 0 H GLY B 6 -17.746 13.128 5.461 1.00 9.20 H new ATOM 0 HA2 GLY B 6 -16.110 11.465 4.305 1.00 7.86 H new ATOM 0 HA3 GLY B 6 -16.234 12.977 3.945 1.00 7.86 H new ATOM 866 N LYS B 7 -14.764 13.548 6.293 1.00 9.22 N ATOM 867 CA LYS B 7 -13.560 13.922 7.020 1.00 8.44 C ATOM 868 C LYS B 7 -12.994 12.711 7.766 1.00 7.80 C ATOM 869 O LYS B 7 -11.796 12.442 7.702 1.00 5.22 O ATOM 870 CB LYS B 7 -13.879 15.036 8.017 1.00 9.31 C ATOM 871 CG LYS B 7 -12.648 15.675 8.670 1.00 11.46 C ATOM 872 CD LYS B 7 -13.022 16.484 9.910 1.00 12.18 C ATOM 873 CE LYS B 7 -14.083 17.558 9.606 1.00 15.29 C ATOM 874 NZ LYS B 7 -14.501 18.332 10.835 1.00 11.09 N ATOM 0 H LYS B 7 -15.469 13.975 6.538 1.00 9.22 H new ATOM 0 HA LYS B 7 -12.899 14.239 6.385 1.00 8.44 H new ATOM 0 HB2 LYS B 7 -14.385 15.727 7.562 1.00 9.31 H new ATOM 0 HB3 LYS B 7 -14.451 14.677 8.713 1.00 9.31 H new ATOM 0 HG2 LYS B 7 -12.015 14.982 8.914 1.00 11.46 H new ATOM 0 HG3 LYS B 7 -12.204 16.252 8.029 1.00 11.46 H new ATOM 0 HD2 LYS B 7 -13.357 15.885 10.596 1.00 12.18 H new ATOM 0 HD3 LYS B 7 -12.227 16.909 10.269 1.00 12.18 H new ATOM 0 HE2 LYS B 7 -13.733 18.175 8.944 1.00 15.29 H new ATOM 0 HE3 LYS B 7 -14.863 17.135 9.215 1.00 15.29 H new ATOM 0 HZ1 LYS B 7 -15.144 18.908 10.619 1.00 11.09 H new ATOM 0 HZ2 LYS B 7 -14.805 17.768 11.453 1.00 11.09 H new ATOM 0 HZ3 LYS B 7 -13.801 18.777 11.158 1.00 11.09 H new ATOM 875 N LYS B 8 -13.860 11.990 8.474 1.00 8.13 N ATOM 876 CA LYS B 8 -13.431 10.817 9.227 1.00 8.61 C ATOM 877 C LYS B 8 -12.956 9.724 8.281 1.00 10.03 C ATOM 878 O LYS B 8 -11.922 9.101 8.507 1.00 12.14 O ATOM 879 CB LYS B 8 -14.565 10.287 10.103 1.00 9.29 C ATOM 880 CG LYS B 8 -14.170 9.054 10.900 1.00 11.51 C ATOM 881 CD LYS B 8 -15.204 8.682 11.956 1.00 14.02 C ATOM 882 CE LYS B 8 -14.816 7.385 12.659 1.00 16.94 C ATOM 883 NZ LYS B 8 -15.799 6.965 13.698 1.00 20.71 N ATOM 0 H LYS B 8 -14.700 12.164 8.531 1.00 8.13 H new ATOM 0 HA LYS B 8 -12.695 11.082 9.801 1.00 8.61 H new ATOM 0 HB2 LYS B 8 -14.848 10.985 10.714 1.00 9.29 H new ATOM 0 HB3 LYS B 8 -15.328 10.074 9.543 1.00 9.29 H new ATOM 0 HG2 LYS B 8 -14.049 8.307 10.294 1.00 11.51 H new ATOM 0 HG3 LYS B 8 -13.315 9.212 11.331 1.00 11.51 H new ATOM 0 HD2 LYS B 8 -15.280 9.397 12.607 1.00 14.02 H new ATOM 0 HD3 LYS B 8 -16.075 8.582 11.541 1.00 14.02 H new ATOM 0 HE2 LYS B 8 -14.730 6.679 11.999 1.00 16.94 H new ATOM 0 HE3 LYS B 8 -13.945 7.495 13.072 1.00 16.94 H new ATOM 0 HZ1 LYS B 8 -15.460 6.293 14.173 1.00 20.71 H new ATOM 0 HZ2 LYS B 8 -15.973 7.651 14.237 1.00 20.71 H new ATOM 0 HZ3 LYS B 8 -16.552 6.699 13.305 1.00 20.71 H new ATOM 884 N ILE B 9 -13.709 9.487 7.217 1.00 8.67 N ATOM 885 CA ILE B 9 -13.304 8.475 6.257 1.00 8.75 C ATOM 886 C ILE B 9 -11.917 8.813 5.729 1.00 10.21 C ATOM 887 O ILE B 9 -11.011 7.967 5.727 1.00 11.49 O ATOM 888 CB ILE B 9 -14.267 8.409 5.067 1.00 8.26 C ATOM 889 CG1 ILE B 9 -15.627 7.867 5.523 1.00 8.20 C ATOM 890 CG2 ILE B 9 -13.667 7.553 3.973 1.00 8.58 C ATOM 891 CD1 ILE B 9 -16.652 7.819 4.429 1.00 5.03 C ATOM 0 H ILE B 9 -14.445 9.893 7.035 1.00 8.67 H new ATOM 0 HA ILE B 9 -13.308 7.617 6.710 1.00 8.75 H new ATOM 0 HB ILE B 9 -14.407 9.300 4.710 1.00 8.26 H new ATOM 0 HG12 ILE B 9 -15.507 6.974 5.883 1.00 8.20 H new ATOM 0 HG13 ILE B 9 -15.962 8.421 6.245 1.00 8.20 H new ATOM 0 HG21 ILE B 9 -14.279 7.513 3.221 1.00 8.58 H new ATOM 0 HG22 ILE B 9 -12.825 7.939 3.684 1.00 8.58 H new ATOM 0 HG23 ILE B 9 -13.512 6.657 4.311 1.00 8.58 H new ATOM 0 HD11 ILE B 9 -17.485 7.469 4.781 1.00 5.03 H new ATOM 0 HD12 ILE B 9 -16.798 8.713 4.083 1.00 5.03 H new ATOM 0 HD13 ILE B 9 -16.336 7.244 3.714 1.00 5.03 H new ATOM 892 N PHE B 10 -11.747 10.055 5.289 1.00 8.98 N ATOM 893 CA PHE B 10 -10.466 10.483 4.748 1.00 9.55 C ATOM 894 C PHE B 10 -9.322 10.176 5.705 1.00 12.11 C ATOM 895 O PHE B 10 -8.343 9.533 5.326 1.00 11.85 O ATOM 896 CB PHE B 10 -10.459 11.987 4.443 1.00 7.63 C ATOM 897 CG PHE B 10 -9.158 12.465 3.866 1.00 6.61 C ATOM 898 CD1 PHE B 10 -8.864 12.258 2.521 1.00 7.10 C ATOM 899 CD2 PHE B 10 -8.178 13.022 4.690 1.00 9.11 C ATOM 900 CE1 PHE B 10 -7.615 12.586 1.998 1.00 7.50 C ATOM 901 CE2 PHE B 10 -6.922 13.357 4.182 1.00 7.14 C ATOM 902 CZ PHE B 10 -6.640 13.135 2.832 1.00 9.93 C ATOM 0 H PHE B 10 -12.357 10.661 5.295 1.00 8.98 H new ATOM 0 HA PHE B 10 -10.338 9.986 3.925 1.00 9.55 H new ATOM 0 HB2 PHE B 10 -11.176 12.189 3.821 1.00 7.63 H new ATOM 0 HB3 PHE B 10 -10.644 12.478 5.259 1.00 7.63 H new ATOM 0 HD1 PHE B 10 -9.512 11.895 1.962 1.00 7.10 H new ATOM 0 HD2 PHE B 10 -8.365 13.172 5.589 1.00 9.11 H new ATOM 0 HE1 PHE B 10 -7.432 12.440 1.098 1.00 7.50 H new ATOM 0 HE2 PHE B 10 -6.276 13.726 4.740 1.00 7.14 H new ATOM 0 HZ PHE B 10 -5.803 13.353 2.489 1.00 9.93 H new ATOM 903 N VAL B 11 -9.453 10.640 6.947 1.00 12.77 N ATOM 904 CA VAL B 11 -8.418 10.435 7.949 1.00 14.51 C ATOM 905 C VAL B 11 -8.119 8.968 8.250 1.00 14.27 C ATOM 906 O VAL B 11 -6.973 8.604 8.500 1.00 13.78 O ATOM 907 CB VAL B 11 -8.775 11.164 9.274 1.00 17.40 C ATOM 908 CG1 VAL B 11 -10.110 10.687 9.786 1.00 19.75 C ATOM 909 CG2 VAL B 11 -7.696 10.924 10.322 1.00 16.40 C ATOM 0 H VAL B 11 -10.138 11.078 7.227 1.00 12.77 H new ATOM 0 HA VAL B 11 -7.614 10.813 7.559 1.00 14.51 H new ATOM 0 HB VAL B 11 -8.828 12.116 9.097 1.00 17.40 H new ATOM 0 HG11 VAL B 11 -10.323 11.148 10.613 1.00 19.75 H new ATOM 0 HG12 VAL B 11 -10.796 10.874 9.126 1.00 19.75 H new ATOM 0 HG13 VAL B 11 -10.071 9.732 9.950 1.00 19.75 H new ATOM 0 HG21 VAL B 11 -7.933 11.385 11.142 1.00 16.40 H new ATOM 0 HG22 VAL B 11 -7.620 9.973 10.496 1.00 16.40 H new ATOM 0 HG23 VAL B 11 -6.847 11.261 9.996 1.00 16.40 H new ATOM 910 N GLN B 12 -9.138 8.119 8.212 1.00 14.22 N ATOM 911 CA GLN B 12 -8.927 6.707 8.509 1.00 15.36 C ATOM 912 C GLN B 12 -8.506 5.882 7.301 1.00 13.82 C ATOM 913 O GLN B 12 -7.840 4.860 7.452 1.00 16.48 O ATOM 914 CB GLN B 12 -10.194 6.092 9.117 1.00 16.43 C ATOM 915 CG GLN B 12 -10.796 6.915 10.246 1.00 19.75 C ATOM 916 CD GLN B 12 -11.825 6.145 11.056 1.00 21.98 C ATOM 917 OE1 GLN B 12 -12.740 5.534 10.500 1.00 23.47 O ATOM 918 NE2 GLN B 12 -11.683 6.179 12.382 1.00 20.26 N ATOM 0 H GLN B 12 -9.948 8.334 8.020 1.00 14.22 H new ATOM 0 HA GLN B 12 -8.194 6.680 9.144 1.00 15.36 H new ATOM 0 HB2 GLN B 12 -10.858 5.983 8.418 1.00 16.43 H new ATOM 0 HB3 GLN B 12 -9.985 5.205 9.450 1.00 16.43 H new ATOM 0 HG2 GLN B 12 -10.086 7.215 10.835 1.00 19.75 H new ATOM 0 HG3 GLN B 12 -11.212 7.709 9.875 1.00 19.75 H new ATOM 0 HE21 GLN B 12 -11.031 6.616 12.734 1.00 20.26 H new ATOM 0 HE22 GLN B 12 -12.243 5.764 12.885 1.00 20.26 H new ATOM 919 N LYS B 13 -8.874 6.320 6.104 1.00 12.61 N ATOM 920 CA LYS B 13 -8.536 5.556 4.907 1.00 12.19 C ATOM 921 C LYS B 13 -7.567 6.215 3.934 1.00 10.44 C ATOM 922 O LYS B 13 -7.000 5.536 3.086 1.00 10.45 O ATOM 923 CB LYS B 13 -9.810 5.200 4.127 1.00 10.94 C ATOM 924 CG LYS B 13 -10.796 4.312 4.858 1.00 12.86 C ATOM 925 CD LYS B 13 -10.304 2.885 4.962 1.00 14.70 C ATOM 926 CE LYS B 13 -11.390 1.983 5.526 1.00 17.91 C ATOM 927 NZ LYS B 13 -12.620 1.996 4.662 1.00 20.93 N ATOM 0 H LYS B 13 -9.313 7.046 5.962 1.00 12.61 H new ATOM 0 HA LYS B 13 -8.078 4.776 5.259 1.00 12.19 H new ATOM 0 HB2 LYS B 13 -10.261 6.023 3.881 1.00 10.94 H new ATOM 0 HB3 LYS B 13 -9.553 4.760 3.302 1.00 10.94 H new ATOM 0 HG2 LYS B 13 -10.951 4.666 5.748 1.00 12.86 H new ATOM 0 HG3 LYS B 13 -11.648 4.327 4.395 1.00 12.86 H new ATOM 0 HD2 LYS B 13 -10.034 2.566 4.086 1.00 14.70 H new ATOM 0 HD3 LYS B 13 -9.519 2.849 5.531 1.00 14.70 H new ATOM 0 HE2 LYS B 13 -11.054 1.076 5.599 1.00 17.91 H new ATOM 0 HE3 LYS B 13 -11.620 2.273 6.423 1.00 17.91 H new ATOM 0 HZ1 LYS B 13 -13.096 1.259 4.811 1.00 20.93 H new ATOM 0 HZ2 LYS B 13 -13.113 2.711 4.857 1.00 20.93 H new ATOM 0 HZ3 LYS B 13 -12.381 2.026 3.805 1.00 20.93 H new ATOM 928 N CYS B 14 -7.352 7.518 4.053 1.00 9.05 N ATOM 929 CA CYS B 14 -6.489 8.191 3.086 1.00 9.25 C ATOM 930 C CYS B 14 -5.338 9.014 3.630 1.00 9.99 C ATOM 931 O CYS B 14 -4.254 9.024 3.046 1.00 10.78 O ATOM 932 CB CYS B 14 -7.337 9.109 2.202 1.00 8.47 C ATOM 933 SG CYS B 14 -8.947 8.416 1.731 1.00 12.95 S ATOM 0 H CYS B 14 -7.684 8.021 4.667 1.00 9.05 H new ATOM 0 HA CYS B 14 -6.073 7.456 2.608 1.00 9.25 H new ATOM 0 HB2 CYS B 14 -7.482 9.947 2.669 1.00 8.47 H new ATOM 0 HB3 CYS B 14 -6.838 9.316 1.396 1.00 8.47 H new ATOM 934 N ALA B 15 -5.581 9.725 4.725 1.00 9.59 N ATOM 935 CA ALA B 15 -4.568 10.594 5.304 1.00 12.46 C ATOM 936 C ALA B 15 -3.168 9.982 5.417 1.00 14.92 C ATOM 937 O ALA B 15 -2.173 10.689 5.289 1.00 16.03 O ATOM 938 CB ALA B 15 -5.039 11.093 6.666 1.00 12.68 C ATOM 0 H ALA B 15 -6.329 9.717 5.149 1.00 9.59 H new ATOM 0 HA ALA B 15 -4.468 11.329 4.679 1.00 12.46 H new ATOM 0 HB1 ALA B 15 -4.362 11.672 7.050 1.00 12.68 H new ATOM 0 HB2 ALA B 15 -5.866 11.588 6.561 1.00 12.68 H new ATOM 0 HB3 ALA B 15 -5.188 10.336 7.254 1.00 12.68 H new ATOM 939 N GLN B 16 -3.079 8.676 5.640 1.00 16.08 N ATOM 940 CA GLN B 16 -1.772 8.052 5.782 1.00 17.87 C ATOM 941 C GLN B 16 -0.841 8.222 4.579 1.00 17.91 C ATOM 942 O GLN B 16 0.381 8.165 4.737 1.00 18.13 O ATOM 943 CB GLN B 16 -1.912 6.564 6.137 1.00 19.02 C ATOM 944 CG GLN B 16 -2.990 5.798 5.383 1.00 22.37 C ATOM 945 CD GLN B 16 -4.386 6.019 5.954 1.00 23.42 C ATOM 946 OE1 GLN B 16 -5.324 5.312 5.592 1.00 25.34 O ATOM 947 NE2 GLN B 16 -4.529 6.998 6.844 1.00 19.34 N ATOM 0 H GLN B 16 -3.750 8.143 5.711 1.00 16.08 H new ATOM 0 HA GLN B 16 -1.347 8.531 6.510 1.00 17.87 H new ATOM 0 HB2 GLN B 16 -1.060 6.130 5.977 1.00 19.02 H new ATOM 0 HB3 GLN B 16 -2.093 6.492 7.087 1.00 19.02 H new ATOM 0 HG2 GLN B 16 -2.980 6.068 4.451 1.00 22.37 H new ATOM 0 HG3 GLN B 16 -2.783 4.851 5.406 1.00 22.37 H new ATOM 0 HE21 GLN B 16 -3.850 7.473 7.074 1.00 19.34 H new ATOM 0 HE22 GLN B 16 -5.301 7.156 7.189 1.00 19.34 H new ATOM 948 N CYS B 17 -1.406 8.438 3.391 1.00 16.91 N ATOM 949 CA CYS B 17 -0.601 8.626 2.177 1.00 13.97 C ATOM 950 C CYS B 17 -0.882 9.962 1.489 1.00 13.51 C ATOM 951 O CYS B 17 -0.123 10.382 0.609 1.00 11.55 O ATOM 952 CB CYS B 17 -0.874 7.511 1.160 1.00 15.35 C ATOM 953 SG CYS B 17 -0.529 5.811 1.725 1.00 19.14 S ATOM 0 H CYS B 17 -2.256 8.480 3.264 1.00 16.91 H new ATOM 0 HA CYS B 17 0.324 8.607 2.468 1.00 13.97 H new ATOM 0 HB2 CYS B 17 -1.805 7.562 0.894 1.00 15.35 H new ATOM 0 HB3 CYS B 17 -0.342 7.683 0.367 1.00 15.35 H new ATOM 954 N HIS B 18 -1.969 10.622 1.885 1.00 9.66 N ATOM 955 CA HIS B 18 -2.356 11.886 1.269 1.00 9.36 C ATOM 956 C HIS B 18 -2.631 13.002 2.268 1.00 8.28 C ATOM 957 O HIS B 18 -3.187 12.768 3.343 1.00 7.94 O ATOM 958 CB HIS B 18 -3.645 11.713 0.443 1.00 10.49 C ATOM 959 CG HIS B 18 -3.520 10.809 -0.747 1.00 11.26 C ATOM 960 ND1 HIS B 18 -2.875 11.186 -1.905 1.00 11.85 N ATOM 961 CD2 HIS B 18 -4.046 9.584 -0.991 1.00 9.45 C ATOM 962 CE1 HIS B 18 -3.015 10.235 -2.813 1.00 13.46 C ATOM 963 NE2 HIS B 18 -3.723 9.253 -2.284 1.00 13.18 N ATOM 0 H HIS B 18 -2.495 10.353 2.510 1.00 9.66 H new ATOM 0 HA HIS B 18 -1.596 12.135 0.721 1.00 9.36 H new ATOM 0 HB2 HIS B 18 -4.341 11.367 1.023 1.00 10.49 H new ATOM 0 HB3 HIS B 18 -3.938 12.586 0.139 1.00 10.49 H new ATOM 0 HD1 HIS B 18 -2.448 11.924 -2.019 1.00 11.85 H new ATOM 0 HD2 HIS B 18 -4.535 9.064 -0.394 1.00 9.45 H new ATOM 0 HE1 HIS B 18 -2.673 10.254 -3.678 1.00 13.46 H new ATOM 964 N THR B 19 -2.252 14.215 1.879 1.00 7.98 N ATOM 965 CA THR B 19 -2.497 15.430 2.649 1.00 8.44 C ATOM 966 C THR B 19 -3.311 16.273 1.671 1.00 8.99 C ATOM 967 O THR B 19 -3.059 16.226 0.465 1.00 10.74 O ATOM 968 CB THR B 19 -1.203 16.200 2.981 1.00 10.20 C ATOM 969 OG1 THR B 19 -0.520 16.529 1.764 1.00 10.96 O ATOM 970 CG2 THR B 19 -0.295 15.372 3.877 1.00 8.73 C ATOM 0 H THR B 19 -1.834 14.358 1.141 1.00 7.98 H new ATOM 0 HA THR B 19 -2.920 15.235 3.500 1.00 8.44 H new ATOM 0 HB THR B 19 -1.437 17.013 3.455 1.00 10.20 H new ATOM 0 HG1 THR B 19 0.144 16.023 1.670 1.00 10.96 H new ATOM 0 HG21 THR B 19 0.511 15.874 4.073 1.00 8.73 H new ATOM 0 HG22 THR B 19 -0.757 15.167 4.705 1.00 8.73 H new ATOM 0 HG23 THR B 19 -0.060 14.547 3.425 1.00 8.73 H new ATOM 971 N VAL B 20 -4.281 17.032 2.177 1.00 9.74 N ATOM 972 CA VAL B 20 -5.124 17.853 1.319 1.00 9.04 C ATOM 973 C VAL B 20 -4.967 19.368 1.477 1.00 10.62 C ATOM 974 O VAL B 20 -5.480 20.125 0.657 1.00 10.55 O ATOM 975 CB VAL B 20 -6.624 17.501 1.510 1.00 7.78 C ATOM 976 CG1 VAL B 20 -6.885 16.067 1.078 1.00 9.09 C ATOM 977 CG2 VAL B 20 -7.031 17.696 2.947 1.00 6.45 C ATOM 0 H VAL B 20 -4.465 17.084 3.015 1.00 9.74 H new ATOM 0 HA VAL B 20 -4.812 17.635 0.427 1.00 9.04 H new ATOM 0 HB VAL B 20 -7.155 18.095 0.957 1.00 7.78 H new ATOM 0 HG11 VAL B 20 -7.824 15.858 1.201 1.00 9.09 H new ATOM 0 HG12 VAL B 20 -6.651 15.963 0.142 1.00 9.09 H new ATOM 0 HG13 VAL B 20 -6.347 15.464 1.614 1.00 9.09 H new ATOM 0 HG21 VAL B 20 -7.969 17.473 3.051 1.00 6.45 H new ATOM 0 HG22 VAL B 20 -6.497 17.120 3.516 1.00 6.45 H new ATOM 0 HG23 VAL B 20 -6.889 18.621 3.201 1.00 6.45 H new ATOM 978 N GLU B 21 -4.262 19.818 2.513 1.00 12.20 N ATOM 979 CA GLU B 21 -4.085 21.259 2.740 1.00 12.76 C ATOM 980 C GLU B 21 -3.235 21.919 1.659 1.00 13.44 C ATOM 981 O GLU B 21 -2.323 21.304 1.112 1.00 13.09 O ATOM 982 CB GLU B 21 -3.427 21.526 4.102 1.00 11.16 C ATOM 983 CG GLU B 21 -4.251 21.148 5.341 1.00 11.91 C ATOM 984 CD GLU B 21 -4.476 19.645 5.483 1.00 12.11 C ATOM 985 OE1 GLU B 21 -3.563 18.865 5.145 1.00 11.25 O ATOM 986 OE2 GLU B 21 -5.563 19.246 5.949 1.00 15.43 O ATOM 0 H GLU B 21 -3.879 19.313 3.094 1.00 12.20 H new ATOM 0 HA GLU B 21 -4.975 21.644 2.716 1.00 12.76 H new ATOM 0 HB2 GLU B 21 -2.588 21.041 4.135 1.00 11.16 H new ATOM 0 HB3 GLU B 21 -3.211 22.470 4.156 1.00 11.16 H new ATOM 0 HG2 GLU B 21 -3.800 21.477 6.134 1.00 11.91 H new ATOM 0 HG3 GLU B 21 -5.111 21.595 5.298 1.00 11.91 H new ATOM 987 N LYS B 22 -3.533 23.177 1.358 1.00 15.37 N ATOM 988 CA LYS B 22 -2.771 23.917 0.355 1.00 15.79 C ATOM 989 C LYS B 22 -1.326 23.987 0.843 1.00 15.67 C ATOM 990 O LYS B 22 -1.074 24.320 1.999 1.00 17.23 O ATOM 991 CB LYS B 22 -3.334 25.328 0.213 1.00 18.29 C ATOM 992 CG LYS B 22 -2.719 26.135 -0.917 1.00 21.57 C ATOM 993 CD LYS B 22 -2.982 27.627 -0.740 1.00 23.70 C ATOM 994 CE LYS B 22 -4.472 27.935 -0.582 1.00 27.24 C ATOM 995 NZ LYS B 22 -5.283 27.484 -1.753 1.00 27.22 N ATOM 0 H LYS B 22 -4.172 23.622 1.722 1.00 15.37 H new ATOM 0 HA LYS B 22 -2.824 23.478 -0.508 1.00 15.79 H new ATOM 0 HB2 LYS B 22 -4.292 25.270 0.071 1.00 18.29 H new ATOM 0 HB3 LYS B 22 -3.199 25.804 1.047 1.00 18.29 H new ATOM 0 HG2 LYS B 22 -1.763 25.975 -0.949 1.00 21.57 H new ATOM 0 HG3 LYS B 22 -3.085 25.838 -1.765 1.00 21.57 H new ATOM 0 HD2 LYS B 22 -2.502 27.948 0.039 1.00 23.70 H new ATOM 0 HD3 LYS B 22 -2.633 28.109 -1.506 1.00 23.70 H new ATOM 0 HE2 LYS B 22 -4.804 27.504 0.221 1.00 27.24 H new ATOM 0 HE3 LYS B 22 -4.590 28.890 -0.461 1.00 27.24 H new ATOM 0 HZ1 LYS B 22 -6.100 27.833 -1.700 1.00 27.22 H new ATOM 0 HZ2 LYS B 22 -4.893 27.755 -2.506 1.00 27.22 H new ATOM 0 HZ3 LYS B 22 -5.339 26.596 -1.751 1.00 27.22 H new ATOM 996 N GLY B 23 -0.373 23.680 -0.028 1.00 15.32 N ATOM 997 CA GLY B 23 1.015 23.709 0.394 1.00 12.74 C ATOM 998 C GLY B 23 1.322 22.452 1.189 1.00 14.30 C ATOM 999 O GLY B 23 2.359 22.346 1.843 1.00 13.75 O ATOM 0 H GLY B 23 -0.506 23.458 -0.848 1.00 15.32 H new ATOM 0 HA2 GLY B 23 1.598 23.766 -0.379 1.00 12.74 H new ATOM 0 HA3 GLY B 23 1.183 24.496 0.935 1.00 12.74 H new ATOM 1000 N GLY B 24 0.398 21.497 1.135 1.00 13.99 N ATOM 1001 CA GLY B 24 0.578 20.247 1.844 1.00 14.70 C ATOM 1002 C GLY B 24 1.792 19.534 1.292 1.00 16.13 C ATOM 1003 O GLY B 24 2.350 19.957 0.284 1.00 14.03 O ATOM 0 H GLY B 24 -0.337 21.558 0.693 1.00 13.99 H new ATOM 0 HA2 GLY B 24 0.691 20.414 2.793 1.00 14.70 H new ATOM 0 HA3 GLY B 24 -0.210 19.690 1.746 1.00 14.70 H new ATOM 1004 N LYS B 25 2.206 18.459 1.951 1.00 16.99 N ATOM 1005 CA LYS B 25 3.366 17.701 1.507 1.00 20.41 C ATOM 1006 C LYS B 25 2.943 16.423 0.808 1.00 19.12 C ATOM 1007 O LYS B 25 1.825 15.943 0.984 1.00 19.64 O ATOM 1008 CB LYS B 25 4.262 17.338 2.704 1.00 22.39 C ATOM 1009 CG LYS B 25 4.936 18.529 3.379 1.00 27.15 C ATOM 1010 CD LYS B 25 5.571 18.153 4.720 1.00 29.27 C ATOM 1011 CE LYS B 25 6.672 17.110 4.575 1.00 30.76 C ATOM 1012 NZ LYS B 25 7.844 17.624 3.808 1.00 33.76 N ATOM 0 H LYS B 25 1.828 18.152 2.659 1.00 16.99 H new ATOM 0 HA LYS B 25 3.859 18.258 0.885 1.00 20.41 H new ATOM 0 HB2 LYS B 25 3.727 16.869 3.363 1.00 22.39 H new ATOM 0 HB3 LYS B 25 4.948 16.721 2.404 1.00 22.39 H new ATOM 0 HG2 LYS B 25 5.618 18.889 2.790 1.00 27.15 H new ATOM 0 HG3 LYS B 25 4.282 19.232 3.519 1.00 27.15 H new ATOM 0 HD2 LYS B 25 5.937 18.949 5.135 1.00 29.27 H new ATOM 0 HD3 LYS B 25 4.885 17.813 5.315 1.00 29.27 H new ATOM 0 HE2 LYS B 25 6.964 16.827 5.456 1.00 30.76 H new ATOM 0 HE3 LYS B 25 6.315 16.326 4.129 1.00 30.76 H new ATOM 0 HZ1 LYS B 25 8.485 17.007 3.796 1.00 33.76 H new ATOM 0 HZ2 LYS B 25 7.595 17.809 2.974 1.00 33.76 H new ATOM 0 HZ3 LYS B 25 8.152 18.363 4.196 1.00 33.76 H new ATOM 1013 N HIS B 26 3.839 15.879 -0.001 1.00 17.80 N ATOM 1014 CA HIS B 26 3.560 14.624 -0.670 1.00 17.74 C ATOM 1015 C HIS B 26 4.016 13.544 0.312 1.00 17.06 C ATOM 1016 O HIS B 26 5.043 13.698 0.966 1.00 16.69 O ATOM 1017 CB HIS B 26 4.379 14.491 -1.957 1.00 17.28 C ATOM 1018 CG HIS B 26 4.022 15.481 -3.020 1.00 18.94 C ATOM 1019 ND1 HIS B 26 2.727 15.679 -3.452 1.00 18.17 N ATOM 1020 CD2 HIS B 26 4.798 16.299 -3.771 1.00 18.50 C ATOM 1021 CE1 HIS B 26 2.722 16.576 -4.423 1.00 18.90 C ATOM 1022 NE2 HIS B 26 3.966 16.968 -4.635 1.00 18.79 N ATOM 0 H HIS B 26 4.610 16.219 -0.174 1.00 17.80 H new ATOM 0 HA HIS B 26 2.623 14.557 -0.911 1.00 17.74 H new ATOM 0 HB2 HIS B 26 5.319 14.590 -1.741 1.00 17.28 H new ATOM 0 HB3 HIS B 26 4.262 13.596 -2.311 1.00 17.28 H new ATOM 0 HD2 HIS B 26 5.722 16.390 -3.712 1.00 18.50 H new ATOM 0 HE1 HIS B 26 1.971 16.880 -4.879 1.00 18.90 H new ATOM 0 HE2 HIS B 26 4.214 17.548 -5.219 1.00 18.79 H new ATOM 1023 N LYS B 27 3.248 12.473 0.437 1.00 17.61 N ATOM 1024 CA LYS B 27 3.629 11.366 1.312 1.00 19.93 C ATOM 1025 C LYS B 27 3.869 10.192 0.366 1.00 20.37 C ATOM 1026 O LYS B 27 4.589 10.322 -0.629 1.00 20.94 O ATOM 1027 CB LYS B 27 2.497 11.024 2.284 1.00 20.45 C ATOM 1028 CG LYS B 27 2.243 12.049 3.379 1.00 21.19 C ATOM 1029 CD LYS B 27 0.965 11.688 4.134 1.00 22.83 C ATOM 1030 CE LYS B 27 0.856 12.407 5.458 1.00 21.53 C ATOM 1031 NZ LYS B 27 1.887 11.905 6.404 1.00 23.74 N ATOM 0 H LYS B 27 2.501 12.364 0.025 1.00 17.61 H new ATOM 0 HA LYS B 27 4.406 11.583 1.850 1.00 19.93 H new ATOM 0 HB2 LYS B 27 1.679 10.907 1.776 1.00 20.45 H new ATOM 0 HB3 LYS B 27 2.696 10.171 2.701 1.00 20.45 H new ATOM 0 HG2 LYS B 27 2.995 12.074 3.991 1.00 21.19 H new ATOM 0 HG3 LYS B 27 2.162 12.935 2.993 1.00 21.19 H new ATOM 0 HD2 LYS B 27 0.195 11.907 3.586 1.00 22.83 H new ATOM 0 HD3 LYS B 27 0.942 10.730 4.286 1.00 22.83 H new ATOM 0 HE2 LYS B 27 0.967 13.361 5.325 1.00 21.53 H new ATOM 0 HE3 LYS B 27 -0.028 12.274 5.833 1.00 21.53 H new ATOM 0 HZ1 LYS B 27 1.661 12.129 7.235 1.00 23.74 H new ATOM 0 HZ2 LYS B 27 1.943 11.019 6.340 1.00 23.74 H new ATOM 0 HZ3 LYS B 27 2.675 12.267 6.204 1.00 23.74 H new ATOM 1032 N THR B 28 3.273 9.046 0.667 1.00 20.85 N ATOM 1033 CA THR B 28 3.422 7.907 -0.219 1.00 20.73 C ATOM 1034 C THR B 28 2.628 8.310 -1.454 1.00 19.93 C ATOM 1035 O THR B 28 2.903 7.867 -2.569 1.00 20.13 O ATOM 1036 CB THR B 28 2.832 6.641 0.400 1.00 21.21 C ATOM 1037 OG1 THR B 28 3.637 6.247 1.517 1.00 25.05 O ATOM 1038 CG2 THR B 28 2.801 5.516 -0.612 1.00 23.55 C ATOM 0 H THR B 28 2.788 8.910 1.364 1.00 20.85 H new ATOM 0 HA THR B 28 4.352 7.704 -0.407 1.00 20.73 H new ATOM 0 HB THR B 28 1.924 6.827 0.687 1.00 21.21 H new ATOM 0 HG1 THR B 28 3.920 6.931 1.914 1.00 25.05 H new ATOM 0 HG21 THR B 28 2.424 4.722 -0.202 1.00 23.55 H new ATOM 0 HG22 THR B 28 2.256 5.778 -1.370 1.00 23.55 H new ATOM 0 HG23 THR B 28 3.703 5.326 -0.913 1.00 23.55 H new ATOM 1039 N GLY B 29 1.644 9.175 -1.231 1.00 16.77 N ATOM 1040 CA GLY B 29 0.818 9.670 -2.311 1.00 15.26 C ATOM 1041 C GLY B 29 0.981 11.175 -2.392 1.00 14.74 C ATOM 1042 O GLY B 29 1.521 11.792 -1.465 1.00 14.22 O ATOM 0 H GLY B 29 1.442 9.486 -0.455 1.00 16.77 H new ATOM 0 HA2 GLY B 29 1.077 9.257 -3.150 1.00 15.26 H new ATOM 0 HA3 GLY B 29 -0.112 9.440 -2.157 1.00 15.26 H new ATOM 1043 N PRO B 30 0.528 11.805 -3.485 1.00 13.84 N ATOM 1044 CA PRO B 30 0.654 13.258 -3.635 1.00 12.17 C ATOM 1045 C PRO B 30 -0.385 14.075 -2.883 1.00 10.31 C ATOM 1046 O PRO B 30 -1.485 13.604 -2.603 1.00 8.33 O ATOM 1047 CB PRO B 30 0.521 13.451 -5.137 1.00 11.55 C ATOM 1048 CG PRO B 30 -0.507 12.416 -5.486 1.00 11.95 C ATOM 1049 CD PRO B 30 -0.015 11.200 -4.716 1.00 14.01 C ATOM 0 HA PRO B 30 1.488 13.576 -3.254 1.00 12.17 H new ATOM 0 HB2 PRO B 30 0.228 14.347 -5.365 1.00 11.55 H new ATOM 0 HB3 PRO B 30 1.360 13.301 -5.599 1.00 11.55 H new ATOM 0 HG2 PRO B 30 -1.398 12.683 -5.210 1.00 11.95 H new ATOM 0 HG3 PRO B 30 -0.544 12.250 -6.441 1.00 11.95 H new ATOM 0 HD2 PRO B 30 -0.734 10.577 -4.526 1.00 14.01 H new ATOM 0 HD3 PRO B 30 0.663 10.710 -5.208 1.00 14.01 H new ATOM 1050 N ASN B 31 -0.020 15.308 -2.559 1.00 11.46 N ATOM 1051 CA ASN B 31 -0.938 16.222 -1.898 1.00 11.96 C ATOM 1052 C ASN B 31 -2.100 16.371 -2.894 1.00 12.46 C ATOM 1053 O ASN B 31 -1.872 16.406 -4.110 1.00 10.21 O ATOM 1054 CB ASN B 31 -0.234 17.560 -1.652 1.00 11.61 C ATOM 1055 CG ASN B 31 -1.201 18.700 -1.436 1.00 12.66 C ATOM 1056 OD1 ASN B 31 -1.552 19.415 -2.375 1.00 12.02 O ATOM 1057 ND2 ASN B 31 -1.652 18.871 -0.195 1.00 13.57 N ATOM 0 H ASN B 31 0.760 15.636 -2.714 1.00 11.46 H new ATOM 0 HA ASN B 31 -1.246 15.908 -1.033 1.00 11.96 H new ATOM 0 HB2 ASN B 31 0.343 17.479 -0.876 1.00 11.61 H new ATOM 0 HB3 ASN B 31 0.336 17.765 -2.409 1.00 11.61 H new ATOM 0 HD21 ASN B 31 -2.212 19.501 -0.024 1.00 13.57 H new ATOM 0 HD22 ASN B 31 -1.384 18.351 0.435 1.00 13.57 H new ATOM 1058 N LEU B 32 -3.334 16.452 -2.393 1.00 11.19 N ATOM 1059 CA LEU B 32 -4.496 16.543 -3.277 1.00 8.85 C ATOM 1060 C LEU B 32 -5.153 17.922 -3.418 1.00 9.72 C ATOM 1061 O LEU B 32 -6.234 18.044 -4.006 1.00 9.11 O ATOM 1062 CB LEU B 32 -5.547 15.517 -2.840 1.00 6.69 C ATOM 1063 CG LEU B 32 -5.038 14.085 -2.626 1.00 6.90 C ATOM 1064 CD1 LEU B 32 -6.146 13.235 -2.048 1.00 4.67 C ATOM 1065 CD2 LEU B 32 -4.547 13.500 -3.947 1.00 8.06 C ATOM 0 H LEU B 32 -3.518 16.456 -1.553 1.00 11.19 H new ATOM 0 HA LEU B 32 -4.142 16.358 -4.161 1.00 8.85 H new ATOM 0 HB2 LEU B 32 -5.950 15.825 -2.013 1.00 6.69 H new ATOM 0 HB3 LEU B 32 -6.250 15.495 -3.508 1.00 6.69 H new ATOM 0 HG LEU B 32 -4.295 14.098 -2.003 1.00 6.90 H new ATOM 0 HD11 LEU B 32 -5.823 12.330 -1.913 1.00 4.67 H new ATOM 0 HD12 LEU B 32 -6.429 13.607 -1.198 1.00 4.67 H new ATOM 0 HD13 LEU B 32 -6.897 13.222 -2.661 1.00 4.67 H new ATOM 0 HD21 LEU B 32 -4.228 12.596 -3.802 1.00 8.06 H new ATOM 0 HD22 LEU B 32 -5.277 13.486 -4.586 1.00 8.06 H new ATOM 0 HD23 LEU B 32 -3.824 14.046 -4.294 1.00 8.06 H new ATOM 1066 N HIS B 33 -4.509 18.957 -2.894 1.00 9.17 N ATOM 1067 CA HIS B 33 -5.064 20.305 -2.995 1.00 10.36 C ATOM 1068 C HIS B 33 -5.179 20.715 -4.468 1.00 11.75 C ATOM 1069 O HIS B 33 -4.263 20.474 -5.258 1.00 9.88 O ATOM 1070 CB HIS B 33 -4.175 21.313 -2.257 1.00 11.86 C ATOM 1071 CG HIS B 33 -4.843 22.632 -2.020 1.00 13.52 C ATOM 1072 ND1 HIS B 33 -5.756 22.830 -1.006 1.00 14.69 N ATOM 1073 CD2 HIS B 33 -4.797 23.792 -2.716 1.00 14.01 C ATOM 1074 CE1 HIS B 33 -6.248 24.053 -1.090 1.00 13.94 C ATOM 1075 NE2 HIS B 33 -5.683 24.657 -2.120 1.00 15.79 N ATOM 0 H HIS B 33 -3.757 18.904 -2.480 1.00 9.17 H new ATOM 0 HA HIS B 33 -5.944 20.303 -2.587 1.00 10.36 H new ATOM 0 HB2 HIS B 33 -3.908 20.935 -1.404 1.00 11.86 H new ATOM 0 HB3 HIS B 33 -3.364 21.456 -2.770 1.00 11.86 H new ATOM 0 HD1 HIS B 33 -5.972 22.248 -0.411 1.00 14.69 H new ATOM 0 HD2 HIS B 33 -4.266 23.970 -3.458 1.00 14.01 H new ATOM 0 HE1 HIS B 33 -6.883 24.425 -0.522 1.00 13.94 H new ATOM 1076 N GLY B 34 -6.307 21.323 -4.830 1.00 11.75 N ATOM 1077 CA GLY B 34 -6.517 21.754 -6.205 1.00 12.30 C ATOM 1078 C GLY B 34 -6.869 20.612 -7.144 1.00 12.84 C ATOM 1079 O GLY B 34 -6.835 20.765 -8.371 1.00 11.67 O ATOM 0 H GLY B 34 -6.959 21.494 -4.296 1.00 11.75 H new ATOM 0 HA2 GLY B 34 -7.228 22.413 -6.226 1.00 12.30 H new ATOM 0 HA3 GLY B 34 -5.714 22.193 -6.526 1.00 12.30 H new ATOM 1080 N LEU B 35 -7.218 19.465 -6.568 1.00 11.75 N ATOM 1081 CA LEU B 35 -7.565 18.279 -7.346 1.00 10.36 C ATOM 1082 C LEU B 35 -8.712 18.465 -8.353 1.00 9.62 C ATOM 1083 O LEU B 35 -8.576 18.103 -9.518 1.00 7.96 O ATOM 1084 CB LEU B 35 -7.911 17.128 -6.399 1.00 10.98 C ATOM 1085 CG LEU B 35 -8.326 15.797 -7.036 1.00 11.45 C ATOM 1086 CD1 LEU B 35 -7.109 15.104 -7.651 1.00 9.59 C ATOM 1087 CD2 LEU B 35 -8.962 14.904 -5.971 1.00 13.78 C ATOM 0 H LEU B 35 -7.260 19.352 -5.716 1.00 11.75 H new ATOM 0 HA LEU B 35 -6.778 18.085 -7.878 1.00 10.36 H new ATOM 0 HB2 LEU B 35 -7.141 16.963 -5.833 1.00 10.98 H new ATOM 0 HB3 LEU B 35 -8.632 17.422 -5.820 1.00 10.98 H new ATOM 0 HG LEU B 35 -8.971 15.965 -7.741 1.00 11.45 H new ATOM 0 HD11 LEU B 35 -7.383 14.264 -8.051 1.00 9.59 H new ATOM 0 HD12 LEU B 35 -6.721 15.675 -8.333 1.00 9.59 H new ATOM 0 HD13 LEU B 35 -6.450 14.933 -6.960 1.00 9.59 H new ATOM 0 HD21 LEU B 35 -9.226 14.061 -6.371 1.00 13.78 H new ATOM 0 HD22 LEU B 35 -8.321 14.739 -5.262 1.00 13.78 H new ATOM 0 HD23 LEU B 35 -9.744 15.345 -5.603 1.00 13.78 H new ATOM 1088 N PHE B 36 -9.832 19.024 -7.902 1.00 9.48 N ATOM 1089 CA PHE B 36 -11.010 19.227 -8.758 1.00 10.36 C ATOM 1090 C PHE B 36 -10.803 20.186 -9.938 1.00 10.38 C ATOM 1091 O PHE B 36 -10.143 21.217 -9.811 1.00 10.86 O ATOM 1092 CB PHE B 36 -12.208 19.711 -7.918 1.00 8.95 C ATOM 1093 CG PHE B 36 -12.742 18.679 -6.951 1.00 7.33 C ATOM 1094 CD1 PHE B 36 -11.964 18.226 -5.891 1.00 5.88 C ATOM 1095 CD2 PHE B 36 -14.024 18.161 -7.108 1.00 7.96 C ATOM 1096 CE1 PHE B 36 -12.455 17.266 -4.994 1.00 10.02 C ATOM 1097 CE2 PHE B 36 -14.531 17.203 -6.223 1.00 10.01 C ATOM 1098 CZ PHE B 36 -13.747 16.753 -5.162 1.00 8.84 C ATOM 0 H PHE B 36 -9.935 19.297 -7.093 1.00 9.48 H new ATOM 0 HA PHE B 36 -11.183 18.356 -9.148 1.00 10.36 H new ATOM 0 HB2 PHE B 36 -11.943 20.500 -7.420 1.00 8.95 H new ATOM 0 HB3 PHE B 36 -12.923 19.980 -8.516 1.00 8.95 H new ATOM 0 HD1 PHE B 36 -11.106 18.565 -5.775 1.00 5.88 H new ATOM 0 HD2 PHE B 36 -14.553 18.457 -7.813 1.00 7.96 H new ATOM 0 HE1 PHE B 36 -11.924 16.971 -4.290 1.00 10.02 H new ATOM 0 HE2 PHE B 36 -15.390 16.867 -6.343 1.00 10.01 H new ATOM 0 HZ PHE B 36 -14.079 16.117 -4.570 1.00 8.84 H new ATOM 1099 N GLY B 37 -11.376 19.829 -11.084 1.00 8.44 N ATOM 1100 CA GLY B 37 -11.261 20.655 -12.270 1.00 9.17 C ATOM 1101 C GLY B 37 -9.882 20.627 -12.899 1.00 9.80 C ATOM 1102 O GLY B 37 -9.517 21.524 -13.666 1.00 9.85 O ATOM 0 H GLY B 37 -11.836 19.110 -11.191 1.00 8.44 H new ATOM 0 HA2 GLY B 37 -11.913 20.360 -12.925 1.00 9.17 H new ATOM 0 HA3 GLY B 37 -11.485 21.570 -12.040 1.00 9.17 H new ATOM 1103 N ARG B 38 -9.116 19.593 -12.581 1.00 8.27 N ATOM 1104 CA ARG B 38 -7.767 19.443 -13.110 1.00 8.21 C ATOM 1105 C ARG B 38 -7.557 17.982 -13.498 1.00 9.26 C ATOM 1106 O ARG B 38 -8.022 17.072 -12.803 1.00 9.23 O ATOM 1107 CB ARG B 38 -6.750 19.859 -12.042 1.00 9.11 C ATOM 1108 CG ARG B 38 -5.297 19.876 -12.484 1.00 9.21 C ATOM 1109 CD ARG B 38 -4.393 20.221 -11.305 1.00 9.98 C ATOM 1110 NE ARG B 38 -4.466 19.201 -10.258 1.00 12.82 N ATOM 1111 CZ ARG B 38 -3.876 19.290 -9.065 1.00 12.80 C ATOM 1112 NH1 ARG B 38 -3.160 20.357 -8.742 1.00 8.33 N ATOM 1113 NH2 ARG B 38 -3.996 18.299 -8.192 1.00 11.92 N ATOM 0 H ARG B 38 -9.362 18.959 -12.054 1.00 8.27 H new ATOM 0 HA ARG B 38 -7.646 20.007 -13.890 1.00 8.21 H new ATOM 0 HB2 ARG B 38 -6.984 20.745 -11.724 1.00 9.11 H new ATOM 0 HB3 ARG B 38 -6.834 19.256 -11.287 1.00 9.11 H new ATOM 0 HG2 ARG B 38 -5.052 19.010 -12.846 1.00 9.21 H new ATOM 0 HG3 ARG B 38 -5.175 20.525 -13.194 1.00 9.21 H new ATOM 0 HD2 ARG B 38 -3.477 20.306 -11.612 1.00 9.98 H new ATOM 0 HD3 ARG B 38 -4.651 21.081 -10.939 1.00 9.98 H new ATOM 0 HE ARG B 38 -4.923 18.492 -10.424 1.00 12.82 H new ATOM 0 HH11 ARG B 38 -3.072 21.002 -9.304 1.00 8.33 H new ATOM 0 HH12 ARG B 38 -2.784 20.405 -7.970 1.00 8.33 H new ATOM 0 HH21 ARG B 38 -4.454 17.600 -8.395 1.00 11.92 H new ATOM 0 HH22 ARG B 38 -3.616 18.355 -7.423 1.00 11.92 H new ATOM 1114 N LYS B 39 -6.863 17.764 -14.610 1.00 9.95 N ATOM 1115 CA LYS B 39 -6.589 16.422 -15.106 1.00 12.24 C ATOM 1116 C LYS B 39 -5.748 15.625 -14.107 1.00 13.57 C ATOM 1117 O LYS B 39 -5.167 16.187 -13.176 1.00 12.84 O ATOM 1118 CB LYS B 39 -5.863 16.512 -16.454 1.00 13.12 C ATOM 1119 CG LYS B 39 -6.344 17.684 -17.300 1.00 15.60 C ATOM 1120 CD LYS B 39 -5.710 17.724 -18.682 1.00 18.67 C ATOM 1121 CE LYS B 39 -6.198 16.576 -19.559 1.00 20.90 C ATOM 1122 NZ LYS B 39 -5.790 16.752 -20.987 1.00 22.63 N ATOM 0 H LYS B 39 -6.537 18.392 -15.099 1.00 9.95 H new ATOM 0 HA LYS B 39 -7.433 15.958 -15.222 1.00 12.24 H new ATOM 0 HB2 LYS B 39 -4.909 16.599 -16.299 1.00 13.12 H new ATOM 0 HB3 LYS B 39 -5.996 15.686 -16.945 1.00 13.12 H new ATOM 0 HG2 LYS B 39 -7.308 17.634 -17.394 1.00 15.60 H new ATOM 0 HG3 LYS B 39 -6.147 18.513 -16.836 1.00 15.60 H new ATOM 0 HD2 LYS B 39 -5.918 18.569 -19.110 1.00 18.67 H new ATOM 0 HD3 LYS B 39 -4.745 17.679 -18.597 1.00 18.67 H new ATOM 0 HE2 LYS B 39 -5.842 15.739 -19.222 1.00 20.90 H new ATOM 0 HE3 LYS B 39 -7.165 16.516 -19.504 1.00 20.90 H new ATOM 0 HZ1 LYS B 39 -6.090 16.066 -21.468 1.00 22.63 H new ATOM 0 HZ2 LYS B 39 -6.134 17.509 -21.303 1.00 22.63 H new ATOM 0 HZ3 LYS B 39 -4.902 16.785 -21.040 1.00 22.63 H new ATOM 1123 N THR B 40 -5.690 14.313 -14.306 1.00 15.09 N ATOM 1124 CA THR B 40 -4.927 13.436 -13.424 1.00 16.36 C ATOM 1125 C THR B 40 -3.414 13.633 -13.536 1.00 16.78 C ATOM 1126 O THR B 40 -2.907 14.097 -14.558 1.00 14.19 O ATOM 1127 CB THR B 40 -5.236 11.953 -13.718 1.00 18.32 C ATOM 1128 OG1 THR B 40 -4.955 11.673 -15.094 1.00 20.75 O ATOM 1129 CG2 THR B 40 -6.691 11.647 -13.447 1.00 16.88 C ATOM 0 H THR B 40 -6.089 13.908 -14.951 1.00 15.09 H new ATOM 0 HA THR B 40 -5.202 13.675 -12.525 1.00 16.36 H new ATOM 0 HB THR B 40 -4.683 11.403 -13.141 1.00 18.32 H new ATOM 0 HG1 THR B 40 -4.287 11.166 -15.146 1.00 20.75 H new ATOM 0 HG21 THR B 40 -6.866 10.712 -13.637 1.00 16.88 H new ATOM 0 HG22 THR B 40 -6.893 11.831 -12.516 1.00 16.88 H new ATOM 0 HG23 THR B 40 -7.250 12.202 -14.014 1.00 16.88 H new ATOM 1130 N GLY B 41 -2.706 13.277 -12.466 1.00 17.81 N ATOM 1131 CA GLY B 41 -1.259 13.386 -12.441 1.00 17.99 C ATOM 1132 C GLY B 41 -0.709 14.782 -12.646 1.00 21.18 C ATOM 1133 O GLY B 41 0.276 14.959 -13.360 1.00 21.42 O ATOM 0 H GLY B 41 -3.052 12.968 -11.742 1.00 17.81 H new ATOM 0 HA2 GLY B 41 -0.939 13.051 -11.589 1.00 17.99 H new ATOM 0 HA3 GLY B 41 -0.894 12.807 -13.128 1.00 17.99 H new ATOM 1134 N GLN B 42 -1.327 15.776 -12.015 1.00 22.83 N ATOM 1135 CA GLN B 42 -0.878 17.157 -12.161 1.00 23.96 C ATOM 1136 C GLN B 42 -0.276 17.762 -10.897 1.00 23.91 C ATOM 1137 O GLN B 42 0.047 18.953 -10.870 1.00 25.80 O ATOM 1138 CB GLN B 42 -2.031 18.042 -12.633 1.00 24.81 C ATOM 1139 CG GLN B 42 -2.534 17.725 -14.024 1.00 27.35 C ATOM 1140 CD GLN B 42 -1.414 17.609 -15.032 1.00 28.34 C ATOM 1141 OE1 GLN B 42 -0.815 16.548 -15.187 1.00 29.09 O ATOM 1142 NE2 GLN B 42 -1.113 18.708 -15.714 1.00 30.03 N ATOM 0 H GLN B 42 -2.007 15.672 -11.499 1.00 22.83 H new ATOM 0 HA GLN B 42 -0.168 17.126 -12.821 1.00 23.96 H new ATOM 0 HB2 GLN B 42 -2.767 17.956 -12.007 1.00 24.81 H new ATOM 0 HB3 GLN B 42 -1.744 18.968 -12.608 1.00 24.81 H new ATOM 0 HG2 GLN B 42 -3.033 16.894 -14.003 1.00 27.35 H new ATOM 0 HG3 GLN B 42 -3.150 18.418 -14.308 1.00 27.35 H new ATOM 0 HE21 GLN B 42 -1.555 19.433 -15.578 1.00 30.03 H new ATOM 0 HE22 GLN B 42 -0.476 18.695 -16.292 1.00 30.03 H new ATOM 1143 N ALA B 43 -0.132 16.956 -9.851 1.00 23.43 N ATOM 1144 CA ALA B 43 0.446 17.449 -8.606 1.00 23.24 C ATOM 1145 C ALA B 43 1.926 17.775 -8.818 1.00 22.70 C ATOM 1146 O ALA B 43 2.714 16.915 -9.215 1.00 21.38 O ATOM 1147 CB ALA B 43 0.285 16.412 -7.497 1.00 21.57 C ATOM 0 H ALA B 43 -0.360 16.127 -9.841 1.00 23.43 H new ATOM 0 HA ALA B 43 -0.021 18.256 -8.339 1.00 23.24 H new ATOM 0 HB1 ALA B 43 0.673 16.753 -6.676 1.00 21.57 H new ATOM 0 HB2 ALA B 43 -0.658 16.231 -7.357 1.00 21.57 H new ATOM 0 HB3 ALA B 43 0.737 15.592 -7.752 1.00 21.57 H new ATOM 1148 N PRO B 44 2.316 19.035 -8.565 1.00 22.38 N ATOM 1149 CA PRO B 44 3.700 19.493 -8.723 1.00 22.06 C ATOM 1150 C PRO B 44 4.711 18.710 -7.885 1.00 21.19 C ATOM 1151 O PRO B 44 4.560 18.583 -6.669 1.00 20.01 O ATOM 1152 CB PRO B 44 3.626 20.961 -8.296 1.00 21.68 C ATOM 1153 CG PRO B 44 2.248 21.357 -8.705 1.00 23.62 C ATOM 1154 CD PRO B 44 1.429 20.168 -8.243 1.00 22.78 C ATOM 0 HA PRO B 44 4.021 19.363 -9.629 1.00 22.06 H new ATOM 0 HB2 PRO B 44 3.762 21.065 -7.341 1.00 21.68 H new ATOM 0 HB3 PRO B 44 4.301 21.499 -8.739 1.00 21.68 H new ATOM 0 HG2 PRO B 44 1.965 22.181 -8.278 1.00 23.62 H new ATOM 0 HG3 PRO B 44 2.179 21.496 -9.663 1.00 23.62 H new ATOM 0 HD2 PRO B 44 1.228 20.213 -7.295 1.00 22.78 H new ATOM 0 HD3 PRO B 44 0.581 20.109 -8.710 1.00 22.78 H new ATOM 1155 N GLY B 45 5.734 18.179 -8.546 1.00 20.67 N ATOM 1156 CA GLY B 45 6.774 17.450 -7.842 1.00 21.42 C ATOM 1157 C GLY B 45 6.504 16.017 -7.420 1.00 21.85 C ATOM 1158 O GLY B 45 7.279 15.452 -6.650 1.00 21.81 O ATOM 0 H GLY B 45 5.842 18.230 -9.398 1.00 20.67 H new ATOM 0 HA2 GLY B 45 7.563 17.447 -8.406 1.00 21.42 H new ATOM 0 HA3 GLY B 45 6.997 17.954 -7.044 1.00 21.42 H new ATOM 1159 N PHE B 46 5.419 15.420 -7.899 1.00 22.20 N ATOM 1160 CA PHE B 46 5.128 14.035 -7.541 1.00 22.56 C ATOM 1161 C PHE B 46 5.290 13.126 -8.756 1.00 22.25 C ATOM 1162 O PHE B 46 4.805 13.436 -9.844 1.00 21.92 O ATOM 1163 CB PHE B 46 3.709 13.889 -6.995 1.00 21.98 C ATOM 1164 CG PHE B 46 3.377 12.487 -6.580 1.00 21.93 C ATOM 1165 CD1 PHE B 46 3.734 12.017 -5.320 1.00 21.79 C ATOM 1166 CD2 PHE B 46 2.763 11.613 -7.472 1.00 22.01 C ATOM 1167 CE1 PHE B 46 3.487 10.696 -4.954 1.00 20.55 C ATOM 1168 CE2 PHE B 46 2.513 10.289 -7.114 1.00 22.19 C ATOM 1169 CZ PHE B 46 2.877 9.832 -5.854 1.00 20.76 C ATOM 0 H PHE B 46 4.847 15.790 -8.424 1.00 22.20 H new ATOM 0 HA PHE B 46 5.758 13.775 -6.850 1.00 22.56 H new ATOM 0 HB2 PHE B 46 3.599 14.480 -6.234 1.00 21.98 H new ATOM 0 HB3 PHE B 46 3.077 14.178 -7.672 1.00 21.98 H new ATOM 0 HD1 PHE B 46 4.143 12.592 -4.714 1.00 21.79 H new ATOM 0 HD2 PHE B 46 2.517 11.915 -8.316 1.00 22.01 H new ATOM 0 HE1 PHE B 46 3.730 10.393 -4.109 1.00 20.55 H new ATOM 0 HE2 PHE B 46 2.103 9.713 -7.718 1.00 22.19 H new ATOM 0 HZ PHE B 46 2.713 8.949 -5.613 1.00 20.76 H new ATOM 1170 N THR B 47 5.970 12.001 -8.576 1.00 21.94 N ATOM 1171 CA THR B 47 6.166 11.093 -9.692 1.00 20.88 C ATOM 1172 C THR B 47 5.102 10.013 -9.709 1.00 19.81 C ATOM 1173 O THR B 47 5.117 9.084 -8.905 1.00 20.08 O ATOM 1174 CB THR B 47 7.569 10.453 -9.658 1.00 23.35 C ATOM 1175 OG1 THR B 47 8.558 11.471 -9.872 1.00 24.60 O ATOM 1176 CG2 THR B 47 7.707 9.399 -10.749 1.00 22.57 C ATOM 0 H THR B 47 6.319 11.750 -7.831 1.00 21.94 H new ATOM 0 HA THR B 47 6.090 11.617 -10.505 1.00 20.88 H new ATOM 0 HB THR B 47 7.696 10.032 -8.793 1.00 23.35 H new ATOM 0 HG1 THR B 47 9.324 11.126 -9.853 1.00 24.60 H new ATOM 0 HG21 THR B 47 8.594 9.009 -10.712 1.00 22.57 H new ATOM 0 HG22 THR B 47 7.043 8.705 -10.615 1.00 22.57 H new ATOM 0 HG23 THR B 47 7.572 9.811 -11.617 1.00 22.57 H new ATOM 1177 N TYR B 48 4.168 10.160 -10.638 1.00 19.29 N ATOM 1178 CA TYR B 48 3.071 9.219 -10.803 1.00 17.77 C ATOM 1179 C TYR B 48 3.521 8.087 -11.711 1.00 18.29 C ATOM 1180 O TYR B 48 4.626 8.111 -12.250 1.00 17.70 O ATOM 1181 CB TYR B 48 1.890 9.907 -11.474 1.00 14.62 C ATOM 1182 CG TYR B 48 1.265 11.032 -10.695 1.00 15.44 C ATOM 1183 CD1 TYR B 48 0.185 10.796 -9.851 1.00 14.44 C ATOM 1184 CD2 TYR B 48 1.707 12.350 -10.851 1.00 14.81 C ATOM 1185 CE1 TYR B 48 -0.452 11.843 -9.189 1.00 17.78 C ATOM 1186 CE2 TYR B 48 1.079 13.404 -10.190 1.00 15.74 C ATOM 1187 CZ TYR B 48 -0.005 13.141 -9.364 1.00 16.17 C ATOM 1188 OH TYR B 48 -0.673 14.173 -8.741 1.00 16.90 O ATOM 0 H TYR B 48 4.153 10.815 -11.195 1.00 19.29 H new ATOM 0 HA TYR B 48 2.812 8.885 -9.930 1.00 17.77 H new ATOM 0 HB2 TYR B 48 2.182 10.252 -12.332 1.00 14.62 H new ATOM 0 HB3 TYR B 48 1.208 9.241 -11.654 1.00 14.62 H new ATOM 0 HD1 TYR B 48 -0.117 9.925 -9.727 1.00 14.44 H new ATOM 0 HD2 TYR B 48 2.433 12.526 -11.405 1.00 14.81 H new ATOM 0 HE1 TYR B 48 -1.176 11.670 -8.631 1.00 17.78 H new ATOM 0 HE2 TYR B 48 1.383 14.276 -10.301 1.00 15.74 H new ATOM 0 HH TYR B 48 -1.501 14.071 -8.839 1.00 16.90 H new ATOM 1189 N THR B 49 2.652 7.096 -11.876 1.00 18.64 N ATOM 1190 CA THR B 49 2.925 5.983 -12.773 1.00 18.81 C ATOM 1191 C THR B 49 2.404 6.486 -14.113 1.00 18.86 C ATOM 1192 O THR B 49 1.525 7.351 -14.146 1.00 17.25 O ATOM 1193 CB THR B 49 2.106 4.747 -12.404 1.00 18.66 C ATOM 1194 OG1 THR B 49 0.716 5.084 -12.452 1.00 17.76 O ATOM 1195 CG2 THR B 49 2.462 4.260 -11.007 1.00 19.71 C ATOM 0 H THR B 49 1.893 7.051 -11.474 1.00 18.64 H new ATOM 0 HA THR B 49 3.862 5.732 -12.754 1.00 18.81 H new ATOM 0 HB THR B 49 2.303 4.037 -13.034 1.00 18.66 H new ATOM 0 HG1 THR B 49 0.437 5.233 -11.674 1.00 17.76 H new ATOM 0 HG21 THR B 49 1.932 3.476 -10.792 1.00 19.71 H new ATOM 0 HG22 THR B 49 3.404 4.032 -10.974 1.00 19.71 H new ATOM 0 HG23 THR B 49 2.277 4.961 -10.363 1.00 19.71 H new ATOM 1196 N ASP B 50 2.925 5.955 -15.212 1.00 18.77 N ATOM 1197 CA ASP B 50 2.460 6.384 -16.523 1.00 18.81 C ATOM 1198 C ASP B 50 0.937 6.233 -16.607 1.00 17.65 C ATOM 1199 O ASP B 50 0.243 7.028 -17.254 1.00 15.10 O ATOM 1200 CB ASP B 50 3.140 5.558 -17.614 1.00 21.31 C ATOM 1201 CG ASP B 50 4.641 5.781 -17.655 1.00 24.84 C ATOM 1202 OD1 ASP B 50 5.065 6.958 -17.710 1.00 24.67 O ATOM 1203 OD2 ASP B 50 5.396 4.784 -17.635 1.00 26.25 O ATOM 0 H ASP B 50 3.540 5.354 -15.221 1.00 18.77 H new ATOM 0 HA ASP B 50 2.689 7.317 -16.655 1.00 18.81 H new ATOM 0 HB2 ASP B 50 2.959 4.617 -17.464 1.00 21.31 H new ATOM 0 HB3 ASP B 50 2.758 5.787 -18.476 1.00 21.31 H new ATOM 1204 N ALA B 51 0.426 5.213 -15.929 1.00 16.15 N ATOM 1205 CA ALA B 51 -1.004 4.947 -15.901 1.00 16.00 C ATOM 1206 C ALA B 51 -1.763 6.158 -15.360 1.00 15.78 C ATOM 1207 O ALA B 51 -2.645 6.704 -16.020 1.00 14.52 O ATOM 1208 CB ALA B 51 -1.280 3.733 -15.033 1.00 15.13 C ATOM 0 H ALA B 51 0.898 4.657 -15.473 1.00 16.15 H new ATOM 0 HA ALA B 51 -1.308 4.772 -16.805 1.00 16.00 H new ATOM 0 HB1 ALA B 51 -2.234 3.557 -15.016 1.00 15.13 H new ATOM 0 HB2 ALA B 51 -0.816 2.963 -15.397 1.00 15.13 H new ATOM 0 HB3 ALA B 51 -0.966 3.902 -14.131 1.00 15.13 H new ATOM 1209 N ASN B 52 -1.406 6.575 -14.154 1.00 15.57 N ATOM 1210 CA ASN B 52 -2.061 7.709 -13.524 1.00 16.94 C ATOM 1211 C ASN B 52 -1.707 8.984 -14.291 1.00 18.54 C ATOM 1212 O ASN B 52 -2.509 9.921 -14.376 1.00 19.27 O ATOM 1213 CB ASN B 52 -1.602 7.806 -12.066 1.00 15.11 C ATOM 1214 CG ASN B 52 -2.419 8.796 -11.243 1.00 17.23 C ATOM 1215 OD1 ASN B 52 -2.312 8.816 -10.018 1.00 16.05 O ATOM 1216 ND2 ASN B 52 -3.226 9.624 -11.910 1.00 15.64 N ATOM 0 H ASN B 52 -0.784 6.213 -13.682 1.00 15.57 H new ATOM 0 HA ASN B 52 -3.024 7.595 -13.541 1.00 16.94 H new ATOM 0 HB2 ASN B 52 -1.659 6.929 -11.656 1.00 15.11 H new ATOM 0 HB3 ASN B 52 -0.669 8.069 -12.044 1.00 15.11 H new ATOM 0 HD21 ASN B 52 -3.698 10.202 -11.482 1.00 15.64 H new ATOM 0 HD22 ASN B 52 -3.274 9.580 -12.768 1.00 15.64 H new ATOM 1217 N LYS B 53 -0.509 9.000 -14.865 1.00 18.84 N ATOM 1218 CA LYS B 53 -0.020 10.154 -15.609 1.00 18.78 C ATOM 1219 C LYS B 53 -0.764 10.401 -16.916 1.00 19.73 C ATOM 1220 O LYS B 53 -0.922 11.551 -17.333 1.00 21.34 O ATOM 1221 CB LYS B 53 1.474 9.992 -15.889 0.50 16.63 C ATOM 1222 CG LYS B 53 2.124 11.202 -16.530 0.50 16.26 C ATOM 1223 CD LYS B 53 3.633 11.040 -16.556 0.50 16.41 C ATOM 1224 CE LYS B 53 4.320 12.255 -17.149 0.50 14.79 C ATOM 1225 NZ LYS B 53 5.803 12.097 -17.138 0.50 15.11 N ATOM 0 H LYS B 53 0.043 8.342 -14.834 1.00 18.84 H new ATOM 0 HA LYS B 53 -0.182 10.930 -15.050 1.00 18.78 H new ATOM 0 HB2 LYS B 53 1.929 9.797 -15.055 0.50 16.63 H new ATOM 0 HB3 LYS B 53 1.602 9.224 -16.468 0.50 16.63 H new ATOM 0 HG2 LYS B 53 1.789 11.316 -17.433 0.50 16.26 H new ATOM 0 HG3 LYS B 53 1.887 12.003 -16.037 0.50 16.26 H new ATOM 0 HD2 LYS B 53 3.958 10.893 -15.654 0.50 16.41 H new ATOM 0 HD3 LYS B 53 3.865 10.253 -17.073 0.50 16.41 H new ATOM 0 HE2 LYS B 53 4.014 12.390 -18.059 0.50 14.79 H new ATOM 0 HE3 LYS B 53 4.073 13.047 -16.646 0.50 14.79 H new ATOM 0 HZ1 LYS B 53 6.182 12.821 -17.490 0.50 15.11 H new ATOM 0 HZ2 LYS B 53 6.085 11.993 -16.300 0.50 15.11 H new ATOM 0 HZ3 LYS B 53 6.029 11.382 -17.617 0.50 15.11 H new ATOM 1226 N ASN B 54 -1.240 9.332 -17.549 1.00 19.94 N ATOM 1227 CA ASN B 54 -1.938 9.461 -18.825 1.00 19.82 C ATOM 1228 C ASN B 54 -3.434 9.139 -18.836 1.00 18.96 C ATOM 1229 O ASN B 54 -4.020 9.004 -19.911 1.00 16.86 O ATOM 1230 CB ASN B 54 -1.246 8.595 -19.883 1.00 21.63 C ATOM 1231 CG ASN B 54 0.241 8.846 -19.953 1.00 22.58 C ATOM 1232 OD1 ASN B 54 0.682 9.991 -20.020 1.00 24.20 O ATOM 1233 ND2 ASN B 54 1.027 7.773 -19.937 1.00 23.47 N ATOM 0 H ASN B 54 -1.170 8.526 -17.258 1.00 19.94 H new ATOM 0 HA ASN B 54 -1.885 10.410 -19.019 1.00 19.82 H new ATOM 0 HB2 ASN B 54 -1.404 7.659 -19.684 1.00 21.63 H new ATOM 0 HB3 ASN B 54 -1.642 8.772 -20.751 1.00 21.63 H new ATOM 0 HD21 ASN B 54 1.881 7.865 -19.974 1.00 23.47 H new ATOM 0 HD22 ASN B 54 0.681 6.987 -19.889 1.00 23.47 H new ATOM 1234 N LYS B 55 -4.061 9.014 -17.669 1.00 17.25 N ATOM 1235 CA LYS B 55 -5.488 8.719 -17.655 1.00 16.50 C ATOM 1236 C LYS B 55 -6.204 9.842 -18.406 1.00 16.93 C ATOM 1237 O LYS B 55 -7.218 9.614 -19.069 1.00 17.28 O ATOM 1238 CB LYS B 55 -6.003 8.600 -16.217 1.00 15.32 C ATOM 1239 CG LYS B 55 -7.497 8.295 -16.109 1.00 13.62 C ATOM 1240 CD LYS B 55 -7.910 6.984 -16.777 1.00 9.49 C ATOM 1241 CE LYS B 55 -9.419 6.794 -16.647 1.00 9.60 C ATOM 1242 NZ LYS B 55 -9.940 5.509 -17.197 1.00 10.12 N ATOM 0 H LYS B 55 -3.691 9.094 -16.897 1.00 17.25 H new ATOM 0 HA LYS B 55 -5.661 7.869 -18.088 1.00 16.50 H new ATOM 0 HB2 LYS B 55 -5.507 7.901 -15.763 1.00 15.32 H new ATOM 0 HB3 LYS B 55 -5.818 9.429 -15.748 1.00 15.32 H new ATOM 0 HG2 LYS B 55 -7.745 8.262 -15.172 1.00 13.62 H new ATOM 0 HG3 LYS B 55 -7.997 9.024 -16.509 1.00 13.62 H new ATOM 0 HD2 LYS B 55 -7.656 6.994 -17.713 1.00 9.49 H new ATOM 0 HD3 LYS B 55 -7.445 6.240 -16.364 1.00 9.49 H new ATOM 0 HE2 LYS B 55 -9.659 6.850 -15.709 1.00 9.60 H new ATOM 0 HE3 LYS B 55 -9.864 7.528 -17.098 1.00 9.60 H new ATOM 0 HZ1 LYS B 55 -10.803 5.598 -17.394 1.00 10.12 H new ATOM 0 HZ2 LYS B 55 -9.488 5.296 -17.934 1.00 10.12 H new ATOM 0 HZ3 LYS B 55 -9.840 4.864 -16.592 1.00 10.12 H new ATOM 1243 N GLY B 56 -5.658 11.051 -18.296 1.00 17.98 N ATOM 1244 CA GLY B 56 -6.203 12.205 -18.998 1.00 16.34 C ATOM 1245 C GLY B 56 -7.545 12.785 -18.594 1.00 16.66 C ATOM 1246 O GLY B 56 -7.841 13.932 -18.933 1.00 16.67 O ATOM 0 H GLY B 56 -4.966 11.223 -17.815 1.00 17.98 H new ATOM 0 HA2 GLY B 56 -5.549 12.918 -18.928 1.00 16.34 H new ATOM 0 HA3 GLY B 56 -6.264 11.967 -19.936 1.00 16.34 H new ATOM 1247 N ILE B 57 -8.366 12.017 -17.883 1.00 14.43 N ATOM 1248 CA ILE B 57 -9.673 12.510 -17.465 1.00 11.60 C ATOM 1249 C ILE B 57 -9.514 13.651 -16.464 1.00 12.45 C ATOM 1250 O ILE B 57 -8.411 13.899 -15.971 1.00 12.02 O ATOM 1251 CB ILE B 57 -10.523 11.368 -16.837 1.00 10.98 C ATOM 1252 CG1 ILE B 57 -9.792 10.744 -15.642 1.00 8.74 C ATOM 1253 CG2 ILE B 57 -10.811 10.303 -17.889 1.00 7.55 C ATOM 1254 CD1 ILE B 57 -9.913 11.542 -14.356 1.00 8.37 C ATOM 0 H ILE B 57 -8.186 11.214 -17.634 1.00 14.43 H new ATOM 0 HA ILE B 57 -10.135 12.840 -18.251 1.00 11.60 H new ATOM 0 HB ILE B 57 -11.361 11.741 -16.521 1.00 10.98 H new ATOM 0 HG12 ILE B 57 -10.141 9.852 -15.492 1.00 8.74 H new ATOM 0 HG13 ILE B 57 -8.853 10.647 -15.864 1.00 8.74 H new ATOM 0 HG21 ILE B 57 -11.341 9.593 -17.494 1.00 7.55 H new ATOM 0 HG22 ILE B 57 -11.301 10.700 -18.626 1.00 7.55 H new ATOM 0 HG23 ILE B 57 -9.975 9.937 -18.217 1.00 7.55 H new ATOM 0 HD11 ILE B 57 -9.429 11.090 -13.648 1.00 8.37 H new ATOM 0 HD12 ILE B 57 -9.540 12.427 -14.488 1.00 8.37 H new ATOM 0 HD13 ILE B 57 -10.848 11.619 -14.110 1.00 8.37 H new ATOM 1255 N THR B 58 -10.612 14.344 -16.168 1.00 10.82 N ATOM 1256 CA THR B 58 -10.584 15.457 -15.226 1.00 10.01 C ATOM 1257 C THR B 58 -11.264 15.068 -13.918 1.00 9.68 C ATOM 1258 O THR B 58 -12.397 14.583 -13.914 1.00 7.89 O ATOM 1259 CB THR B 58 -11.306 16.713 -15.799 1.00 10.91 C ATOM 1260 OG1 THR B 58 -10.664 17.121 -17.010 1.00 11.28 O ATOM 1261 CG2 THR B 58 -11.255 17.877 -14.795 1.00 7.75 C ATOM 0 H THR B 58 -11.387 14.183 -16.505 1.00 10.82 H new ATOM 0 HA THR B 58 -9.651 15.670 -15.069 1.00 10.01 H new ATOM 0 HB THR B 58 -12.233 16.482 -15.969 1.00 10.91 H new ATOM 0 HG1 THR B 58 -10.924 16.634 -17.643 1.00 11.28 H new ATOM 0 HG21 THR B 58 -11.709 18.648 -15.170 1.00 7.75 H new ATOM 0 HG22 THR B 58 -11.693 17.613 -13.971 1.00 7.75 H new ATOM 0 HG23 THR B 58 -10.330 18.105 -14.610 1.00 7.75 H new ATOM 1262 N TRP B 59 -10.565 15.278 -12.810 1.00 9.58 N ATOM 1263 CA TRP B 59 -11.119 14.957 -11.506 1.00 9.91 C ATOM 1264 C TRP B 59 -12.291 15.875 -11.145 1.00 10.46 C ATOM 1265 O TRP B 59 -12.216 17.095 -11.292 1.00 10.12 O ATOM 1266 CB TRP B 59 -10.026 15.043 -10.433 1.00 8.42 C ATOM 1267 CG TRP B 59 -9.067 13.904 -10.505 1.00 9.62 C ATOM 1268 CD1 TRP B 59 -7.711 13.977 -10.599 1.00 8.40 C ATOM 1269 CD2 TRP B 59 -9.394 12.508 -10.499 1.00 8.67 C ATOM 1270 NE1 TRP B 59 -7.170 12.721 -10.652 1.00 7.39 N ATOM 1271 CE2 TRP B 59 -8.179 11.797 -10.594 1.00 8.65 C ATOM 1272 CE3 TRP B 59 -10.596 11.790 -10.428 1.00 7.27 C ATOM 1273 CZ2 TRP B 59 -8.127 10.399 -10.618 1.00 9.23 C ATOM 1274 CZ3 TRP B 59 -10.546 10.396 -10.453 1.00 7.00 C ATOM 1275 CH2 TRP B 59 -9.319 9.718 -10.548 1.00 9.62 C ATOM 0 H TRP B 59 -9.770 15.605 -12.793 1.00 9.58 H new ATOM 0 HA TRP B 59 -11.459 14.050 -11.545 1.00 9.91 H new ATOM 0 HB2 TRP B 59 -9.542 15.877 -10.535 1.00 8.42 H new ATOM 0 HB3 TRP B 59 -10.439 15.060 -9.555 1.00 8.42 H new ATOM 0 HD1 TRP B 59 -7.222 14.768 -10.624 1.00 8.40 H new ATOM 0 HE1 TRP B 59 -6.331 12.541 -10.712 1.00 7.39 H new ATOM 0 HE3 TRP B 59 -11.411 12.234 -10.365 1.00 7.27 H new ATOM 0 HZ2 TRP B 59 -7.316 9.947 -10.679 1.00 9.23 H new ATOM 0 HZ3 TRP B 59 -11.336 9.908 -10.406 1.00 7.00 H new ATOM 0 HH2 TRP B 59 -9.313 8.788 -10.564 1.00 9.62 H new ATOM 1276 N LYS B 60 -13.373 15.253 -10.693 1.00 11.56 N ATOM 1277 CA LYS B 60 -14.595 15.932 -10.279 1.00 13.40 C ATOM 1278 C LYS B 60 -15.457 14.853 -9.651 1.00 12.36 C ATOM 1279 O LYS B 60 -15.151 13.672 -9.791 1.00 11.38 O ATOM 1280 CB LYS B 60 -15.306 16.564 -11.480 1.00 13.87 C ATOM 1281 CG LYS B 60 -15.470 15.642 -12.681 1.00 19.00 C ATOM 1282 CD LYS B 60 -15.896 16.431 -13.920 1.00 20.31 C ATOM 1283 CE LYS B 60 -15.874 15.566 -15.167 1.00 21.33 C ATOM 1284 NZ LYS B 60 -16.089 16.394 -16.388 1.00 21.34 N ATOM 0 H LYS B 60 -13.418 14.398 -10.616 1.00 11.56 H new ATOM 0 HA LYS B 60 -14.411 16.656 -9.660 1.00 13.40 H new ATOM 0 HB2 LYS B 60 -16.183 16.867 -11.198 1.00 13.87 H new ATOM 0 HB3 LYS B 60 -14.810 17.350 -11.757 1.00 13.87 H new ATOM 0 HG2 LYS B 60 -14.634 15.182 -12.857 1.00 19.00 H new ATOM 0 HG3 LYS B 60 -16.132 14.961 -12.483 1.00 19.00 H new ATOM 0 HD2 LYS B 60 -16.789 16.786 -13.787 1.00 20.31 H new ATOM 0 HD3 LYS B 60 -15.304 17.190 -14.041 1.00 20.31 H new ATOM 0 HE2 LYS B 60 -15.024 15.103 -15.230 1.00 21.33 H new ATOM 0 HE3 LYS B 60 -16.563 14.886 -15.106 1.00 21.33 H new ATOM 0 HZ1 LYS B 60 -16.073 15.871 -17.108 1.00 21.34 H new ATOM 0 HZ2 LYS B 60 -16.878 16.802 -16.335 1.00 21.34 H new ATOM 0 HZ3 LYS B 60 -15.444 17.004 -16.451 1.00 21.34 H new ATOM 1285 N GLU B 61 -16.521 15.249 -8.960 1.00 13.45 N ATOM 1286 CA GLU B 61 -17.392 14.287 -8.291 1.00 14.89 C ATOM 1287 C GLU B 61 -17.687 13.044 -9.119 1.00 14.42 C ATOM 1288 O GLU B 61 -17.566 11.922 -8.629 1.00 15.00 O ATOM 1289 CB GLU B 61 -18.716 14.941 -7.878 1.00 16.09 C ATOM 1290 CG GLU B 61 -18.570 16.048 -6.843 1.00 16.20 C ATOM 1291 CD GLU B 61 -18.582 17.432 -7.460 1.00 18.75 C ATOM 1292 OE1 GLU B 61 -17.906 17.637 -8.501 1.00 17.00 O ATOM 1293 OE2 GLU B 61 -19.261 18.316 -6.893 1.00 17.76 O ATOM 0 H GLU B 61 -16.757 16.071 -8.866 1.00 13.45 H new ATOM 0 HA GLU B 61 -16.899 13.999 -7.507 1.00 14.89 H new ATOM 0 HB2 GLU B 61 -19.145 15.305 -8.668 1.00 16.09 H new ATOM 0 HB3 GLU B 61 -19.306 14.257 -7.524 1.00 16.09 H new ATOM 0 HG2 GLU B 61 -19.291 15.979 -6.198 1.00 16.20 H new ATOM 0 HG3 GLU B 61 -17.741 15.923 -6.356 1.00 16.20 H new ATOM 1294 N GLU B 62 -18.069 13.248 -10.372 1.00 14.45 N ATOM 1295 CA GLU B 62 -18.396 12.143 -11.254 1.00 15.20 C ATOM 1296 C GLU B 62 -17.251 11.148 -11.379 1.00 13.62 C ATOM 1297 O GLU B 62 -17.391 9.981 -11.016 1.00 14.54 O ATOM 1298 CB GLU B 62 -18.766 12.665 -12.645 1.00 18.35 C ATOM 1299 CG GLU B 62 -20.093 13.410 -12.729 1.00 22.88 C ATOM 1300 CD GLU B 62 -20.058 14.813 -12.130 1.00 24.95 C ATOM 1301 OE1 GLU B 62 -21.055 15.545 -12.310 1.00 28.28 O ATOM 1302 OE2 GLU B 62 -19.053 15.187 -11.483 1.00 25.81 O ATOM 0 H GLU B 62 -18.145 14.026 -10.731 1.00 14.45 H new ATOM 0 HA GLU B 62 -19.153 11.682 -10.860 1.00 15.20 H new ATOM 0 HB2 GLU B 62 -18.060 13.256 -12.951 1.00 18.35 H new ATOM 0 HB3 GLU B 62 -18.794 11.915 -13.259 1.00 18.35 H new ATOM 0 HG2 GLU B 62 -20.360 13.473 -13.660 1.00 22.88 H new ATOM 0 HG3 GLU B 62 -20.774 12.891 -12.273 1.00 22.88 H new ATOM 1303 N THR B 63 -16.121 11.617 -11.899 1.00 12.64 N ATOM 1304 CA THR B 63 -14.943 10.773 -12.094 1.00 10.45 C ATOM 1305 C THR B 63 -14.367 10.221 -10.790 1.00 9.75 C ATOM 1306 O THR B 63 -13.825 9.111 -10.765 1.00 8.71 O ATOM 1307 CB THR B 63 -13.853 11.544 -12.856 1.00 9.95 C ATOM 1308 OG1 THR B 63 -13.597 12.786 -12.189 1.00 7.45 O ATOM 1309 CG2 THR B 63 -14.312 11.824 -14.293 1.00 8.66 C ATOM 0 H THR B 63 -16.014 12.433 -12.149 1.00 12.64 H new ATOM 0 HA THR B 63 -15.241 10.011 -12.615 1.00 10.45 H new ATOM 0 HB THR B 63 -13.044 11.010 -12.880 1.00 9.95 H new ATOM 0 HG1 THR B 63 -13.244 13.326 -12.727 1.00 7.45 H new ATOM 0 HG21 THR B 63 -13.618 12.310 -14.765 1.00 8.66 H new ATOM 0 HG22 THR B 63 -14.484 10.984 -14.747 1.00 8.66 H new ATOM 0 HG23 THR B 63 -15.124 12.354 -14.276 1.00 8.66 H new ATOM 1310 N LEU B 64 -14.487 10.992 -9.712 1.00 9.83 N ATOM 1311 CA LEU B 64 -13.994 10.555 -8.408 1.00 11.19 C ATOM 1312 C LEU B 64 -14.897 9.461 -7.834 1.00 9.90 C ATOM 1313 O LEU B 64 -14.423 8.560 -7.144 1.00 10.92 O ATOM 1314 CB LEU B 64 -13.919 11.736 -7.433 1.00 13.22 C ATOM 1315 CG LEU B 64 -12.669 12.625 -7.477 1.00 12.50 C ATOM 1316 CD1 LEU B 64 -12.896 13.884 -6.642 1.00 9.25 C ATOM 1317 CD2 LEU B 64 -11.476 11.839 -6.946 1.00 8.05 C ATOM 0 H LEU B 64 -14.851 11.771 -9.714 1.00 9.83 H new ATOM 0 HA LEU B 64 -13.101 10.195 -8.528 1.00 11.19 H new ATOM 0 HB2 LEU B 64 -14.692 12.301 -7.590 1.00 13.22 H new ATOM 0 HB3 LEU B 64 -14.003 11.385 -6.533 1.00 13.22 H new ATOM 0 HG LEU B 64 -12.490 12.893 -8.392 1.00 12.50 H new ATOM 0 HD11 LEU B 64 -12.103 14.441 -6.674 1.00 9.25 H new ATOM 0 HD12 LEU B 64 -13.651 14.377 -6.998 1.00 9.25 H new ATOM 0 HD13 LEU B 64 -13.078 13.634 -5.723 1.00 9.25 H new ATOM 0 HD21 LEU B 64 -10.683 12.397 -6.972 1.00 8.05 H new ATOM 0 HD22 LEU B 64 -11.649 11.566 -6.031 1.00 8.05 H new ATOM 0 HD23 LEU B 64 -11.335 11.053 -7.496 1.00 8.05 H new ATOM 1318 N MET B 65 -16.194 9.536 -8.124 1.00 8.84 N ATOM 1319 CA MET B 65 -17.127 8.522 -7.642 1.00 8.17 C ATOM 1320 C MET B 65 -16.800 7.157 -8.267 1.00 8.82 C ATOM 1321 O MET B 65 -16.840 6.134 -7.586 1.00 8.43 O ATOM 1322 CB MET B 65 -18.572 8.906 -7.982 1.00 8.66 C ATOM 1323 CG MET B 65 -19.212 9.966 -7.076 1.00 11.21 C ATOM 1324 SD MET B 65 -19.547 9.384 -5.388 1.00 14.62 S ATOM 1325 CE MET B 65 -20.936 8.266 -5.676 1.00 12.43 C ATOM 0 H MET B 65 -16.551 10.161 -8.595 1.00 8.84 H new ATOM 0 HA MET B 65 -17.036 8.465 -6.678 1.00 8.17 H new ATOM 0 HB2 MET B 65 -18.596 9.229 -8.896 1.00 8.66 H new ATOM 0 HB3 MET B 65 -19.118 8.105 -7.950 1.00 8.66 H new ATOM 0 HG2 MET B 65 -18.626 10.738 -7.032 1.00 11.21 H new ATOM 0 HG3 MET B 65 -20.044 10.263 -7.478 1.00 11.21 H new ATOM 0 HE1 MET B 65 -21.712 8.581 -5.186 1.00 12.43 H new ATOM 0 HE2 MET B 65 -21.140 8.241 -6.624 1.00 12.43 H new ATOM 0 HE3 MET B 65 -20.703 7.375 -5.373 1.00 12.43 H new ATOM 1326 N GLU B 66 -16.463 7.147 -9.557 1.00 8.57 N ATOM 1327 CA GLU B 66 -16.144 5.900 -10.253 1.00 9.41 C ATOM 1328 C GLU B 66 -14.762 5.379 -9.842 1.00 10.91 C ATOM 1329 O GLU B 66 -14.581 4.193 -9.578 1.00 11.15 O ATOM 1330 CB GLU B 66 -16.190 6.107 -11.775 1.00 10.42 C ATOM 1331 CG GLU B 66 -16.243 4.805 -12.586 1.00 12.13 C ATOM 1332 CD GLU B 66 -16.161 5.014 -14.096 1.00 11.63 C ATOM 1333 OE1 GLU B 66 -16.919 5.842 -14.641 1.00 8.23 O ATOM 1334 OE2 GLU B 66 -15.338 4.332 -14.745 1.00 14.80 O ATOM 0 H GLU B 66 -16.413 7.852 -10.047 1.00 8.57 H new ATOM 0 HA GLU B 66 -16.810 5.241 -10.002 1.00 9.41 H new ATOM 0 HB2 GLU B 66 -16.967 6.645 -11.995 1.00 10.42 H new ATOM 0 HB3 GLU B 66 -15.408 6.613 -12.046 1.00 10.42 H new ATOM 0 HG2 GLU B 66 -15.512 4.231 -12.308 1.00 12.13 H new ATOM 0 HG3 GLU B 66 -17.067 4.337 -12.377 1.00 12.13 H new ATOM 1335 N TYR B 67 -13.788 6.275 -9.786 1.00 10.85 N ATOM 1336 CA TYR B 67 -12.439 5.901 -9.405 1.00 11.40 C ATOM 1337 C TYR B 67 -12.376 5.287 -8.004 1.00 14.01 C ATOM 1338 O TYR B 67 -11.838 4.189 -7.818 1.00 13.02 O ATOM 1339 CB TYR B 67 -11.538 7.129 -9.457 1.00 10.73 C ATOM 1340 CG TYR B 67 -10.175 6.922 -8.844 1.00 9.71 C ATOM 1341 CD1 TYR B 67 -9.156 6.272 -9.542 1.00 9.67 C ATOM 1342 CD2 TYR B 67 -9.894 7.402 -7.567 1.00 12.29 C ATOM 1343 CE1 TYR B 67 -7.888 6.118 -8.980 1.00 8.13 C ATOM 1344 CE2 TYR B 67 -8.640 7.252 -7.001 1.00 8.81 C ATOM 1345 CZ TYR B 67 -7.644 6.618 -7.707 1.00 8.43 C ATOM 1346 OH TYR B 67 -6.400 6.529 -7.143 1.00 8.75 O ATOM 0 H TYR B 67 -13.890 7.110 -9.966 1.00 10.85 H new ATOM 0 HA TYR B 67 -12.137 5.227 -10.034 1.00 11.40 H new ATOM 0 HB2 TYR B 67 -11.428 7.398 -10.382 1.00 10.73 H new ATOM 0 HB3 TYR B 67 -11.980 7.861 -8.999 1.00 10.73 H new ATOM 0 HD1 TYR B 67 -9.324 5.937 -10.393 1.00 9.67 H new ATOM 0 HD2 TYR B 67 -10.563 7.832 -7.085 1.00 12.29 H new ATOM 0 HE1 TYR B 67 -7.214 5.685 -9.452 1.00 8.13 H new ATOM 0 HE2 TYR B 67 -8.471 7.579 -6.147 1.00 8.81 H new ATOM 0 HH TYR B 67 -6.125 7.298 -6.947 1.00 8.75 H new ATOM 1347 N LEU B 68 -12.930 6.003 -7.025 1.00 14.85 N ATOM 1348 CA LEU B 68 -12.921 5.555 -5.631 1.00 14.38 C ATOM 1349 C LEU B 68 -13.564 4.208 -5.334 1.00 14.43 C ATOM 1350 O LEU B 68 -13.208 3.567 -4.340 1.00 14.18 O ATOM 1351 CB LEU B 68 -13.548 6.617 -4.721 1.00 12.45 C ATOM 1352 CG LEU B 68 -12.663 7.841 -4.489 1.00 14.58 C ATOM 1353 CD1 LEU B 68 -13.373 8.822 -3.580 1.00 14.84 C ATOM 1354 CD2 LEU B 68 -11.338 7.401 -3.869 1.00 12.79 C ATOM 0 H LEU B 68 -13.320 6.759 -7.149 1.00 14.85 H new ATOM 0 HA LEU B 68 -11.977 5.427 -5.447 1.00 14.38 H new ATOM 0 HB2 LEU B 68 -14.388 6.906 -5.109 1.00 12.45 H new ATOM 0 HB3 LEU B 68 -13.756 6.213 -3.864 1.00 12.45 H new ATOM 0 HG LEU B 68 -12.484 8.278 -5.336 1.00 14.58 H new ATOM 0 HD11 LEU B 68 -12.808 9.597 -3.436 1.00 14.84 H new ATOM 0 HD12 LEU B 68 -14.205 9.102 -3.992 1.00 14.84 H new ATOM 0 HD13 LEU B 68 -13.561 8.397 -2.729 1.00 14.84 H new ATOM 0 HD21 LEU B 68 -10.776 8.178 -3.722 1.00 12.79 H new ATOM 0 HD22 LEU B 68 -11.508 6.960 -3.022 1.00 12.79 H new ATOM 0 HD23 LEU B 68 -10.888 6.786 -4.469 1.00 12.79 H new ATOM 1355 N GLU B 69 -14.510 3.773 -6.161 1.00 13.08 N ATOM 1356 CA GLU B 69 -15.145 2.480 -5.913 1.00 13.18 C ATOM 1357 C GLU B 69 -14.181 1.347 -6.236 1.00 12.66 C ATOM 1358 O GLU B 69 -14.335 0.234 -5.730 1.00 12.11 O ATOM 1359 CB GLU B 69 -16.428 2.304 -6.737 1.00 14.87 C ATOM 1360 CG GLU B 69 -17.128 0.975 -6.441 1.00 19.73 C ATOM 1361 CD GLU B 69 -18.491 0.834 -7.101 1.00 24.05 C ATOM 1362 OE1 GLU B 69 -19.153 -0.197 -6.853 1.00 25.19 O ATOM 1363 OE2 GLU B 69 -18.902 1.743 -7.860 1.00 24.76 O ATOM 0 H GLU B 69 -14.794 4.197 -6.854 1.00 13.08 H new ATOM 0 HA GLU B 69 -15.382 2.454 -4.973 1.00 13.18 H new ATOM 0 HB2 GLU B 69 -17.035 3.037 -6.548 1.00 14.87 H new ATOM 0 HB3 GLU B 69 -16.213 2.351 -7.682 1.00 14.87 H new ATOM 0 HG2 GLU B 69 -16.559 0.247 -6.737 1.00 19.73 H new ATOM 0 HG3 GLU B 69 -17.232 0.882 -5.481 1.00 19.73 H new ATOM 1364 N ASN B 70 -13.197 1.640 -7.088 1.00 12.46 N ATOM 1365 CA ASN B 70 -12.180 0.664 -7.484 1.00 11.52 C ATOM 1366 C ASN B 70 -11.070 1.349 -8.289 1.00 8.50 C ATOM 1367 O ASN B 70 -11.138 1.421 -9.511 1.00 8.52 O ATOM 1368 CB ASN B 70 -12.797 -0.449 -8.339 1.00 11.18 C ATOM 1369 CG ASN B 70 -11.807 -1.570 -8.649 1.00 13.06 C ATOM 1370 OD1 ASN B 70 -10.602 -1.343 -8.755 1.00 10.24 O ATOM 1371 ND2 ASN B 70 -12.322 -2.787 -8.813 1.00 14.01 N ATOM 0 H ASN B 70 -13.101 2.413 -7.453 1.00 12.46 H new ATOM 0 HA ASN B 70 -11.809 0.278 -6.675 1.00 11.52 H new ATOM 0 HB2 ASN B 70 -13.565 -0.819 -7.876 1.00 11.18 H new ATOM 0 HB3 ASN B 70 -13.122 -0.070 -9.171 1.00 11.18 H new ATOM 0 HD21 ASN B 70 -11.807 -3.450 -9.000 1.00 14.01 H new ATOM 0 HD22 ASN B 70 -13.169 -2.910 -8.732 1.00 14.01 H new ATOM 1372 N PRO B 71 -10.030 1.851 -7.609 1.00 7.55 N ATOM 1373 CA PRO B 71 -8.914 2.528 -8.276 1.00 8.19 C ATOM 1374 C PRO B 71 -8.306 1.780 -9.467 1.00 7.88 C ATOM 1375 O PRO B 71 -8.194 2.329 -10.569 1.00 5.57 O ATOM 1376 CB PRO B 71 -7.914 2.718 -7.141 1.00 7.04 C ATOM 1377 CG PRO B 71 -8.812 3.018 -5.992 1.00 7.97 C ATOM 1378 CD PRO B 71 -9.917 1.988 -6.146 1.00 6.90 C ATOM 0 HA PRO B 71 -9.205 3.352 -8.697 1.00 8.19 H new ATOM 0 HB2 PRO B 71 -7.381 1.922 -6.988 1.00 7.04 H new ATOM 0 HB3 PRO B 71 -7.295 3.444 -7.319 1.00 7.04 H new ATOM 0 HG2 PRO B 71 -8.352 2.927 -5.143 1.00 7.97 H new ATOM 0 HG3 PRO B 71 -9.157 3.924 -6.032 1.00 7.97 H new ATOM 0 HD2 PRO B 71 -9.687 1.146 -5.722 1.00 6.90 H new ATOM 0 HD3 PRO B 71 -10.748 2.289 -5.747 1.00 6.90 H new ATOM 1379 N LYS B 72 -7.915 0.532 -9.231 1.00 6.58 N ATOM 1380 CA LYS B 72 -7.294 -0.305 -10.250 1.00 8.56 C ATOM 1381 C LYS B 72 -8.145 -0.429 -11.513 1.00 8.96 C ATOM 1382 O LYS B 72 -7.614 -0.433 -12.630 1.00 9.36 O ATOM 1383 CB LYS B 72 -7.026 -1.697 -9.672 0.50 6.68 C ATOM 1384 CG LYS B 72 -5.905 -2.449 -10.347 0.50 7.41 C ATOM 1385 CD LYS B 72 -5.577 -3.741 -9.595 0.50 6.56 C ATOM 1386 CE LYS B 72 -6.715 -4.741 -9.676 0.50 4.10 C ATOM 1387 NZ LYS B 72 -6.950 -5.170 -11.080 0.50 3.83 N ATOM 0 H LYS B 72 -8.004 0.144 -8.468 1.00 6.58 H new ATOM 0 HA LYS B 72 -6.463 0.123 -10.507 1.00 8.56 H new ATOM 0 HB2 LYS B 72 -6.819 -1.609 -8.728 0.50 6.68 H new ATOM 0 HB3 LYS B 72 -7.838 -2.223 -9.736 0.50 6.68 H new ATOM 0 HG2 LYS B 72 -6.156 -2.658 -11.260 0.50 7.41 H new ATOM 0 HG3 LYS B 72 -5.115 -1.887 -10.391 0.50 7.41 H new ATOM 0 HD2 LYS B 72 -4.772 -4.136 -9.965 0.50 6.56 H new ATOM 0 HD3 LYS B 72 -5.391 -3.536 -8.665 0.50 6.56 H new ATOM 0 HE2 LYS B 72 -6.510 -5.515 -9.128 0.50 4.10 H new ATOM 0 HE3 LYS B 72 -7.524 -4.345 -9.316 0.50 4.10 H new ATOM 0 HZ1 LYS B 72 -7.665 -5.698 -11.113 0.50 3.83 H new ATOM 0 HZ2 LYS B 72 -7.086 -4.454 -11.591 0.50 3.83 H new ATOM 0 HZ3 LYS B 72 -6.239 -5.615 -11.378 0.50 3.83 H new ATOM 1388 N LYS B 73 -9.460 -0.532 -11.321 1.00 8.34 N ATOM 1389 CA LYS B 73 -10.407 -0.669 -12.423 1.00 9.29 C ATOM 1390 C LYS B 73 -10.531 0.610 -13.245 1.00 10.92 C ATOM 1391 O LYS B 73 -10.580 0.550 -14.470 1.00 12.23 O ATOM 1392 CB LYS B 73 -11.782 -1.069 -11.885 0.50 8.17 C ATOM 1393 CG LYS B 73 -12.824 -1.346 -12.952 0.50 7.79 C ATOM 1394 CD LYS B 73 -14.141 -1.745 -12.314 0.50 9.02 C ATOM 1395 CE LYS B 73 -15.224 -1.990 -13.350 0.50 11.60 C ATOM 1396 NZ LYS B 73 -14.930 -3.161 -14.233 0.50 12.05 N ATOM 0 H LYS B 73 -9.828 -0.524 -10.544 1.00 8.34 H new ATOM 0 HA LYS B 73 -10.065 -1.362 -13.009 1.00 9.29 H new ATOM 0 HB2 LYS B 73 -11.682 -1.861 -11.334 0.50 8.17 H new ATOM 0 HB3 LYS B 73 -12.108 -0.361 -11.308 0.50 8.17 H new ATOM 0 HG2 LYS B 73 -12.950 -0.557 -13.502 0.50 7.79 H new ATOM 0 HG3 LYS B 73 -12.515 -2.054 -13.539 0.50 7.79 H new ATOM 0 HD2 LYS B 73 -14.013 -2.548 -11.785 0.50 9.02 H new ATOM 0 HD3 LYS B 73 -14.429 -1.047 -11.705 0.50 9.02 H new ATOM 0 HE2 LYS B 73 -16.070 -2.135 -12.899 0.50 11.60 H new ATOM 0 HE3 LYS B 73 -15.327 -1.196 -13.897 0.50 11.60 H new ATOM 0 HZ1 LYS B 73 -15.623 -3.308 -14.772 0.50 12.05 H new ATOM 0 HZ2 LYS B 73 -14.206 -2.991 -14.721 0.50 12.05 H new ATOM 0 HZ3 LYS B 73 -14.787 -3.882 -13.732 0.50 12.05 H new ATOM 1397 N TYR B 74 -10.590 1.763 -12.579 1.00 11.55 N ATOM 1398 CA TYR B 74 -10.711 3.027 -13.301 1.00 11.51 C ATOM 1399 C TYR B 74 -9.371 3.431 -13.899 1.00 11.58 C ATOM 1400 O TYR B 74 -9.330 4.081 -14.941 1.00 12.60 O ATOM 1401 CB TYR B 74 -11.223 4.148 -12.388 1.00 10.52 C ATOM 1402 CG TYR B 74 -11.608 5.416 -13.139 1.00 8.07 C ATOM 1403 CD1 TYR B 74 -12.668 5.422 -14.043 1.00 8.23 C ATOM 1404 CD2 TYR B 74 -10.901 6.605 -12.956 1.00 7.74 C ATOM 1405 CE1 TYR B 74 -13.017 6.586 -14.746 1.00 8.72 C ATOM 1406 CE2 TYR B 74 -11.237 7.765 -13.652 1.00 6.67 C ATOM 1407 CZ TYR B 74 -12.292 7.752 -14.541 1.00 7.26 C ATOM 1408 OH TYR B 74 -12.617 8.904 -15.219 1.00 9.67 O ATOM 0 H TYR B 74 -10.562 1.834 -11.722 1.00 11.55 H new ATOM 0 HA TYR B 74 -11.355 2.893 -14.014 1.00 11.51 H new ATOM 0 HB2 TYR B 74 -11.994 3.827 -11.894 1.00 10.52 H new ATOM 0 HB3 TYR B 74 -10.538 4.362 -11.736 1.00 10.52 H new ATOM 0 HD1 TYR B 74 -13.153 4.641 -14.183 1.00 8.23 H new ATOM 0 HD2 TYR B 74 -10.190 6.624 -12.357 1.00 7.74 H new ATOM 0 HE1 TYR B 74 -13.729 6.576 -15.345 1.00 8.72 H new ATOM 0 HE2 TYR B 74 -10.751 8.546 -13.517 1.00 6.67 H new ATOM 0 HH TYR B 74 -12.420 9.571 -14.748 1.00 9.67 H new ATOM 1409 N ILE B 75 -8.276 3.066 -13.235 1.00 10.18 N ATOM 1410 CA ILE B 75 -6.959 3.383 -13.761 1.00 8.90 C ATOM 1411 C ILE B 75 -6.057 2.152 -13.759 1.00 11.23 C ATOM 1412 O ILE B 75 -5.270 1.927 -12.835 1.00 11.53 O ATOM 1413 CB ILE B 75 -6.257 4.523 -12.989 1.00 7.79 C ATOM 1414 CG1 ILE B 75 -7.115 5.795 -13.015 1.00 7.80 C ATOM 1415 CG2 ILE B 75 -4.915 4.837 -13.659 1.00 8.01 C ATOM 1416 CD1 ILE B 75 -6.436 7.021 -12.397 1.00 4.21 C ATOM 0 H ILE B 75 -8.277 2.640 -12.488 1.00 10.18 H new ATOM 0 HA ILE B 75 -7.106 3.686 -14.671 1.00 8.90 H new ATOM 0 HB ILE B 75 -6.125 4.238 -12.071 1.00 7.79 H new ATOM 0 HG12 ILE B 75 -7.349 5.996 -13.934 1.00 7.80 H new ATOM 0 HG13 ILE B 75 -7.944 5.624 -12.542 1.00 7.80 H new ATOM 0 HG21 ILE B 75 -4.472 5.552 -13.177 1.00 8.01 H new ATOM 0 HG22 ILE B 75 -4.355 4.045 -13.649 1.00 8.01 H new ATOM 0 HG23 ILE B 75 -5.068 5.112 -14.576 1.00 8.01 H new ATOM 0 HD11 ILE B 75 -7.034 7.783 -12.449 1.00 4.21 H new ATOM 0 HD12 ILE B 75 -6.224 6.840 -11.468 1.00 4.21 H new ATOM 0 HD13 ILE B 75 -5.620 7.218 -12.882 1.00 4.21 H new ATOM 1417 N PRO B 76 -6.178 1.325 -14.803 1.00 11.56 N ATOM 1418 CA PRO B 76 -5.369 0.114 -14.928 1.00 13.10 C ATOM 1419 C PRO B 76 -3.903 0.501 -14.839 1.00 13.92 C ATOM 1420 O PRO B 76 -3.433 1.340 -15.608 1.00 13.17 O ATOM 1421 CB PRO B 76 -5.750 -0.408 -16.310 1.00 15.09 C ATOM 1422 CG PRO B 76 -7.193 -0.004 -16.423 1.00 14.28 C ATOM 1423 CD PRO B 76 -7.171 1.413 -15.885 1.00 11.93 C ATOM 0 HA PRO B 76 -5.515 -0.555 -14.241 1.00 13.10 H new ATOM 0 HB2 PRO B 76 -5.208 -0.010 -17.009 1.00 15.09 H new ATOM 0 HB3 PRO B 76 -5.638 -1.369 -16.377 1.00 15.09 H new ATOM 0 HG2 PRO B 76 -7.508 -0.039 -17.340 1.00 14.28 H new ATOM 0 HG3 PRO B 76 -7.773 -0.581 -15.901 1.00 14.28 H new ATOM 0 HD2 PRO B 76 -6.909 2.054 -16.565 1.00 11.93 H new ATOM 0 HD3 PRO B 76 -8.041 1.688 -15.556 1.00 11.93 H new ATOM 1424 N GLY B 77 -3.189 -0.099 -13.891 1.00 15.61 N ATOM 1425 CA GLY B 77 -1.780 0.208 -13.732 1.00 15.47 C ATOM 1426 C GLY B 77 -1.461 0.950 -12.449 1.00 15.43 C ATOM 1427 O GLY B 77 -0.320 0.918 -11.988 1.00 14.75 O ATOM 0 H GLY B 77 -3.500 -0.679 -13.338 1.00 15.61 H new ATOM 0 HA2 GLY B 77 -1.272 -0.618 -13.754 1.00 15.47 H new ATOM 0 HA3 GLY B 77 -1.486 0.741 -14.487 1.00 15.47 H new ATOM 1428 N THR B 78 -2.454 1.624 -11.871 1.00 14.47 N ATOM 1429 CA THR B 78 -2.225 2.355 -10.633 1.00 13.69 C ATOM 1430 C THR B 78 -2.118 1.364 -9.486 1.00 13.26 C ATOM 1431 O THR B 78 -2.967 0.490 -9.313 1.00 11.43 O ATOM 1432 CB THR B 78 -3.352 3.367 -10.323 1.00 13.51 C ATOM 1433 OG1 THR B 78 -2.907 4.254 -9.292 1.00 16.07 O ATOM 1434 CG2 THR B 78 -4.614 2.666 -9.852 1.00 12.40 C ATOM 0 H THR B 78 -3.257 1.669 -12.177 1.00 14.47 H new ATOM 0 HA THR B 78 -1.403 2.859 -10.739 1.00 13.69 H new ATOM 0 HB THR B 78 -3.557 3.854 -11.137 1.00 13.51 H new ATOM 0 HG1 THR B 78 -2.230 4.675 -9.557 1.00 16.07 H new ATOM 0 HG21 THR B 78 -5.301 3.326 -9.666 1.00 12.40 H new ATOM 0 HG22 THR B 78 -4.926 2.061 -10.543 1.00 12.40 H new ATOM 0 HG23 THR B 78 -4.423 2.163 -9.045 1.00 12.40 H new ATOM 1435 N LYS B 79 -1.062 1.514 -8.701 1.00 14.47 N ATOM 1436 CA LYS B 79 -0.805 0.623 -7.582 1.00 15.95 C ATOM 1437 C LYS B 79 0.387 1.174 -6.813 1.00 16.40 C ATOM 1438 O LYS B 79 0.855 2.286 -7.062 1.00 14.92 O ATOM 1439 CB LYS B 79 -0.428 -0.760 -8.110 1.00 17.04 C ATOM 1440 CG LYS B 79 0.849 -0.685 -8.940 1.00 17.29 C ATOM 1441 CD LYS B 79 1.275 -1.999 -9.551 1.00 20.62 C ATOM 1442 CE LYS B 79 2.409 -1.738 -10.536 1.00 21.17 C ATOM 1443 NZ LYS B 79 2.859 -2.965 -11.241 1.00 26.49 N ATOM 0 H LYS B 79 -0.475 2.134 -8.802 1.00 14.47 H new ATOM 0 HA LYS B 79 -1.592 0.559 -7.019 1.00 15.95 H new ATOM 0 HB2 LYS B 79 -0.303 -1.372 -7.368 1.00 17.04 H new ATOM 0 HB3 LYS B 79 -1.151 -1.114 -8.651 1.00 17.04 H new ATOM 0 HG2 LYS B 79 0.722 -0.037 -9.650 1.00 17.29 H new ATOM 0 HG3 LYS B 79 1.567 -0.354 -8.379 1.00 17.29 H new ATOM 0 HD2 LYS B 79 1.566 -2.613 -8.859 1.00 20.62 H new ATOM 0 HD3 LYS B 79 0.526 -2.417 -10.004 1.00 20.62 H new ATOM 0 HE2 LYS B 79 2.118 -1.083 -11.190 1.00 21.17 H new ATOM 0 HE3 LYS B 79 3.160 -1.350 -10.061 1.00 21.17 H new ATOM 0 HZ1 LYS B 79 3.519 -2.760 -11.802 1.00 26.49 H new ATOM 0 HZ2 LYS B 79 3.149 -3.560 -10.646 1.00 26.49 H new ATOM 0 HZ3 LYS B 79 2.179 -3.311 -11.698 1.00 26.49 H new ATOM 1444 N MET B 80 0.879 0.356 -5.893 1.00 17.95 N ATOM 1445 CA MET B 80 2.035 0.687 -5.078 1.00 20.43 C ATOM 1446 C MET B 80 2.909 -0.555 -5.165 1.00 19.10 C ATOM 1447 O MET B 80 2.420 -1.667 -4.976 1.00 19.85 O ATOM 1448 CB MET B 80 1.593 0.940 -3.632 1.00 22.17 C ATOM 1449 CG MET B 80 2.700 1.278 -2.645 1.00 26.78 C ATOM 1450 SD MET B 80 2.004 1.785 -1.029 1.00 32.37 S ATOM 1451 CE MET B 80 3.500 2.173 -0.104 1.00 30.32 C ATOM 0 H MET B 80 0.545 -0.418 -5.723 1.00 17.95 H new ATOM 0 HA MET B 80 2.498 1.486 -5.373 1.00 20.43 H new ATOM 0 HB2 MET B 80 0.951 1.667 -3.632 1.00 22.17 H new ATOM 0 HB3 MET B 80 1.129 0.151 -3.312 1.00 22.17 H new ATOM 0 HG2 MET B 80 3.278 0.508 -2.525 1.00 26.78 H new ATOM 0 HG3 MET B 80 3.250 1.992 -3.003 1.00 26.78 H new ATOM 0 HE1 MET B 80 3.260 2.565 0.750 1.00 30.32 H new ATOM 0 HE2 MET B 80 4.008 1.360 0.045 1.00 30.32 H new ATOM 0 HE3 MET B 80 4.038 2.803 -0.609 1.00 30.32 H new ATOM 1452 N ILE B 81 4.184 -0.382 -5.492 1.00 18.45 N ATOM 1453 CA ILE B 81 5.079 -1.529 -5.573 1.00 18.47 C ATOM 1454 C ILE B 81 5.870 -1.573 -4.282 1.00 17.83 C ATOM 1455 O ILE B 81 6.167 -0.528 -3.702 1.00 19.36 O ATOM 1456 CB ILE B 81 6.054 -1.422 -6.767 1.00 19.08 C ATOM 1457 CG1 ILE B 81 6.958 -0.197 -6.607 1.00 21.29 C ATOM 1458 CG2 ILE B 81 5.268 -1.335 -8.064 1.00 20.61 C ATOM 1459 CD1 ILE B 81 8.084 -0.131 -7.629 1.00 21.30 C ATOM 0 H ILE B 81 4.546 0.378 -5.668 1.00 18.45 H new ATOM 0 HA ILE B 81 4.554 -2.334 -5.705 1.00 18.47 H new ATOM 0 HB ILE B 81 6.614 -2.214 -6.791 1.00 19.08 H new ATOM 0 HG12 ILE B 81 6.418 0.605 -6.680 1.00 21.29 H new ATOM 0 HG13 ILE B 81 7.341 -0.201 -5.716 1.00 21.29 H new ATOM 0 HG21 ILE B 81 5.883 -1.268 -8.811 1.00 20.61 H new ATOM 0 HG22 ILE B 81 4.722 -2.130 -8.166 1.00 20.61 H new ATOM 0 HG23 ILE B 81 4.697 -0.551 -8.045 1.00 20.61 H new ATOM 0 HD11 ILE B 81 8.617 0.665 -7.473 1.00 21.30 H new ATOM 0 HD12 ILE B 81 8.645 -0.917 -7.543 1.00 21.30 H new ATOM 0 HD13 ILE B 81 7.709 -0.098 -8.523 1.00 21.30 H new ATOM 1460 N PHE B 82 6.198 -2.779 -3.829 1.00 16.98 N ATOM 1461 CA PHE B 82 6.946 -2.962 -2.589 1.00 15.32 C ATOM 1462 C PHE B 82 8.409 -2.615 -2.796 1.00 16.21 C ATOM 1463 O PHE B 82 9.088 -3.200 -3.640 1.00 17.15 O ATOM 1464 CB PHE B 82 6.809 -4.409 -2.108 1.00 13.44 C ATOM 1465 CG PHE B 82 5.389 -4.836 -1.905 1.00 11.72 C ATOM 1466 CD1 PHE B 82 4.897 -5.983 -2.524 1.00 11.50 C ATOM 1467 CD2 PHE B 82 4.526 -4.068 -1.124 1.00 9.77 C ATOM 1468 CE1 PHE B 82 3.561 -6.360 -2.377 1.00 7.56 C ATOM 1469 CE2 PHE B 82 3.192 -4.432 -0.969 1.00 7.82 C ATOM 1470 CZ PHE B 82 2.707 -5.578 -1.596 1.00 9.54 C ATOM 0 H PHE B 82 5.994 -3.512 -4.230 1.00 16.98 H new ATOM 0 HA PHE B 82 6.582 -2.368 -1.914 1.00 15.32 H new ATOM 0 HB2 PHE B 82 7.228 -4.999 -2.754 1.00 13.44 H new ATOM 0 HB3 PHE B 82 7.293 -4.513 -1.274 1.00 13.44 H new ATOM 0 HD1 PHE B 82 5.466 -6.505 -3.042 1.00 11.50 H new ATOM 0 HD2 PHE B 82 4.846 -3.304 -0.702 1.00 9.77 H new ATOM 0 HE1 PHE B 82 3.242 -7.126 -2.796 1.00 7.56 H new ATOM 0 HE2 PHE B 82 2.625 -3.911 -0.448 1.00 7.82 H new ATOM 0 HZ PHE B 82 1.815 -5.822 -1.495 1.00 9.54 H new ATOM 1471 N ALA B 83 8.892 -1.648 -2.027 1.00 15.53 N ATOM 1472 CA ALA B 83 10.277 -1.233 -2.146 1.00 12.48 C ATOM 1473 C ALA B 83 11.180 -2.328 -1.609 1.00 13.23 C ATOM 1474 O ALA B 83 10.877 -2.965 -0.591 1.00 9.93 O ATOM 1475 CB ALA B 83 10.500 0.052 -1.382 1.00 12.40 C ATOM 0 H ALA B 83 8.436 -1.223 -1.434 1.00 15.53 H new ATOM 0 HA ALA B 83 10.487 -1.077 -3.080 1.00 12.48 H new ATOM 0 HB1 ALA B 83 11.428 0.322 -1.467 1.00 12.40 H new ATOM 0 HB2 ALA B 83 9.927 0.747 -1.743 1.00 12.40 H new ATOM 0 HB3 ALA B 83 10.288 -0.087 -0.446 1.00 12.40 H new ATOM 1476 N GLY B 84 12.287 -2.557 -2.308 1.00 12.22 N ATOM 1477 CA GLY B 84 13.225 -3.564 -1.867 1.00 11.88 C ATOM 1478 C GLY B 84 14.188 -2.975 -0.857 1.00 13.00 C ATOM 1479 O GLY B 84 14.292 -1.749 -0.726 1.00 13.53 O ATOM 0 H GLY B 84 12.506 -2.144 -3.030 1.00 12.22 H new ATOM 0 HA2 GLY B 84 12.747 -4.310 -1.472 1.00 11.88 H new ATOM 0 HA3 GLY B 84 13.716 -3.913 -2.627 1.00 11.88 H new ATOM 1480 N ILE B 85 14.879 -3.855 -0.138 1.00 12.41 N ATOM 1481 CA ILE B 85 15.871 -3.475 0.861 1.00 13.08 C ATOM 1482 C ILE B 85 17.228 -3.787 0.223 1.00 12.18 C ATOM 1483 O ILE B 85 17.775 -4.875 0.404 1.00 13.38 O ATOM 1484 CB ILE B 85 15.692 -4.306 2.159 1.00 13.21 C ATOM 1485 CG1 ILE B 85 14.279 -4.109 2.713 1.00 13.92 C ATOM 1486 CG2 ILE B 85 16.725 -3.900 3.196 1.00 11.36 C ATOM 1487 CD1 ILE B 85 13.915 -2.661 2.991 1.00 16.60 C ATOM 0 H ILE B 85 14.782 -4.706 -0.219 1.00 12.41 H new ATOM 0 HA ILE B 85 15.787 -2.541 1.109 1.00 13.08 H new ATOM 0 HB ILE B 85 15.821 -5.244 1.949 1.00 13.21 H new ATOM 0 HG12 ILE B 85 13.641 -4.477 2.082 1.00 13.92 H new ATOM 0 HG13 ILE B 85 14.191 -4.617 3.534 1.00 13.92 H new ATOM 0 HG21 ILE B 85 16.601 -4.427 4.001 1.00 11.36 H new ATOM 0 HG22 ILE B 85 17.615 -4.054 2.843 1.00 11.36 H new ATOM 0 HG23 ILE B 85 16.619 -2.959 3.407 1.00 11.36 H new ATOM 0 HD11 ILE B 85 13.010 -2.615 3.338 1.00 16.60 H new ATOM 0 HD12 ILE B 85 14.530 -2.292 3.644 1.00 16.60 H new ATOM 0 HD13 ILE B 85 13.972 -2.149 2.169 1.00 16.60 H new ATOM 1488 N LYS B 86 17.747 -2.825 -0.535 1.00 14.36 N ATOM 1489 CA LYS B 86 19.011 -2.967 -1.263 1.00 14.97 C ATOM 1490 C LYS B 86 20.231 -3.414 -0.467 1.00 15.36 C ATOM 1491 O LYS B 86 21.053 -4.176 -0.969 1.00 16.78 O ATOM 1492 CB LYS B 86 19.354 -1.652 -1.971 0.50 14.84 C ATOM 1493 CG LYS B 86 18.626 -1.402 -3.284 0.50 16.25 C ATOM 1494 CD LYS B 86 17.120 -1.372 -3.118 0.50 16.57 C ATOM 1495 CE LYS B 86 16.506 -2.720 -3.443 0.50 17.71 C ATOM 1496 NZ LYS B 86 16.685 -3.085 -4.878 0.50 17.04 N ATOM 0 H LYS B 86 17.371 -2.059 -0.644 1.00 14.36 H new ATOM 0 HA LYS B 86 18.832 -3.696 -1.877 1.00 14.97 H new ATOM 0 HB2 LYS B 86 19.160 -0.918 -1.367 0.50 14.84 H new ATOM 0 HB3 LYS B 86 20.309 -1.634 -2.141 0.50 14.84 H new ATOM 0 HG2 LYS B 86 18.924 -0.559 -3.660 0.50 16.25 H new ATOM 0 HG3 LYS B 86 18.864 -2.095 -3.919 0.50 16.25 H new ATOM 0 HD2 LYS B 86 16.897 -1.123 -2.207 0.50 16.57 H new ATOM 0 HD3 LYS B 86 16.741 -0.693 -3.698 0.50 16.57 H new ATOM 0 HE2 LYS B 86 16.910 -3.402 -2.884 0.50 17.71 H new ATOM 0 HE3 LYS B 86 15.560 -2.703 -3.230 0.50 17.71 H new ATOM 0 HZ1 LYS B 86 16.036 -3.641 -5.126 0.50 17.04 H new ATOM 0 HZ2 LYS B 86 16.652 -2.349 -5.378 0.50 17.04 H new ATOM 0 HZ3 LYS B 86 17.474 -3.482 -4.987 0.50 17.04 H new ATOM 1497 N LYS B 87 20.351 -2.933 0.766 1.00 15.38 N ATOM 1498 CA LYS B 87 21.492 -3.253 1.622 1.00 14.10 C ATOM 1499 C LYS B 87 21.464 -4.685 2.169 1.00 15.41 C ATOM 1500 O LYS B 87 20.603 -5.046 2.972 1.00 16.11 O ATOM 1501 CB LYS B 87 21.544 -2.245 2.770 0.50 11.74 C ATOM 1502 CG LYS B 87 22.929 -1.955 3.309 0.50 8.67 C ATOM 1503 CD LYS B 87 22.880 -0.730 4.196 0.50 5.88 C ATOM 1504 CE LYS B 87 24.220 -0.437 4.832 0.50 4.88 C ATOM 1505 NZ LYS B 87 24.105 0.704 5.777 0.50 2.96 N ATOM 0 H LYS B 87 19.773 -2.411 1.132 1.00 15.38 H new ATOM 0 HA LYS B 87 22.292 -3.195 1.076 1.00 14.10 H new ATOM 0 HB2 LYS B 87 21.149 -1.412 2.469 0.50 11.74 H new ATOM 0 HB3 LYS B 87 20.992 -2.575 3.496 0.50 11.74 H new ATOM 0 HG2 LYS B 87 23.257 -2.717 3.812 0.50 8.67 H new ATOM 0 HG3 LYS B 87 23.548 -1.811 2.576 0.50 8.67 H new ATOM 0 HD2 LYS B 87 22.597 0.036 3.673 0.50 5.88 H new ATOM 0 HD3 LYS B 87 22.215 -0.861 4.890 0.50 5.88 H new ATOM 0 HE2 LYS B 87 24.541 -1.223 5.302 0.50 4.88 H new ATOM 0 HE3 LYS B 87 24.873 -0.231 4.145 0.50 4.88 H new ATOM 0 HZ1 LYS B 87 24.738 0.639 6.399 0.50 2.96 H new ATOM 0 HZ2 LYS B 87 24.203 1.469 5.333 0.50 2.96 H new ATOM 0 HZ3 LYS B 87 23.305 0.688 6.166 0.50 2.96 H new ATOM 1506 N LYS B 88 22.422 -5.491 1.723 1.00 16.25 N ATOM 1507 CA LYS B 88 22.540 -6.885 2.137 1.00 16.95 C ATOM 1508 C LYS B 88 22.493 -7.075 3.655 1.00 17.08 C ATOM 1509 O LYS B 88 21.832 -7.988 4.148 1.00 15.20 O ATOM 1510 CB LYS B 88 23.835 -7.469 1.572 1.00 17.93 C ATOM 1511 CG LYS B 88 24.097 -8.916 1.928 1.00 18.15 C ATOM 1512 CD LYS B 88 25.134 -9.498 0.975 1.00 21.78 C ATOM 1513 CE LYS B 88 25.574 -10.904 1.374 1.00 22.81 C ATOM 1514 NZ LYS B 88 26.406 -10.893 2.612 1.00 25.53 N ATOM 0 H LYS B 88 23.028 -5.242 1.166 1.00 16.25 H new ATOM 0 HA LYS B 88 21.770 -7.356 1.782 1.00 16.95 H new ATOM 0 HB2 LYS B 88 23.816 -7.387 0.606 1.00 17.93 H new ATOM 0 HB3 LYS B 88 24.579 -6.933 1.887 1.00 17.93 H new ATOM 0 HG2 LYS B 88 24.413 -8.981 2.843 1.00 18.15 H new ATOM 0 HG3 LYS B 88 23.273 -9.426 1.875 1.00 18.15 H new ATOM 0 HD2 LYS B 88 24.767 -9.520 0.077 1.00 21.78 H new ATOM 0 HD3 LYS B 88 25.909 -8.915 0.950 1.00 21.78 H new ATOM 0 HE2 LYS B 88 24.792 -11.460 1.515 1.00 22.81 H new ATOM 0 HE3 LYS B 88 26.079 -11.303 0.648 1.00 22.81 H new ATOM 0 HZ1 LYS B 88 26.693 -11.718 2.784 1.00 25.53 H new ATOM 0 HZ2 LYS B 88 27.105 -10.354 2.496 1.00 25.53 H new ATOM 0 HZ3 LYS B 88 25.917 -10.601 3.296 1.00 25.53 H new ATOM 1515 N THR B 89 23.195 -6.214 4.387 1.00 17.36 N ATOM 1516 CA THR B 89 23.227 -6.286 5.846 1.00 18.91 C ATOM 1517 C THR B 89 21.862 -5.989 6.466 1.00 18.40 C ATOM 1518 O THR B 89 21.487 -6.595 7.469 1.00 16.37 O ATOM 1519 CB THR B 89 24.256 -5.294 6.444 1.00 21.17 C ATOM 1520 OG1 THR B 89 24.082 -4.003 5.844 1.00 23.96 O ATOM 1521 CG2 THR B 89 25.681 -5.788 6.206 1.00 21.77 C ATOM 0 H THR B 89 23.664 -5.575 4.054 1.00 17.36 H new ATOM 0 HA THR B 89 23.485 -7.196 6.059 1.00 18.91 H new ATOM 0 HB THR B 89 24.109 -5.231 7.401 1.00 21.17 H new ATOM 0 HG1 THR B 89 24.730 -3.841 5.335 1.00 23.96 H new ATOM 0 HG21 THR B 89 26.311 -5.156 6.586 1.00 21.77 H new ATOM 0 HG22 THR B 89 25.798 -6.654 6.628 1.00 21.77 H new ATOM 0 HG23 THR B 89 25.841 -5.869 5.253 1.00 21.77 H new ATOM 1522 N GLU B 90 21.121 -5.054 5.874 1.00 16.84 N ATOM 1523 CA GLU B 90 19.805 -4.717 6.394 1.00 14.53 C ATOM 1524 C GLU B 90 18.872 -5.907 6.199 1.00 14.35 C ATOM 1525 O GLU B 90 18.117 -6.263 7.104 1.00 14.05 O ATOM 1526 CB GLU B 90 19.246 -3.472 5.698 1.00 14.29 C ATOM 1527 CG GLU B 90 20.089 -2.215 5.902 1.00 13.89 C ATOM 1528 CD GLU B 90 19.339 -0.931 5.566 1.00 17.35 C ATOM 1529 OE1 GLU B 90 18.435 -0.966 4.702 1.00 17.89 O ATOM 1530 OE2 GLU B 90 19.663 0.122 6.157 1.00 18.15 O ATOM 0 H GLU B 90 21.361 -4.609 5.178 1.00 16.84 H new ATOM 0 HA GLU B 90 19.878 -4.516 7.340 1.00 14.53 H new ATOM 0 HB2 GLU B 90 19.172 -3.650 4.747 1.00 14.29 H new ATOM 0 HB3 GLU B 90 18.348 -3.305 6.026 1.00 14.29 H new ATOM 0 HG2 GLU B 90 20.386 -2.178 6.825 1.00 13.89 H new ATOM 0 HG3 GLU B 90 20.884 -2.272 5.350 1.00 13.89 H new ATOM 1531 N ARG B 91 18.931 -6.526 5.024 1.00 12.56 N ATOM 1532 CA ARG B 91 18.100 -7.690 4.745 1.00 13.99 C ATOM 1533 C ARG B 91 18.385 -8.808 5.745 1.00 15.38 C ATOM 1534 O ARG B 91 17.467 -9.501 6.189 1.00 15.88 O ATOM 1535 CB ARG B 91 18.342 -8.211 3.324 1.00 14.88 C ATOM 1536 CG ARG B 91 17.593 -7.451 2.235 1.00 14.53 C ATOM 1537 CD ARG B 91 17.865 -8.074 0.878 1.00 18.94 C ATOM 1538 NE ARG B 91 19.217 -7.792 0.412 1.00 22.34 N ATOM 1539 CZ ARG B 91 19.905 -8.574 -0.412 1.00 24.60 C ATOM 1540 NH1 ARG B 91 19.367 -9.701 -0.861 1.00 28.21 N ATOM 1541 NH2 ARG B 91 21.128 -8.225 -0.796 1.00 25.97 N ATOM 0 H ARG B 91 19.445 -6.288 4.377 1.00 12.56 H new ATOM 0 HA ARG B 91 17.174 -7.413 4.827 1.00 13.99 H new ATOM 0 HB2 ARG B 91 19.293 -8.171 3.135 1.00 14.88 H new ATOM 0 HB3 ARG B 91 18.084 -9.145 3.286 1.00 14.88 H new ATOM 0 HG2 ARG B 91 16.641 -7.464 2.419 1.00 14.53 H new ATOM 0 HG3 ARG B 91 17.869 -6.521 2.232 1.00 14.53 H new ATOM 0 HD2 ARG B 91 17.735 -9.034 0.931 1.00 18.94 H new ATOM 0 HD3 ARG B 91 17.224 -7.736 0.233 1.00 18.94 H new ATOM 0 HE ARG B 91 19.595 -7.071 0.689 1.00 22.34 H new ATOM 0 HH11 ARG B 91 18.573 -9.925 -0.618 1.00 28.21 H new ATOM 0 HH12 ARG B 91 19.812 -10.207 -1.395 1.00 28.21 H new ATOM 0 HH21 ARG B 91 21.475 -7.492 -0.511 1.00 25.97 H new ATOM 0 HH22 ARG B 91 21.572 -8.732 -1.330 1.00 25.97 H new ATOM 1542 N GLU B 92 19.657 -8.988 6.092 1.00 15.69 N ATOM 1543 CA GLU B 92 20.035 -10.019 7.051 1.00 15.88 C ATOM 1544 C GLU B 92 19.472 -9.663 8.421 1.00 14.56 C ATOM 1545 O GLU B 92 18.817 -10.484 9.068 1.00 13.00 O ATOM 1546 CB GLU B 92 21.553 -10.141 7.145 1.00 18.62 C ATOM 1547 CG GLU B 92 22.238 -10.407 5.813 1.00 24.74 C ATOM 1548 CD GLU B 92 23.733 -10.633 5.966 1.00 27.31 C ATOM 1549 OE1 GLU B 92 24.119 -11.684 6.523 1.00 31.37 O ATOM 1550 OE2 GLU B 92 24.521 -9.763 5.535 1.00 27.30 O ATOM 0 H GLU B 92 20.313 -8.525 5.784 1.00 15.69 H new ATOM 0 HA GLU B 92 19.674 -10.868 6.752 1.00 15.88 H new ATOM 0 HB2 GLU B 92 21.911 -9.323 7.524 1.00 18.62 H new ATOM 0 HB3 GLU B 92 21.773 -10.858 7.760 1.00 18.62 H new ATOM 0 HG2 GLU B 92 21.837 -11.185 5.395 1.00 24.74 H new ATOM 0 HG3 GLU B 92 22.086 -9.656 5.218 1.00 24.74 H new ATOM 1551 N ASP B 93 19.727 -8.433 8.857 1.00 12.61 N ATOM 1552 CA ASP B 93 19.237 -7.976 10.147 1.00 10.64 C ATOM 1553 C ASP B 93 17.726 -8.085 10.239 1.00 10.25 C ATOM 1554 O ASP B 93 17.197 -8.582 11.231 1.00 10.81 O ATOM 1555 CB ASP B 93 19.660 -6.536 10.402 1.00 11.79 C ATOM 1556 CG ASP B 93 21.154 -6.402 10.587 1.00 12.49 C ATOM 1557 OD1 ASP B 93 21.785 -7.407 10.982 1.00 7.43 O ATOM 1558 OD2 ASP B 93 21.689 -5.294 10.346 1.00 15.16 O ATOM 0 H ASP B 93 20.182 -7.849 8.419 1.00 12.61 H new ATOM 0 HA ASP B 93 19.628 -8.551 10.824 1.00 10.64 H new ATOM 0 HB2 ASP B 93 19.377 -5.981 9.658 1.00 11.79 H new ATOM 0 HB3 ASP B 93 19.207 -6.203 11.192 1.00 11.79 H new ATOM 1559 N LEU B 94 17.035 -7.626 9.199 1.00 9.03 N ATOM 1560 CA LEU B 94 15.583 -7.685 9.175 1.00 5.84 C ATOM 1561 C LEU B 94 15.108 -9.126 9.310 1.00 5.50 C ATOM 1562 O LEU B 94 14.174 -9.412 10.061 1.00 5.85 O ATOM 1563 CB LEU B 94 15.042 -7.098 7.876 1.00 2.41 C ATOM 1564 CG LEU B 94 13.523 -7.260 7.713 1.00 5.26 C ATOM 1565 CD1 LEU B 94 12.790 -6.559 8.864 1.00 3.48 C ATOM 1566 CD2 LEU B 94 13.087 -6.704 6.359 1.00 5.91 C ATOM 0 H LEU B 94 17.391 -7.277 8.498 1.00 9.03 H new ATOM 0 HA LEU B 94 15.250 -7.164 9.923 1.00 5.84 H new ATOM 0 HB2 LEU B 94 15.265 -6.155 7.839 1.00 2.41 H new ATOM 0 HB3 LEU B 94 15.487 -7.524 7.127 1.00 2.41 H new ATOM 0 HG LEU B 94 13.294 -8.202 7.744 1.00 5.26 H new ATOM 0 HD11 LEU B 94 11.833 -6.667 8.752 1.00 3.48 H new ATOM 0 HD12 LEU B 94 13.063 -6.951 9.708 1.00 3.48 H new ATOM 0 HD13 LEU B 94 13.011 -5.614 8.861 1.00 3.48 H new ATOM 0 HD21 LEU B 94 12.128 -6.808 6.260 1.00 5.91 H new ATOM 0 HD22 LEU B 94 13.317 -5.763 6.306 1.00 5.91 H new ATOM 0 HD23 LEU B 94 13.539 -7.187 5.650 1.00 5.91 H new ATOM 1567 N ILE B 95 15.759 -10.031 8.585 1.00 6.16 N ATOM 1568 CA ILE B 95 15.390 -11.441 8.613 1.00 6.46 C ATOM 1569 C ILE B 95 15.590 -12.074 9.990 1.00 7.69 C ATOM 1570 O ILE B 95 14.771 -12.886 10.427 1.00 9.36 O ATOM 1571 CB ILE B 95 16.154 -12.220 7.513 1.00 7.50 C ATOM 1572 CG1 ILE B 95 15.601 -11.800 6.146 1.00 8.57 C ATOM 1573 CG2 ILE B 95 16.017 -13.726 7.721 1.00 5.41 C ATOM 1574 CD1 ILE B 95 16.174 -12.549 4.951 1.00 10.01 C ATOM 0 H ILE B 95 16.421 -9.847 8.068 1.00 6.16 H new ATOM 0 HA ILE B 95 14.440 -11.496 8.427 1.00 6.46 H new ATOM 0 HB ILE B 95 17.100 -12.010 7.558 1.00 7.50 H new ATOM 0 HG12 ILE B 95 14.639 -11.921 6.153 1.00 8.57 H new ATOM 0 HG13 ILE B 95 15.767 -10.852 6.024 1.00 8.57 H new ATOM 0 HG21 ILE B 95 16.501 -14.195 7.023 1.00 5.41 H new ATOM 0 HG22 ILE B 95 16.383 -13.968 8.586 1.00 5.41 H new ATOM 0 HG23 ILE B 95 15.080 -13.974 7.686 1.00 5.41 H new ATOM 0 HD11 ILE B 95 15.767 -12.217 4.135 1.00 10.01 H new ATOM 0 HD12 ILE B 95 17.133 -12.411 4.912 1.00 10.01 H new ATOM 0 HD13 ILE B 95 15.987 -13.496 5.043 1.00 10.01 H new ATOM 1575 N ALA B 96 16.660 -11.697 10.685 1.00 7.19 N ATOM 1576 CA ALA B 96 16.893 -12.225 12.027 1.00 8.24 C ATOM 1577 C ALA B 96 15.744 -11.778 12.939 1.00 7.16 C ATOM 1578 O ALA B 96 15.187 -12.576 13.688 1.00 7.22 O ATOM 1579 CB ALA B 96 18.229 -11.721 12.577 1.00 7.94 C ATOM 0 H ALA B 96 17.256 -11.144 10.403 1.00 7.19 H new ATOM 0 HA ALA B 96 16.928 -13.194 11.992 1.00 8.24 H new ATOM 0 HB1 ALA B 96 18.369 -12.080 13.467 1.00 7.94 H new ATOM 0 HB2 ALA B 96 18.949 -12.011 11.995 1.00 7.94 H new ATOM 0 HB3 ALA B 96 18.218 -10.752 12.618 1.00 7.94 H new ATOM 1580 N TYR B 97 15.390 -10.498 12.881 1.00 6.13 N ATOM 1581 CA TYR B 97 14.295 -10.006 13.716 1.00 4.51 C ATOM 1582 C TYR B 97 12.998 -10.769 13.423 1.00 5.91 C ATOM 1583 O TYR B 97 12.273 -11.157 14.345 1.00 6.05 O ATOM 1584 CB TYR B 97 14.045 -8.512 13.480 1.00 2.73 C ATOM 1585 CG TYR B 97 12.788 -8.030 14.178 1.00 2.56 C ATOM 1586 CD1 TYR B 97 12.762 -7.854 15.569 1.00 1.71 C ATOM 1587 CD2 TYR B 97 11.596 -7.871 13.472 1.00 1.71 C ATOM 1588 CE1 TYR B 97 11.580 -7.547 16.236 1.00 1.71 C ATOM 1589 CE2 TYR B 97 10.402 -7.562 14.132 1.00 2.36 C ATOM 1590 CZ TYR B 97 10.403 -7.410 15.512 1.00 3.63 C ATOM 1591 OH TYR B 97 9.223 -7.176 16.175 1.00 4.15 O ATOM 0 H TYR B 97 15.761 -9.908 12.377 1.00 6.13 H new ATOM 0 HA TYR B 97 14.557 -10.147 14.639 1.00 4.51 H new ATOM 0 HB2 TYR B 97 14.807 -8.003 13.799 1.00 2.73 H new ATOM 0 HB3 TYR B 97 13.970 -8.344 12.528 1.00 2.73 H new ATOM 0 HD1 TYR B 97 13.550 -7.944 16.055 1.00 1.71 H new ATOM 0 HD2 TYR B 97 11.595 -7.972 12.548 1.00 1.71 H new ATOM 0 HE1 TYR B 97 11.578 -7.434 17.159 1.00 1.71 H new ATOM 0 HE2 TYR B 97 9.613 -7.459 13.650 1.00 2.36 H new ATOM 0 HH TYR B 97 9.263 -7.509 16.945 1.00 4.15 H new ATOM 1592 N LEU B 98 12.704 -10.967 12.136 1.00 6.43 N ATOM 1593 CA LEU B 98 11.491 -11.672 11.725 1.00 6.39 C ATOM 1594 C LEU B 98 11.533 -13.098 12.245 1.00 7.64 C ATOM 1595 O LEU B 98 10.530 -13.613 12.730 1.00 8.84 O ATOM 1596 CB LEU B 98 11.349 -11.684 10.194 1.00 6.28 C ATOM 1597 CG LEU B 98 11.020 -10.376 9.462 1.00 6.14 C ATOM 1598 CD1 LEU B 98 11.184 -10.564 7.968 1.00 4.07 C ATOM 1599 CD2 LEU B 98 9.590 -9.949 9.779 1.00 6.68 C ATOM 0 H LEU B 98 13.197 -10.699 11.484 1.00 6.43 H new ATOM 0 HA LEU B 98 10.725 -11.207 12.097 1.00 6.39 H new ATOM 0 HB2 LEU B 98 12.180 -12.023 9.826 1.00 6.28 H new ATOM 0 HB3 LEU B 98 10.657 -12.326 9.970 1.00 6.28 H new ATOM 0 HG LEU B 98 11.630 -9.684 9.761 1.00 6.14 H new ATOM 0 HD11 LEU B 98 10.974 -9.734 7.512 1.00 4.07 H new ATOM 0 HD12 LEU B 98 12.100 -10.818 7.772 1.00 4.07 H new ATOM 0 HD13 LEU B 98 10.583 -11.261 7.661 1.00 4.07 H new ATOM 0 HD21 LEU B 98 9.388 -9.122 9.314 1.00 6.68 H new ATOM 0 HD22 LEU B 98 8.974 -10.641 9.490 1.00 6.68 H new ATOM 0 HD23 LEU B 98 9.497 -9.812 10.735 1.00 6.68 H new ATOM 1600 N LYS B 99 12.695 -13.734 12.141 1.00 7.09 N ATOM 1601 CA LYS B 99 12.832 -15.101 12.622 1.00 9.99 C ATOM 1602 C LYS B 99 12.515 -15.181 14.114 1.00 9.89 C ATOM 1603 O LYS B 99 11.922 -16.152 14.574 1.00 11.25 O ATOM 1604 CB LYS B 99 14.245 -15.640 12.361 1.00 10.23 C ATOM 1605 CG LYS B 99 14.442 -17.076 12.864 1.00 11.71 C ATOM 1606 CD LYS B 99 15.612 -17.761 12.188 1.00 13.11 C ATOM 1607 CE LYS B 99 15.653 -19.242 12.548 1.00 15.82 C ATOM 1608 NZ LYS B 99 16.651 -19.995 11.742 1.00 15.93 N ATOM 0 H LYS B 99 13.408 -13.396 11.799 1.00 7.09 H new ATOM 0 HA LYS B 99 12.198 -15.650 12.134 1.00 9.99 H new ATOM 0 HB2 LYS B 99 14.427 -15.609 11.409 1.00 10.23 H new ATOM 0 HB3 LYS B 99 14.892 -15.060 12.793 1.00 10.23 H new ATOM 0 HG2 LYS B 99 14.586 -17.065 13.823 1.00 11.71 H new ATOM 0 HG3 LYS B 99 13.633 -17.587 12.704 1.00 11.71 H new ATOM 0 HD2 LYS B 99 15.540 -17.659 11.226 1.00 13.11 H new ATOM 0 HD3 LYS B 99 16.441 -17.335 12.457 1.00 13.11 H new ATOM 0 HE2 LYS B 99 15.864 -19.337 13.490 1.00 15.82 H new ATOM 0 HE3 LYS B 99 14.774 -19.629 12.413 1.00 15.82 H new ATOM 0 HZ1 LYS B 99 16.498 -20.868 11.819 1.00 15.93 H new ATOM 0 HZ2 LYS B 99 16.583 -19.757 10.887 1.00 15.93 H new ATOM 0 HZ3 LYS B 99 17.470 -19.811 12.036 1.00 15.93 H new ATOM 1609 N LYS B 100 12.893 -14.149 14.861 1.00 10.56 N ATOM 1610 CA LYS B 100 12.642 -14.114 16.300 1.00 10.48 C ATOM 1611 C LYS B 100 11.181 -13.815 16.626 1.00 10.90 C ATOM 1612 O LYS B 100 10.526 -14.564 17.356 1.00 11.57 O ATOM 1613 CB LYS B 100 13.527 -13.055 16.960 1.00 9.22 C ATOM 1614 CG LYS B 100 13.295 -12.868 18.467 1.00 9.66 C ATOM 1615 CD LYS B 100 14.111 -11.688 19.004 1.00 7.46 C ATOM 1616 CE LYS B 100 13.951 -11.525 20.506 1.00 6.35 C ATOM 1617 NZ LYS B 100 12.538 -11.321 20.910 1.00 7.76 N ATOM 0 H LYS B 100 13.298 -13.456 14.553 1.00 10.56 H new ATOM 0 HA LYS B 100 12.853 -14.995 16.647 1.00 10.48 H new ATOM 0 HB2 LYS B 100 14.456 -13.293 16.816 1.00 9.22 H new ATOM 0 HB3 LYS B 100 13.379 -12.206 16.515 1.00 9.22 H new ATOM 0 HG2 LYS B 100 12.352 -12.718 18.637 1.00 9.66 H new ATOM 0 HG3 LYS B 100 13.542 -13.678 18.939 1.00 9.66 H new ATOM 0 HD2 LYS B 100 15.048 -11.820 18.791 1.00 7.46 H new ATOM 0 HD3 LYS B 100 13.831 -10.873 18.559 1.00 7.46 H new ATOM 0 HE2 LYS B 100 14.301 -12.312 20.952 1.00 6.35 H new ATOM 0 HE3 LYS B 100 14.482 -10.770 20.804 1.00 6.35 H new ATOM 0 HZ1 LYS B 100 12.511 -10.937 21.712 1.00 7.76 H new ATOM 0 HZ2 LYS B 100 12.132 -10.797 20.316 1.00 7.76 H new ATOM 0 HZ3 LYS B 100 12.122 -12.107 20.944 1.00 7.76 H new ATOM 1618 N ALA B 101 10.685 -12.716 16.068 1.00 9.35 N ATOM 1619 CA ALA B 101 9.324 -12.254 16.299 1.00 9.43 C ATOM 1620 C ALA B 101 8.190 -13.124 15.752 1.00 7.54 C ATOM 1621 O ALA B 101 7.095 -13.124 16.306 1.00 3.63 O ATOM 1622 CB ALA B 101 9.176 -10.819 15.766 1.00 10.94 C ATOM 0 H ALA B 101 11.137 -12.212 15.538 1.00 9.35 H new ATOM 0 HA ALA B 101 9.215 -12.307 17.261 1.00 9.43 H new ATOM 0 HB1 ALA B 101 8.270 -10.509 15.919 1.00 10.94 H new ATOM 0 HB2 ALA B 101 9.799 -10.236 16.228 1.00 10.94 H new ATOM 0 HB3 ALA B 101 9.366 -10.806 14.815 1.00 10.94 H new ATOM 1623 N THR B 102 8.429 -13.862 14.673 1.00 7.96 N ATOM 1624 CA THR B 102 7.357 -14.688 14.123 1.00 7.39 C ATOM 1625 C THR B 102 7.270 -16.089 14.724 1.00 7.87 C ATOM 1626 O THR B 102 6.374 -16.854 14.375 1.00 7.60 O ATOM 1627 CB THR B 102 7.461 -14.804 12.592 1.00 7.26 C ATOM 1628 OG1 THR B 102 8.696 -15.436 12.241 1.00 4.39 O ATOM 1629 CG2 THR B 102 7.389 -13.415 11.954 1.00 4.75 C ATOM 0 H THR B 102 9.179 -13.900 14.255 1.00 7.96 H new ATOM 0 HA THR B 102 6.543 -14.221 14.369 1.00 7.39 H new ATOM 0 HB THR B 102 6.722 -15.339 12.263 1.00 7.26 H new ATOM 0 HG1 THR B 102 9.337 -14.935 12.450 1.00 4.39 H new ATOM 0 HG21 THR B 102 7.455 -13.498 10.990 1.00 4.75 H new ATOM 0 HG22 THR B 102 6.545 -12.996 12.185 1.00 4.75 H new ATOM 0 HG23 THR B 102 8.121 -12.870 12.282 1.00 4.75 H new ATOM 1630 N ASN B 103 8.203 -16.421 15.616 1.00 7.69 N ATOM 1631 CA ASN B 103 8.212 -17.721 16.295 1.00 10.24 C ATOM 1632 C ASN B 103 7.852 -17.555 17.780 1.00 9.72 C ATOM 1633 O ASN B 103 7.295 -18.458 18.400 1.00 11.04 O ATOM 1634 CB ASN B 103 9.598 -18.392 16.212 1.00 9.77 C ATOM 1635 CG ASN B 103 9.844 -19.104 14.890 1.00 14.41 C ATOM 1636 OD1 ASN B 103 8.913 -19.420 14.151 1.00 17.34 O ATOM 1637 ND2 ASN B 103 11.110 -19.378 14.597 1.00 15.03 N ATOM 0 H ASN B 103 8.848 -15.901 15.845 1.00 7.69 H new ATOM 0 HA ASN B 103 7.556 -18.278 15.847 1.00 10.24 H new ATOM 0 HB2 ASN B 103 10.284 -17.719 16.342 1.00 9.77 H new ATOM 0 HB3 ASN B 103 9.685 -19.030 16.937 1.00 9.77 H new ATOM 0 HD21 ASN B 103 11.303 -19.791 13.868 1.00 15.03 H new ATOM 0 HD22 ASN B 103 11.737 -19.142 15.137 1.00 15.03 H new ATOM 1638 N GLU B 104 8.190 -16.405 18.351 1.00 10.80 N ATOM 1639 CA GLU B 104 7.932 -16.145 19.766 1.00 11.11 C ATOM 1640 C GLU B 104 6.493 -15.736 20.042 1.00 11.97 C ATOM 1641 O GLU B 104 5.721 -15.567 19.072 1.00 11.87 O ATOM 1642 CB GLU B 104 8.870 -15.051 20.276 1.00 9.29 C ATOM 1643 CG GLU B 104 8.540 -13.685 19.715 1.00 9.49 C ATOM 1644 CD GLU B 104 9.578 -12.640 20.060 1.00 10.72 C ATOM 1645 OE1 GLU B 104 9.383 -11.478 19.652 1.00 11.97 O ATOM 1646 OE2 GLU B 104 10.586 -12.971 20.727 1.00 7.70 O ATOM 1647 OXT GLU B 104 6.166 -15.577 21.238 1.00 11.69 O ATOM 0 H GLU B 104 8.572 -15.757 17.935 1.00 10.80 H new ATOM 0 HA GLU B 104 8.093 -16.979 20.234 1.00 11.11 H new ATOM 0 HB2 GLU B 104 8.824 -15.018 21.244 1.00 9.29 H new ATOM 0 HB3 GLU B 104 9.783 -15.280 20.043 1.00 9.29 H new ATOM 0 HG2 GLU B 104 8.459 -13.748 18.750 1.00 9.49 H new ATOM 0 HG3 GLU B 104 7.677 -13.401 20.054 1.00 9.49 H new TER 1648 GLU B 104 ATOM 1649 N GLY C 1 42.923 25.541 14.823 1.00 19.86 N ATOM 1650 CA GLY C 1 42.555 24.098 15.021 1.00 20.48 C ATOM 1651 C GLY C 1 42.345 23.354 13.713 1.00 19.78 C ATOM 1652 O GLY C 1 42.264 23.979 12.655 1.00 18.34 O ATOM 0 H1 GLY C 1 43.749 25.681 15.125 1.00 19.86 H new ATOM 0 H2 GLY C 1 42.886 25.741 13.956 1.00 19.86 H new ATOM 0 H3 GLY C 1 42.353 26.057 15.270 1.00 19.86 H new ATOM 0 HA2 GLY C 1 43.254 23.658 15.529 1.00 20.48 H new ATOM 0 HA3 GLY C 1 41.744 24.046 15.551 1.00 20.48 H new ATOM 1653 N ASP C 2 42.251 22.027 13.780 1.00 20.82 N ATOM 1654 CA ASP C 2 42.054 21.207 12.581 1.00 22.11 C ATOM 1655 C ASP C 2 40.590 20.845 12.340 1.00 21.59 C ATOM 1656 O ASP C 2 40.022 20.003 13.044 1.00 20.46 O ATOM 1657 CB ASP C 2 42.870 19.915 12.669 1.00 24.12 C ATOM 1658 CG ASP C 2 42.695 19.041 11.439 1.00 27.07 C ATOM 1659 OD1 ASP C 2 41.541 18.697 11.102 1.00 27.83 O ATOM 1660 OD2 ASP C 2 43.710 18.698 10.803 1.00 29.79 O ATOM 0 H ASP C 2 42.299 21.579 14.513 1.00 20.82 H new ATOM 0 HA ASP C 2 42.356 21.749 11.836 1.00 22.11 H new ATOM 0 HB2 ASP C 2 43.809 20.134 12.777 1.00 24.12 H new ATOM 0 HB3 ASP C 2 42.602 19.418 13.458 1.00 24.12 H new ATOM 1661 N VAL C 3 39.997 21.464 11.321 1.00 21.24 N ATOM 1662 CA VAL C 3 38.597 21.244 10.975 1.00 20.14 C ATOM 1663 C VAL C 3 38.217 19.787 10.695 1.00 19.63 C ATOM 1664 O VAL C 3 37.214 19.303 11.220 1.00 19.22 O ATOM 1665 CB VAL C 3 38.188 22.134 9.765 1.00 21.98 C ATOM 1666 CG1 VAL C 3 36.780 21.786 9.290 1.00 22.62 C ATOM 1667 CG2 VAL C 3 38.245 23.608 10.171 1.00 21.87 C ATOM 0 H VAL C 3 40.399 22.026 10.809 1.00 21.24 H new ATOM 0 HA VAL C 3 38.103 21.496 11.771 1.00 20.14 H new ATOM 0 HB VAL C 3 38.808 21.971 9.037 1.00 21.98 H new ATOM 0 HG11 VAL C 3 36.544 22.350 8.537 1.00 22.62 H new ATOM 0 HG12 VAL C 3 36.751 20.855 9.018 1.00 22.62 H new ATOM 0 HG13 VAL C 3 36.149 21.931 10.013 1.00 22.62 H new ATOM 0 HG21 VAL C 3 37.990 24.162 9.417 1.00 21.87 H new ATOM 0 HG22 VAL C 3 37.634 23.765 10.908 1.00 21.87 H new ATOM 0 HG23 VAL C 3 39.147 23.833 10.447 1.00 21.87 H new ATOM 1668 N GLU C 4 39.003 19.083 9.882 1.00 19.01 N ATOM 1669 CA GLU C 4 38.683 17.687 9.572 1.00 16.88 C ATOM 1670 C GLU C 4 38.593 16.823 10.814 1.00 14.78 C ATOM 1671 O GLU C 4 37.683 16.008 10.943 1.00 15.20 O ATOM 1672 CB GLU C 4 39.709 17.057 8.618 1.00 19.32 C ATOM 1673 CG GLU C 4 39.712 15.526 8.709 1.00 21.28 C ATOM 1674 CD GLU C 4 40.535 14.842 7.642 1.00 23.56 C ATOM 1675 OE1 GLU C 4 41.710 15.222 7.458 1.00 25.69 O ATOM 1676 OE2 GLU C 4 40.006 13.911 6.994 1.00 25.34 O ATOM 0 H GLU C 4 39.714 19.386 9.505 1.00 19.01 H new ATOM 0 HA GLU C 4 37.814 17.716 9.141 1.00 16.88 H new ATOM 0 HB2 GLU C 4 39.511 17.326 7.707 1.00 19.32 H new ATOM 0 HB3 GLU C 4 40.594 17.395 8.827 1.00 19.32 H new ATOM 0 HG2 GLU C 4 40.049 15.265 9.580 1.00 21.28 H new ATOM 0 HG3 GLU C 4 38.798 15.207 8.652 1.00 21.28 H new ATOM 1677 N LYS C 5 39.538 16.987 11.729 1.00 12.55 N ATOM 1678 CA LYS C 5 39.512 16.189 12.944 1.00 13.33 C ATOM 1679 C LYS C 5 38.356 16.602 13.847 1.00 12.54 C ATOM 1680 O LYS C 5 37.737 15.761 14.491 1.00 10.55 O ATOM 1681 CB LYS C 5 40.854 16.296 13.676 1.00 15.40 C ATOM 1682 CG LYS C 5 41.989 15.602 12.923 1.00 16.31 C ATOM 1683 CD LYS C 5 43.312 15.705 13.656 1.00 17.65 C ATOM 1684 CE LYS C 5 44.403 14.942 12.912 1.00 19.22 C ATOM 1685 NZ LYS C 5 45.704 14.987 13.636 1.00 20.28 N ATOM 0 H LYS C 5 40.191 17.544 11.668 1.00 12.55 H new ATOM 0 HA LYS C 5 39.371 15.261 12.699 1.00 13.33 H new ATOM 0 HB2 LYS C 5 41.077 17.232 13.801 1.00 15.40 H new ATOM 0 HB3 LYS C 5 40.769 15.905 14.559 1.00 15.40 H new ATOM 0 HG2 LYS C 5 41.765 14.667 12.794 1.00 16.31 H new ATOM 0 HG3 LYS C 5 42.078 15.996 12.041 1.00 16.31 H new ATOM 0 HD2 LYS C 5 43.566 16.637 13.745 1.00 17.65 H new ATOM 0 HD3 LYS C 5 43.218 15.350 14.554 1.00 17.65 H new ATOM 0 HE2 LYS C 5 44.130 14.019 12.796 1.00 19.22 H new ATOM 0 HE3 LYS C 5 44.514 15.319 12.025 1.00 19.22 H new ATOM 0 HZ1 LYS C 5 46.316 14.534 13.176 1.00 20.28 H new ATOM 0 HZ2 LYS C 5 45.966 15.833 13.724 1.00 20.28 H new ATOM 0 HZ3 LYS C 5 45.608 14.621 14.442 1.00 20.28 H new ATOM 1686 N GLY C 6 38.051 17.896 13.873 1.00 12.78 N ATOM 1687 CA GLY C 6 36.953 18.370 14.695 1.00 11.97 C ATOM 1688 C GLY C 6 35.633 17.808 14.198 1.00 10.68 C ATOM 1689 O GLY C 6 34.770 17.423 14.985 1.00 12.19 O ATOM 0 H GLY C 6 38.463 18.505 13.427 1.00 12.78 H new ATOM 0 HA2 GLY C 6 37.096 18.107 15.618 1.00 11.97 H new ATOM 0 HA3 GLY C 6 36.925 19.339 14.678 1.00 11.97 H new ATOM 1690 N LYS C 7 35.474 17.759 12.881 1.00 10.01 N ATOM 1691 CA LYS C 7 34.252 17.236 12.287 1.00 7.25 C ATOM 1692 C LYS C 7 34.046 15.786 12.739 1.00 8.28 C ATOM 1693 O LYS C 7 32.942 15.389 13.118 1.00 8.25 O ATOM 1694 CB LYS C 7 34.361 17.305 10.768 1.00 5.77 C ATOM 1695 CG LYS C 7 33.142 16.806 9.997 1.00 5.53 C ATOM 1696 CD LYS C 7 33.556 16.376 8.585 1.00 1.71 C ATOM 1697 CE LYS C 7 34.214 17.523 7.831 1.00 2.01 C ATOM 1698 NZ LYS C 7 34.703 17.118 6.491 1.00 1.71 N ATOM 0 H LYS C 7 36.063 18.024 12.313 1.00 10.01 H new ATOM 0 HA LYS C 7 33.492 17.766 12.574 1.00 7.25 H new ATOM 0 HB2 LYS C 7 34.530 18.225 10.513 1.00 5.77 H new ATOM 0 HB3 LYS C 7 35.133 16.787 10.491 1.00 5.77 H new ATOM 0 HG2 LYS C 7 32.737 16.059 10.465 1.00 5.53 H new ATOM 0 HG3 LYS C 7 32.472 17.506 9.947 1.00 5.53 H new ATOM 0 HD2 LYS C 7 34.170 15.627 8.639 1.00 1.71 H new ATOM 0 HD3 LYS C 7 32.777 16.069 8.096 1.00 1.71 H new ATOM 0 HE2 LYS C 7 33.578 18.249 7.734 1.00 2.01 H new ATOM 0 HE3 LYS C 7 34.957 17.865 8.353 1.00 2.01 H new ATOM 0 HZ1 LYS C 7 35.079 17.817 6.088 1.00 1.71 H new ATOM 0 HZ2 LYS C 7 35.304 16.468 6.578 1.00 1.71 H new ATOM 0 HZ3 LYS C 7 34.020 16.826 6.001 1.00 1.71 H new ATOM 1699 N LYS C 8 35.115 14.998 12.701 1.00 8.59 N ATOM 1700 CA LYS C 8 35.032 13.598 13.111 1.00 9.87 C ATOM 1701 C LYS C 8 34.583 13.493 14.564 1.00 9.14 C ATOM 1702 O LYS C 8 33.708 12.697 14.901 1.00 9.84 O ATOM 1703 CB LYS C 8 36.387 12.904 12.947 1.00 11.46 C ATOM 1704 CG LYS C 8 36.378 11.444 13.398 1.00 13.02 C ATOM 1705 CD LYS C 8 37.777 10.835 13.345 1.00 15.09 C ATOM 1706 CE LYS C 8 37.763 9.376 13.790 1.00 17.12 C ATOM 1707 NZ LYS C 8 36.926 8.527 12.887 1.00 13.55 N ATOM 0 H LYS C 8 35.895 15.252 12.442 1.00 8.59 H new ATOM 0 HA LYS C 8 34.381 13.159 12.542 1.00 9.87 H new ATOM 0 HB2 LYS C 8 36.654 12.946 12.015 1.00 11.46 H new ATOM 0 HB3 LYS C 8 37.055 13.389 13.456 1.00 11.46 H new ATOM 0 HG2 LYS C 8 36.032 11.385 14.302 1.00 13.02 H new ATOM 0 HG3 LYS C 8 35.779 10.933 12.832 1.00 13.02 H new ATOM 0 HD2 LYS C 8 38.125 10.897 12.442 1.00 15.09 H new ATOM 0 HD3 LYS C 8 38.375 11.343 13.915 1.00 15.09 H new ATOM 0 HE2 LYS C 8 38.671 9.034 13.806 1.00 17.12 H new ATOM 0 HE3 LYS C 8 37.422 9.318 14.696 1.00 17.12 H new ATOM 0 HZ1 LYS C 8 37.097 7.668 13.045 1.00 13.55 H new ATOM 0 HZ2 LYS C 8 36.065 8.691 13.039 1.00 13.55 H new ATOM 0 HZ3 LYS C 8 37.118 8.717 12.039 1.00 13.55 H new ATOM 1708 N ILE C 9 35.193 14.300 15.421 1.00 8.99 N ATOM 1709 CA ILE C 9 34.845 14.308 16.833 1.00 9.67 C ATOM 1710 C ILE C 9 33.384 14.721 17.026 1.00 11.40 C ATOM 1711 O ILE C 9 32.647 14.077 17.777 1.00 10.68 O ATOM 1712 CB ILE C 9 35.761 15.269 17.619 1.00 9.76 C ATOM 1713 CG1 ILE C 9 37.201 14.748 17.580 1.00 9.23 C ATOM 1714 CG2 ILE C 9 35.282 15.393 19.065 1.00 11.08 C ATOM 1715 CD1 ILE C 9 38.214 15.681 18.205 1.00 8.61 C ATOM 0 H ILE C 9 35.814 14.853 15.203 1.00 8.99 H new ATOM 0 HA ILE C 9 34.968 13.408 17.173 1.00 9.67 H new ATOM 0 HB ILE C 9 35.728 16.148 17.209 1.00 9.76 H new ATOM 0 HG12 ILE C 9 37.238 13.893 18.037 1.00 9.23 H new ATOM 0 HG13 ILE C 9 37.451 14.587 16.657 1.00 9.23 H new ATOM 0 HG21 ILE C 9 35.865 15.999 19.548 1.00 11.08 H new ATOM 0 HG22 ILE C 9 34.376 15.738 19.077 1.00 11.08 H new ATOM 0 HG23 ILE C 9 35.301 14.520 19.488 1.00 11.08 H new ATOM 0 HD11 ILE C 9 39.098 15.287 18.144 1.00 8.61 H new ATOM 0 HD12 ILE C 9 38.206 16.530 17.735 1.00 8.61 H new ATOM 0 HD13 ILE C 9 37.989 15.826 19.137 1.00 8.61 H new ATOM 1716 N PHE C 10 32.957 15.783 16.342 1.00 10.83 N ATOM 1717 CA PHE C 10 31.575 16.240 16.475 1.00 8.34 C ATOM 1718 C PHE C 10 30.588 15.139 16.105 1.00 9.23 C ATOM 1719 O PHE C 10 29.591 14.935 16.792 1.00 8.10 O ATOM 1720 CB PHE C 10 31.295 17.447 15.575 1.00 8.63 C ATOM 1721 CG PHE C 10 29.879 17.954 15.678 1.00 7.29 C ATOM 1722 CD1 PHE C 10 29.519 18.845 16.682 1.00 4.60 C ATOM 1723 CD2 PHE C 10 28.888 17.467 14.827 1.00 7.52 C ATOM 1724 CE1 PHE C 10 28.187 19.240 16.843 1.00 5.04 C ATOM 1725 CE2 PHE C 10 27.549 17.854 14.978 1.00 5.14 C ATOM 1726 CZ PHE C 10 27.202 18.739 15.990 1.00 4.74 C ATOM 0 H PHE C 10 33.443 16.246 15.804 1.00 10.83 H new ATOM 0 HA PHE C 10 31.459 16.489 17.405 1.00 8.34 H new ATOM 0 HB2 PHE C 10 31.906 18.164 15.807 1.00 8.63 H new ATOM 0 HB3 PHE C 10 31.479 17.205 14.654 1.00 8.63 H new ATOM 0 HD1 PHE C 10 30.171 19.182 17.253 1.00 4.60 H new ATOM 0 HD2 PHE C 10 29.119 16.875 14.148 1.00 7.52 H new ATOM 0 HE1 PHE C 10 27.957 19.837 17.518 1.00 5.04 H new ATOM 0 HE2 PHE C 10 26.898 17.520 14.404 1.00 5.14 H new ATOM 0 HZ PHE C 10 26.315 18.997 16.099 1.00 4.74 H new ATOM 1727 N VAL C 11 30.866 14.443 15.008 1.00 8.54 N ATOM 1728 CA VAL C 11 29.979 13.387 14.537 1.00 11.31 C ATOM 1729 C VAL C 11 29.828 12.218 15.496 1.00 12.45 C ATOM 1730 O VAL C 11 28.744 11.646 15.615 1.00 15.24 O ATOM 1731 CB VAL C 11 30.440 12.826 13.161 1.00 11.81 C ATOM 1732 CG1 VAL C 11 29.682 11.547 12.829 1.00 10.09 C ATOM 1733 CG2 VAL C 11 30.187 13.851 12.075 1.00 13.62 C ATOM 0 H VAL C 11 31.564 14.567 14.522 1.00 8.54 H new ATOM 0 HA VAL C 11 29.115 13.822 14.462 1.00 11.31 H new ATOM 0 HB VAL C 11 31.389 12.631 13.211 1.00 11.81 H new ATOM 0 HG11 VAL C 11 29.979 11.208 11.970 1.00 10.09 H new ATOM 0 HG12 VAL C 11 29.853 10.882 13.514 1.00 10.09 H new ATOM 0 HG13 VAL C 11 28.731 11.735 12.791 1.00 10.09 H new ATOM 0 HG21 VAL C 11 30.476 13.495 11.220 1.00 13.62 H new ATOM 0 HG22 VAL C 11 29.239 14.054 12.036 1.00 13.62 H new ATOM 0 HG23 VAL C 11 30.683 14.661 12.272 1.00 13.62 H new ATOM 1734 N GLN C 12 30.898 11.852 16.185 1.00 11.78 N ATOM 1735 CA GLN C 12 30.794 10.714 17.085 1.00 14.09 C ATOM 1736 C GLN C 12 30.493 11.050 18.532 1.00 12.87 C ATOM 1737 O GLN C 12 29.970 10.211 19.256 1.00 10.87 O ATOM 1738 CB GLN C 12 32.060 9.856 17.003 1.00 14.18 C ATOM 1739 CG GLN C 12 33.345 10.643 16.978 1.00 19.86 C ATOM 1740 CD GLN C 12 34.577 9.757 16.979 1.00 21.84 C ATOM 1741 OE1 GLN C 12 34.708 8.843 16.160 1.00 20.72 O ATOM 1742 NE2 GLN C 12 35.494 10.032 17.899 1.00 21.17 N ATOM 0 H GLN C 12 31.668 12.233 16.150 1.00 11.78 H new ATOM 0 HA GLN C 12 30.019 10.222 16.772 1.00 14.09 H new ATOM 0 HB2 GLN C 12 32.078 9.252 17.762 1.00 14.18 H new ATOM 0 HB3 GLN C 12 32.014 9.307 16.205 1.00 14.18 H new ATOM 0 HG2 GLN C 12 33.358 11.208 16.189 1.00 19.86 H new ATOM 0 HG3 GLN C 12 33.374 11.231 17.749 1.00 19.86 H new ATOM 0 HE21 GLN C 12 35.367 10.677 18.453 1.00 21.17 H new ATOM 0 HE22 GLN C 12 36.215 9.565 17.941 1.00 21.17 H new ATOM 1743 N LYS C 13 30.799 12.278 18.943 1.00 13.90 N ATOM 1744 CA LYS C 13 30.577 12.694 20.328 1.00 13.91 C ATOM 1745 C LYS C 13 29.473 13.722 20.537 1.00 12.10 C ATOM 1746 O LYS C 13 29.028 13.923 21.664 1.00 12.81 O ATOM 1747 CB LYS C 13 31.875 13.272 20.913 1.00 16.32 C ATOM 1748 CG LYS C 13 33.017 12.278 21.058 1.00 18.36 C ATOM 1749 CD LYS C 13 32.693 11.210 22.085 1.00 19.57 C ATOM 1750 CE LYS C 13 33.844 10.230 22.229 1.00 24.22 C ATOM 1751 NZ LYS C 13 35.104 10.919 22.642 1.00 27.47 N ATOM 0 H LYS C 13 31.136 12.886 18.437 1.00 13.90 H new ATOM 0 HA LYS C 13 30.291 11.885 20.780 1.00 13.91 H new ATOM 0 HB2 LYS C 13 32.171 14.003 20.348 1.00 16.32 H new ATOM 0 HB3 LYS C 13 31.680 13.649 21.785 1.00 16.32 H new ATOM 0 HG2 LYS C 13 33.196 11.861 20.201 1.00 18.36 H new ATOM 0 HG3 LYS C 13 33.825 12.747 21.320 1.00 18.36 H new ATOM 0 HD2 LYS C 13 32.508 11.625 22.942 1.00 19.57 H new ATOM 0 HD3 LYS C 13 31.890 10.735 21.821 1.00 19.57 H new ATOM 0 HE2 LYS C 13 33.614 9.554 22.885 1.00 24.22 H new ATOM 0 HE3 LYS C 13 33.986 9.771 21.386 1.00 24.22 H new ATOM 0 HZ1 LYS C 13 35.535 10.418 23.238 1.00 27.47 H new ATOM 0 HZ2 LYS C 13 35.622 11.043 21.929 1.00 27.47 H new ATOM 0 HZ3 LYS C 13 34.906 11.707 23.006 1.00 27.47 H new ATOM 1752 N CYS C 14 29.026 14.373 19.468 1.00 10.68 N ATOM 1753 CA CYS C 14 28.017 15.424 19.614 1.00 9.34 C ATOM 1754 C CYS C 14 26.777 15.336 18.735 1.00 8.55 C ATOM 1755 O CYS C 14 25.679 15.686 19.169 1.00 9.33 O ATOM 1756 CB CYS C 14 28.672 16.785 19.365 1.00 6.74 C ATOM 1757 SG CYS C 14 30.278 17.008 20.187 1.00 8.75 S ATOM 0 H CYS C 14 29.287 14.227 18.662 1.00 10.68 H new ATOM 0 HA CYS C 14 27.691 15.302 20.519 1.00 9.34 H new ATOM 0 HB2 CYS C 14 28.791 16.904 18.410 1.00 6.74 H new ATOM 0 HB3 CYS C 14 28.068 17.482 19.665 1.00 6.74 H new ATOM 1758 N ALA C 15 26.962 14.884 17.500 1.00 8.84 N ATOM 1759 CA ALA C 15 25.883 14.798 16.522 1.00 8.52 C ATOM 1760 C ALA C 15 24.605 14.101 16.972 1.00 9.12 C ATOM 1761 O ALA C 15 23.528 14.384 16.449 1.00 8.11 O ATOM 1762 CB ALA C 15 26.406 14.152 15.240 1.00 5.97 C ATOM 0 H ALA C 15 27.723 14.616 17.203 1.00 8.84 H new ATOM 0 HA ALA C 15 25.611 15.718 16.380 1.00 8.52 H new ATOM 0 HB1 ALA C 15 25.688 14.095 14.590 1.00 5.97 H new ATOM 0 HB2 ALA C 15 27.128 14.689 14.878 1.00 5.97 H new ATOM 0 HB3 ALA C 15 26.735 13.261 15.437 1.00 5.97 H new ATOM 1763 N GLN C 16 24.710 13.192 17.933 1.00 10.72 N ATOM 1764 CA GLN C 16 23.524 12.477 18.389 1.00 13.73 C ATOM 1765 C GLN C 16 22.537 13.372 19.131 1.00 13.66 C ATOM 1766 O GLN C 16 21.371 13.014 19.286 1.00 15.20 O ATOM 1767 CB GLN C 16 23.917 11.288 19.277 1.00 15.62 C ATOM 1768 CG GLN C 16 24.931 11.633 20.353 1.00 19.76 C ATOM 1769 CD GLN C 16 26.364 11.396 19.906 1.00 21.07 C ATOM 1770 OE1 GLN C 16 26.773 11.800 18.812 1.00 19.43 O ATOM 1771 NE2 GLN C 16 27.137 10.736 20.759 1.00 22.98 N ATOM 0 H GLN C 16 25.443 12.977 18.328 1.00 10.72 H new ATOM 0 HA GLN C 16 23.076 12.156 17.591 1.00 13.73 H new ATOM 0 HB2 GLN C 16 23.119 10.933 19.699 1.00 15.62 H new ATOM 0 HB3 GLN C 16 24.279 10.583 18.717 1.00 15.62 H new ATOM 0 HG2 GLN C 16 24.825 12.563 20.606 1.00 19.76 H new ATOM 0 HG3 GLN C 16 24.751 11.102 21.144 1.00 19.76 H new ATOM 0 HE21 GLN C 16 26.817 10.470 21.512 1.00 22.98 H new ATOM 0 HE22 GLN C 16 27.958 10.574 20.559 1.00 22.98 H new ATOM 1772 N CYS C 17 22.996 14.540 19.573 1.00 14.32 N ATOM 1773 CA CYS C 17 22.135 15.466 20.305 1.00 13.53 C ATOM 1774 C CYS C 17 22.105 16.875 19.712 1.00 14.36 C ATOM 1775 O CYS C 17 21.216 17.660 20.041 1.00 15.22 O ATOM 1776 CB CYS C 17 22.580 15.570 21.771 1.00 13.25 C ATOM 1777 SG CYS C 17 22.608 14.021 22.745 1.00 13.54 S ATOM 0 H CYS C 17 23.803 14.815 19.460 1.00 14.32 H new ATOM 0 HA CYS C 17 21.241 15.096 20.237 1.00 13.53 H new ATOM 0 HB2 CYS C 17 23.471 15.953 21.789 1.00 13.25 H new ATOM 0 HB3 CYS C 17 21.992 16.198 22.220 1.00 13.25 H new ATOM 1778 N HIS C 18 23.067 17.196 18.847 1.00 13.59 N ATOM 1779 CA HIS C 18 23.148 18.532 18.241 1.00 11.38 C ATOM 1780 C HIS C 18 23.302 18.546 16.716 1.00 11.43 C ATOM 1781 O HIS C 18 23.928 17.660 16.121 1.00 11.82 O ATOM 1782 CB HIS C 18 24.346 19.314 18.808 1.00 10.24 C ATOM 1783 CG HIS C 18 24.268 19.597 20.276 1.00 10.11 C ATOM 1784 ND1 HIS C 18 23.367 20.489 20.818 1.00 11.05 N ATOM 1785 CD2 HIS C 18 24.998 19.123 21.314 1.00 10.49 C ATOM 1786 CE1 HIS C 18 23.545 20.553 22.127 1.00 10.57 C ATOM 1787 NE2 HIS C 18 24.530 19.733 22.454 1.00 11.47 N ATOM 0 H HIS C 18 23.686 16.654 18.595 1.00 13.59 H new ATOM 0 HA HIS C 18 22.295 18.938 18.463 1.00 11.38 H new ATOM 0 HB2 HIS C 18 25.157 18.813 18.630 1.00 10.24 H new ATOM 0 HB3 HIS C 18 24.422 20.156 18.332 1.00 10.24 H new ATOM 0 HD1 HIS C 18 22.781 20.934 20.374 1.00 11.05 H new ATOM 0 HD2 HIS C 18 25.687 18.501 21.265 1.00 10.49 H new ATOM 0 HE1 HIS C 18 23.060 21.084 22.717 1.00 10.57 H new ATOM 1788 N THR C 19 22.723 19.564 16.090 1.00 8.75 N ATOM 1789 CA THR C 19 22.870 19.758 14.657 1.00 8.48 C ATOM 1790 C THR C 19 23.568 21.115 14.586 1.00 9.37 C ATOM 1791 O THR C 19 23.409 21.938 15.493 1.00 8.62 O ATOM 1792 CB THR C 19 21.508 19.825 13.908 1.00 7.40 C ATOM 1793 OG1 THR C 19 20.632 20.762 14.554 1.00 7.18 O ATOM 1794 CG2 THR C 19 20.859 18.450 13.866 1.00 6.97 C ATOM 0 H THR C 19 22.238 20.156 16.482 1.00 8.75 H new ATOM 0 HA THR C 19 23.347 19.026 14.237 1.00 8.48 H new ATOM 0 HB THR C 19 21.670 20.121 12.999 1.00 7.40 H new ATOM 0 HG1 THR C 19 19.916 20.377 14.765 1.00 7.18 H new ATOM 0 HG21 THR C 19 20.012 18.506 13.397 1.00 6.97 H new ATOM 0 HG22 THR C 19 21.444 17.830 13.403 1.00 6.97 H new ATOM 0 HG23 THR C 19 20.707 18.136 14.771 1.00 6.97 H new ATOM 1795 N VAL C 20 24.362 21.347 13.547 1.00 8.83 N ATOM 1796 CA VAL C 20 25.041 22.628 13.436 1.00 7.66 C ATOM 1797 C VAL C 20 24.519 23.462 12.282 1.00 7.35 C ATOM 1798 O VAL C 20 24.546 24.685 12.343 1.00 9.97 O ATOM 1799 CB VAL C 20 26.570 22.459 13.288 1.00 5.76 C ATOM 1800 CG1 VAL C 20 27.126 21.747 14.510 1.00 5.26 C ATOM 1801 CG2 VAL C 20 26.902 21.720 12.006 1.00 5.58 C ATOM 0 H VAL C 20 24.518 20.790 12.910 1.00 8.83 H new ATOM 0 HA VAL C 20 24.852 23.096 14.265 1.00 7.66 H new ATOM 0 HB VAL C 20 26.988 23.333 13.232 1.00 5.76 H new ATOM 0 HG11 VAL C 20 28.086 21.642 14.415 1.00 5.26 H new ATOM 0 HG12 VAL C 20 26.936 22.270 15.304 1.00 5.26 H new ATOM 0 HG13 VAL C 20 26.712 20.874 14.592 1.00 5.26 H new ATOM 0 HG21 VAL C 20 27.864 21.622 11.928 1.00 5.58 H new ATOM 0 HG22 VAL C 20 26.489 20.843 12.022 1.00 5.58 H new ATOM 0 HG23 VAL C 20 26.566 22.222 11.247 1.00 5.58 H new ATOM 1802 N GLU C 21 24.031 22.795 11.240 1.00 9.67 N ATOM 1803 CA GLU C 21 23.504 23.469 10.058 1.00 10.76 C ATOM 1804 C GLU C 21 22.444 24.519 10.380 1.00 10.24 C ATOM 1805 O GLU C 21 21.655 24.356 11.306 1.00 9.97 O ATOM 1806 CB GLU C 21 22.898 22.451 9.091 1.00 11.90 C ATOM 1807 CG GLU C 21 23.873 21.448 8.489 1.00 13.27 C ATOM 1808 CD GLU C 21 24.303 20.370 9.465 1.00 15.32 C ATOM 1809 OE1 GLU C 21 23.519 20.053 10.392 1.00 13.83 O ATOM 1810 OE2 GLU C 21 25.418 19.826 9.288 1.00 14.59 O ATOM 0 H GLU C 21 23.996 21.937 11.199 1.00 9.67 H new ATOM 0 HA GLU C 21 24.260 23.925 9.655 1.00 10.76 H new ATOM 0 HB2 GLU C 21 22.203 21.961 9.557 1.00 11.90 H new ATOM 0 HB3 GLU C 21 22.468 22.933 8.367 1.00 11.90 H new ATOM 0 HG2 GLU C 21 23.462 21.030 7.716 1.00 13.27 H new ATOM 0 HG3 GLU C 21 24.659 21.920 8.172 1.00 13.27 H new ATOM 1811 N LYS C 22 22.418 25.596 9.602 1.00 11.78 N ATOM 1812 CA LYS C 22 21.431 26.639 9.824 1.00 12.69 C ATOM 1813 C LYS C 22 20.052 26.078 9.522 1.00 13.89 C ATOM 1814 O LYS C 22 19.858 25.389 8.513 1.00 15.15 O ATOM 1815 CB LYS C 22 21.694 27.851 8.933 1.00 13.61 C ATOM 1816 CG LYS C 22 20.767 29.011 9.255 1.00 14.16 C ATOM 1817 CD LYS C 22 21.381 30.344 8.856 1.00 17.96 C ATOM 1818 CE LYS C 22 20.526 31.517 9.318 1.00 14.92 C ATOM 1819 NZ LYS C 22 20.383 31.598 10.799 1.00 14.15 N ATOM 0 H LYS C 22 22.958 25.739 8.948 1.00 11.78 H new ATOM 0 HA LYS C 22 21.487 26.929 10.748 1.00 12.69 H new ATOM 0 HB2 LYS C 22 22.615 28.136 9.040 1.00 13.61 H new ATOM 0 HB3 LYS C 22 21.582 27.598 8.003 1.00 13.61 H new ATOM 0 HG2 LYS C 22 19.923 28.891 8.792 1.00 14.16 H new ATOM 0 HG3 LYS C 22 20.571 29.015 10.205 1.00 14.16 H new ATOM 0 HD2 LYS C 22 22.269 30.419 9.239 1.00 17.96 H new ATOM 0 HD3 LYS C 22 21.484 30.378 7.892 1.00 17.96 H new ATOM 0 HE2 LYS C 22 20.918 32.342 8.992 1.00 14.92 H new ATOM 0 HE3 LYS C 22 19.645 31.444 8.918 1.00 14.92 H new ATOM 0 HZ1 LYS C 22 20.529 32.434 11.066 1.00 14.15 H new ATOM 0 HZ2 LYS C 22 19.560 31.352 11.032 1.00 14.15 H new ATOM 0 HZ3 LYS C 22 20.975 31.056 11.185 1.00 14.15 H new ATOM 1820 N GLY C 23 19.093 26.380 10.388 1.00 12.75 N ATOM 1821 CA GLY C 23 17.754 25.866 10.191 1.00 13.46 C ATOM 1822 C GLY C 23 17.696 24.430 10.683 1.00 15.00 C ATOM 1823 O GLY C 23 16.676 23.755 10.548 1.00 14.30 O ATOM 0 H GLY C 23 19.198 26.873 11.085 1.00 12.75 H new ATOM 0 HA2 GLY C 23 17.112 26.411 10.673 1.00 13.46 H new ATOM 0 HA3 GLY C 23 17.514 25.908 9.252 1.00 13.46 H new ATOM 1824 N GLY C 24 18.804 23.955 11.243 1.00 14.99 N ATOM 1825 CA GLY C 24 18.839 22.598 11.757 1.00 16.09 C ATOM 1826 C GLY C 24 17.892 22.514 12.935 1.00 16.87 C ATOM 1827 O GLY C 24 17.727 23.491 13.665 1.00 14.92 O ATOM 0 H GLY C 24 19.536 24.398 11.333 1.00 14.99 H new ATOM 0 HA2 GLY C 24 18.578 21.968 11.067 1.00 16.09 H new ATOM 0 HA3 GLY C 24 19.740 22.363 12.030 1.00 16.09 H new ATOM 1828 N LYS C 25 17.268 21.359 13.136 1.00 17.39 N ATOM 1829 CA LYS C 25 16.331 21.219 14.245 1.00 18.53 C ATOM 1830 C LYS C 25 17.011 20.945 15.576 1.00 17.80 C ATOM 1831 O LYS C 25 18.190 20.579 15.625 1.00 17.05 O ATOM 1832 CB LYS C 25 15.334 20.104 13.948 1.00 20.76 C ATOM 1833 CG LYS C 25 15.971 18.754 13.702 1.00 23.59 C ATOM 1834 CD LYS C 25 14.950 17.758 13.164 1.00 26.58 C ATOM 1835 CE LYS C 25 14.441 18.154 11.779 1.00 29.30 C ATOM 1836 NZ LYS C 25 13.694 19.444 11.766 1.00 29.80 N ATOM 0 H LYS C 25 17.370 20.656 12.652 1.00 17.39 H new ATOM 0 HA LYS C 25 15.875 22.071 14.328 1.00 18.53 H new ATOM 0 HB2 LYS C 25 14.717 20.029 14.692 1.00 20.76 H new ATOM 0 HB3 LYS C 25 14.811 20.350 13.169 1.00 20.76 H new ATOM 0 HG2 LYS C 25 16.701 18.847 13.070 1.00 23.59 H new ATOM 0 HG3 LYS C 25 16.352 18.417 14.528 1.00 23.59 H new ATOM 0 HD2 LYS C 25 15.351 16.876 13.120 1.00 26.58 H new ATOM 0 HD3 LYS C 25 14.202 17.699 13.778 1.00 26.58 H new ATOM 0 HE2 LYS C 25 15.195 18.219 11.172 1.00 29.30 H new ATOM 0 HE3 LYS C 25 13.864 17.451 11.441 1.00 29.30 H new ATOM 0 HZ1 LYS C 25 13.053 19.410 11.149 1.00 29.80 H new ATOM 0 HZ2 LYS C 25 13.329 19.584 12.565 1.00 29.80 H new ATOM 0 HZ3 LYS C 25 14.253 20.109 11.575 1.00 29.80 H new ATOM 1837 N HIS C 26 16.264 21.142 16.660 1.00 16.25 N ATOM 1838 CA HIS C 26 16.787 20.876 17.986 1.00 16.57 C ATOM 1839 C HIS C 26 16.625 19.382 18.198 1.00 17.06 C ATOM 1840 O HIS C 26 15.719 18.767 17.638 1.00 17.01 O ATOM 1841 CB HIS C 26 15.980 21.604 19.065 1.00 17.47 C ATOM 1842 CG HIS C 26 16.012 23.093 18.954 1.00 17.91 C ATOM 1843 ND1 HIS C 26 17.187 23.808 18.872 1.00 20.14 N ATOM 1844 CD2 HIS C 26 15.012 24.007 18.945 1.00 19.21 C ATOM 1845 CE1 HIS C 26 16.910 25.100 18.816 1.00 21.13 C ATOM 1846 NE2 HIS C 26 15.597 25.248 18.858 1.00 20.54 N ATOM 0 H HIS C 26 15.453 21.429 16.644 1.00 16.25 H new ATOM 0 HA HIS C 26 17.707 21.177 18.051 1.00 16.57 H new ATOM 0 HB2 HIS C 26 15.058 21.306 19.021 1.00 17.47 H new ATOM 0 HB3 HIS C 26 16.319 21.347 19.937 1.00 17.47 H new ATOM 0 HD2 HIS C 26 14.100 23.828 18.989 1.00 19.21 H new ATOM 0 HE1 HIS C 26 17.533 25.788 18.757 1.00 21.13 H new ATOM 0 HE2 HIS C 26 15.177 25.998 18.835 1.00 20.54 H new ATOM 1847 N LYS C 27 17.506 18.797 18.996 1.00 16.19 N ATOM 1848 CA LYS C 27 17.425 17.374 19.302 1.00 17.20 C ATOM 1849 C LYS C 27 17.368 17.351 20.813 1.00 15.90 C ATOM 1850 O LYS C 27 16.708 18.199 21.409 1.00 15.91 O ATOM 1851 CB LYS C 27 18.672 16.637 18.820 1.00 17.73 C ATOM 1852 CG LYS C 27 18.852 16.603 17.316 1.00 16.58 C ATOM 1853 CD LYS C 27 20.014 15.696 16.983 1.00 17.68 C ATOM 1854 CE LYS C 27 19.992 15.268 15.546 1.00 19.10 C ATOM 1855 NZ LYS C 27 20.712 13.976 15.409 1.00 20.48 N ATOM 0 H LYS C 27 18.162 19.207 19.373 1.00 16.19 H new ATOM 0 HA LYS C 27 16.670 16.941 18.874 1.00 17.20 H new ATOM 0 HB2 LYS C 27 19.452 17.055 19.217 1.00 17.73 H new ATOM 0 HB3 LYS C 27 18.640 15.725 19.149 1.00 17.73 H new ATOM 0 HG2 LYS C 27 18.043 16.282 16.888 1.00 16.58 H new ATOM 0 HG3 LYS C 27 19.016 17.497 16.977 1.00 16.58 H new ATOM 0 HD2 LYS C 27 20.847 16.156 17.171 1.00 17.68 H new ATOM 0 HD3 LYS C 27 19.987 14.913 17.554 1.00 17.68 H new ATOM 0 HE2 LYS C 27 19.077 15.174 15.239 1.00 19.10 H new ATOM 0 HE3 LYS C 27 20.410 15.944 14.990 1.00 19.10 H new ATOM 0 HZ1 LYS C 27 20.726 13.733 14.553 1.00 20.48 H new ATOM 0 HZ2 LYS C 27 21.546 14.068 15.705 1.00 20.48 H new ATOM 0 HZ3 LYS C 27 20.295 13.352 15.887 1.00 20.48 H new ATOM 1856 N THR C 28 18.050 16.401 21.442 1.00 14.09 N ATOM 1857 CA THR C 28 18.058 16.384 22.894 1.00 14.85 C ATOM 1858 C THR C 28 18.744 17.692 23.265 1.00 12.28 C ATOM 1859 O THR C 28 18.510 18.266 24.325 1.00 11.86 O ATOM 1860 CB THR C 28 18.857 15.203 23.441 1.00 15.91 C ATOM 1861 OG1 THR C 28 18.213 13.985 23.057 1.00 17.82 O ATOM 1862 CG2 THR C 28 18.931 15.273 24.960 1.00 18.02 C ATOM 0 H THR C 28 18.501 15.776 21.060 1.00 14.09 H new ATOM 0 HA THR C 28 17.165 16.294 23.261 1.00 14.85 H new ATOM 0 HB THR C 28 19.757 15.234 23.080 1.00 15.91 H new ATOM 0 HG1 THR C 28 18.314 13.862 22.232 1.00 17.82 H new ATOM 0 HG21 THR C 28 19.440 14.518 25.294 1.00 18.02 H new ATOM 0 HG22 THR C 28 19.365 16.099 25.225 1.00 18.02 H new ATOM 0 HG23 THR C 28 18.034 15.247 25.329 1.00 18.02 H new ATOM 1863 N GLY C 29 19.591 18.151 22.351 1.00 10.58 N ATOM 1864 CA GLY C 29 20.301 19.401 22.530 1.00 9.70 C ATOM 1865 C GLY C 29 19.842 20.386 21.470 1.00 8.76 C ATOM 1866 O GLY C 29 19.215 19.993 20.489 1.00 9.74 O ATOM 0 H GLY C 29 19.767 17.745 21.613 1.00 10.58 H new ATOM 0 HA2 GLY C 29 20.132 19.759 23.416 1.00 9.70 H new ATOM 0 HA3 GLY C 29 21.258 19.256 22.461 1.00 9.70 H new ATOM 1867 N PRO C 30 20.131 21.680 21.639 1.00 9.13 N ATOM 1868 CA PRO C 30 19.717 22.682 20.656 1.00 8.04 C ATOM 1869 C PRO C 30 20.640 22.820 19.443 1.00 9.41 C ATOM 1870 O PRO C 30 21.827 22.492 19.500 1.00 6.35 O ATOM 1871 CB PRO C 30 19.681 23.957 21.483 1.00 7.82 C ATOM 1872 CG PRO C 30 20.840 23.759 22.406 1.00 8.81 C ATOM 1873 CD PRO C 30 20.635 22.329 22.863 1.00 8.82 C ATOM 0 HA PRO C 30 18.873 22.443 20.242 1.00 8.04 H new ATOM 0 HB2 PRO C 30 19.785 24.750 20.934 1.00 7.82 H new ATOM 0 HB3 PRO C 30 18.845 24.054 21.965 1.00 7.82 H new ATOM 0 HG2 PRO C 30 21.690 23.878 21.953 1.00 8.81 H new ATOM 0 HG3 PRO C 30 20.824 24.383 23.148 1.00 8.81 H new ATOM 0 HD2 PRO C 30 21.461 21.926 23.173 1.00 8.82 H new ATOM 0 HD3 PRO C 30 19.999 22.270 23.593 1.00 8.82 H new ATOM 1874 N ASN C 31 20.076 23.299 18.340 1.00 11.12 N ATOM 1875 CA ASN C 31 20.859 23.526 17.132 1.00 11.87 C ATOM 1876 C ASN C 31 21.932 24.538 17.535 1.00 10.54 C ATOM 1877 O ASN C 31 21.666 25.445 18.319 1.00 10.76 O ATOM 1878 CB ASN C 31 19.963 24.090 16.028 1.00 10.35 C ATOM 1879 CG ASN C 31 20.750 24.558 14.818 1.00 10.65 C ATOM 1880 OD1 ASN C 31 21.322 25.646 14.822 1.00 11.23 O ATOM 1881 ND2 ASN C 31 20.788 23.732 13.779 1.00 9.20 N ATOM 0 H ASN C 31 19.242 23.499 18.270 1.00 11.12 H new ATOM 0 HA ASN C 31 21.252 22.710 16.786 1.00 11.87 H new ATOM 0 HB2 ASN C 31 19.328 23.410 15.753 1.00 10.35 H new ATOM 0 HB3 ASN C 31 19.449 24.832 16.382 1.00 10.35 H new ATOM 0 HD21 ASN C 31 21.226 23.951 13.072 1.00 9.20 H new ATOM 0 HD22 ASN C 31 20.375 22.978 13.813 1.00 9.20 H new ATOM 1882 N LEU C 32 23.140 24.382 17.011 1.00 9.99 N ATOM 1883 CA LEU C 32 24.238 25.276 17.371 1.00 9.30 C ATOM 1884 C LEU C 32 24.632 26.337 16.333 1.00 9.26 C ATOM 1885 O LEU C 32 25.573 27.096 16.565 1.00 9.54 O ATOM 1886 CB LEU C 32 25.472 24.437 17.715 1.00 10.38 C ATOM 1887 CG LEU C 32 25.328 23.447 18.876 1.00 10.05 C ATOM 1888 CD1 LEU C 32 26.440 22.414 18.815 1.00 10.81 C ATOM 1889 CD2 LEU C 32 25.356 24.204 20.202 1.00 10.78 C ATOM 0 H LEU C 32 23.347 23.767 16.446 1.00 9.99 H new ATOM 0 HA LEU C 32 23.902 25.784 18.126 1.00 9.30 H new ATOM 0 HB2 LEU C 32 25.731 23.940 16.923 1.00 10.38 H new ATOM 0 HB3 LEU C 32 26.202 25.042 17.921 1.00 10.38 H new ATOM 0 HG LEU C 32 24.479 22.983 18.805 1.00 10.05 H new ATOM 0 HD11 LEU C 32 26.344 21.791 19.552 1.00 10.81 H new ATOM 0 HD12 LEU C 32 26.388 21.932 17.975 1.00 10.81 H new ATOM 0 HD13 LEU C 32 27.299 22.859 18.879 1.00 10.81 H new ATOM 0 HD21 LEU C 32 25.265 23.576 20.935 1.00 10.78 H new ATOM 0 HD22 LEU C 32 26.198 24.679 20.286 1.00 10.78 H new ATOM 0 HD23 LEU C 32 24.623 24.839 20.228 1.00 10.78 H new ATOM 1890 N HIS C 33 23.938 26.411 15.201 1.00 6.91 N ATOM 1891 CA HIS C 33 24.325 27.406 14.195 1.00 8.28 C ATOM 1892 C HIS C 33 24.335 28.815 14.765 1.00 8.17 C ATOM 1893 O HIS C 33 23.414 29.218 15.477 1.00 6.84 O ATOM 1894 CB HIS C 33 23.411 27.363 12.964 1.00 6.25 C ATOM 1895 CG HIS C 33 24.006 28.028 11.762 1.00 7.58 C ATOM 1896 ND1 HIS C 33 24.004 29.396 11.586 1.00 7.61 N ATOM 1897 CD2 HIS C 33 24.700 27.517 10.717 1.00 6.62 C ATOM 1898 CE1 HIS C 33 24.672 29.697 10.487 1.00 7.85 C ATOM 1899 NE2 HIS C 33 25.106 28.576 9.942 1.00 7.17 N ATOM 0 H HIS C 33 23.265 25.917 14.997 1.00 6.91 H new ATOM 0 HA HIS C 33 25.226 27.173 13.922 1.00 8.28 H new ATOM 0 HB2 HIS C 33 23.212 26.438 12.749 1.00 6.25 H new ATOM 0 HB3 HIS C 33 22.568 27.792 13.179 1.00 6.25 H new ATOM 0 HD2 HIS C 33 24.870 26.617 10.555 1.00 6.62 H new ATOM 0 HE1 HIS C 33 24.813 30.554 10.154 1.00 7.85 H new ATOM 0 HE2 HIS C 33 25.568 28.518 9.219 1.00 7.17 H new ATOM 1900 N GLY C 34 25.395 29.553 14.449 1.00 9.44 N ATOM 1901 CA GLY C 34 25.535 30.915 14.933 1.00 11.04 C ATOM 1902 C GLY C 34 25.865 30.963 16.414 1.00 11.10 C ATOM 1903 O GLY C 34 25.566 31.946 17.091 1.00 10.00 O ATOM 0 H GLY C 34 26.044 29.280 13.954 1.00 9.44 H new ATOM 0 HA2 GLY C 34 26.234 31.365 14.432 1.00 11.04 H new ATOM 0 HA3 GLY C 34 24.712 31.401 14.770 1.00 11.04 H new ATOM 1904 N LEU C 35 26.490 29.898 16.909 1.00 12.69 N ATOM 1905 CA LEU C 35 26.866 29.783 18.320 1.00 13.47 C ATOM 1906 C LEU C 35 27.838 30.855 18.801 1.00 13.22 C ATOM 1907 O LEU C 35 27.682 31.392 19.898 1.00 13.53 O ATOM 1908 CB LEU C 35 27.493 28.409 18.586 1.00 13.97 C ATOM 1909 CG LEU C 35 27.990 28.121 20.010 1.00 12.29 C ATOM 1910 CD1 LEU C 35 26.804 28.048 20.950 1.00 10.84 C ATOM 1911 CD2 LEU C 35 28.768 26.804 20.036 1.00 11.84 C ATOM 0 H LEU C 35 26.710 29.216 16.434 1.00 12.69 H new ATOM 0 HA LEU C 35 26.041 29.903 18.816 1.00 13.47 H new ATOM 0 HB2 LEU C 35 26.839 27.731 18.354 1.00 13.97 H new ATOM 0 HB3 LEU C 35 28.242 28.299 17.979 1.00 13.97 H new ATOM 0 HG LEU C 35 28.581 28.834 20.297 1.00 12.29 H new ATOM 0 HD11 LEU C 35 27.115 27.866 21.851 1.00 10.84 H new ATOM 0 HD12 LEU C 35 26.328 28.893 20.937 1.00 10.84 H new ATOM 0 HD13 LEU C 35 26.208 27.338 20.665 1.00 10.84 H new ATOM 0 HD21 LEU C 35 29.078 26.629 20.938 1.00 11.84 H new ATOM 0 HD22 LEU C 35 28.190 26.081 19.748 1.00 11.84 H new ATOM 0 HD23 LEU C 35 29.530 26.866 19.439 1.00 11.84 H new ATOM 1912 N PHE C 36 28.843 31.150 17.982 1.00 13.14 N ATOM 1913 CA PHE C 36 29.865 32.133 18.335 1.00 14.50 C ATOM 1914 C PHE C 36 29.315 33.543 18.441 1.00 13.56 C ATOM 1915 O PHE C 36 28.775 34.089 17.480 1.00 15.36 O ATOM 1916 CB PHE C 36 31.030 32.080 17.332 1.00 13.23 C ATOM 1917 CG PHE C 36 31.853 30.820 17.436 1.00 11.30 C ATOM 1918 CD1 PHE C 36 31.310 29.588 17.097 1.00 9.45 C ATOM 1919 CD2 PHE C 36 33.152 30.863 17.931 1.00 9.66 C ATOM 1920 CE1 PHE C 36 32.049 28.413 17.256 1.00 11.25 C ATOM 1921 CE2 PHE C 36 33.898 29.701 18.095 1.00 9.73 C ATOM 1922 CZ PHE C 36 33.349 28.472 17.759 1.00 9.99 C ATOM 0 H PHE C 36 28.952 30.788 17.209 1.00 13.14 H new ATOM 0 HA PHE C 36 30.191 31.895 19.217 1.00 14.50 H new ATOM 0 HB2 PHE C 36 30.677 32.154 16.432 1.00 13.23 H new ATOM 0 HB3 PHE C 36 31.606 32.847 17.475 1.00 13.23 H new ATOM 0 HD1 PHE C 36 30.444 29.544 16.760 1.00 9.45 H new ATOM 0 HD2 PHE C 36 33.528 31.683 18.156 1.00 9.66 H new ATOM 0 HE1 PHE C 36 31.675 27.593 17.027 1.00 11.25 H new ATOM 0 HE2 PHE C 36 34.764 29.748 18.430 1.00 9.73 H new ATOM 0 HZ PHE C 36 33.844 27.693 17.868 1.00 9.99 H new ATOM 1923 N GLY C 37 29.460 34.121 19.630 1.00 14.03 N ATOM 1924 CA GLY C 37 28.960 35.458 19.881 1.00 13.40 C ATOM 1925 C GLY C 37 27.571 35.383 20.482 1.00 14.49 C ATOM 1926 O GLY C 37 26.972 36.402 20.824 1.00 15.15 O ATOM 0 H GLY C 37 29.847 33.751 20.303 1.00 14.03 H new ATOM 0 HA2 GLY C 37 29.557 35.928 20.484 1.00 13.40 H new ATOM 0 HA3 GLY C 37 28.937 35.964 19.054 1.00 13.40 H new ATOM 1927 N ARG C 38 27.053 34.163 20.608 1.00 14.33 N ATOM 1928 CA ARG C 38 25.725 33.946 21.170 1.00 15.30 C ATOM 1929 C ARG C 38 25.827 33.659 22.664 1.00 15.29 C ATOM 1930 O ARG C 38 26.718 32.925 23.102 1.00 16.82 O ATOM 1931 CB ARG C 38 25.038 32.773 20.460 1.00 15.29 C ATOM 1932 CG ARG C 38 23.595 32.553 20.873 1.00 15.38 C ATOM 1933 CD ARG C 38 22.914 31.495 20.005 1.00 18.53 C ATOM 1934 NE ARG C 38 22.940 30.158 20.597 1.00 18.91 N ATOM 1935 CZ ARG C 38 22.579 29.052 19.948 1.00 20.14 C ATOM 1936 NH1 ARG C 38 22.166 29.121 18.689 1.00 19.26 N ATOM 1937 NH2 ARG C 38 22.632 27.873 20.555 1.00 21.15 N ATOM 0 H ARG C 38 27.460 33.443 20.371 1.00 14.33 H new ATOM 0 HA ARG C 38 25.196 34.749 21.039 1.00 15.30 H new ATOM 0 HB2 ARG C 38 25.070 32.925 19.502 1.00 15.29 H new ATOM 0 HB3 ARG C 38 25.541 31.963 20.636 1.00 15.29 H new ATOM 0 HG2 ARG C 38 23.562 32.279 21.803 1.00 15.38 H new ATOM 0 HG3 ARG C 38 23.108 33.389 20.806 1.00 15.38 H new ATOM 0 HD2 ARG C 38 21.993 31.756 19.851 1.00 18.53 H new ATOM 0 HD3 ARG C 38 23.349 31.467 19.139 1.00 18.53 H new ATOM 0 HE ARG C 38 23.204 30.081 21.412 1.00 18.91 H new ATOM 0 HH11 ARG C 38 22.131 29.882 18.289 1.00 19.26 H new ATOM 0 HH12 ARG C 38 21.934 28.405 18.273 1.00 19.26 H new ATOM 0 HH21 ARG C 38 22.900 27.821 21.370 1.00 21.15 H new ATOM 0 HH22 ARG C 38 22.398 27.161 20.133 1.00 21.15 H new ATOM 1938 N LYS C 39 24.928 34.243 23.449 1.00 15.07 N ATOM 1939 CA LYS C 39 24.943 34.011 24.888 1.00 17.69 C ATOM 1940 C LYS C 39 24.387 32.618 25.181 1.00 18.22 C ATOM 1941 O LYS C 39 23.688 32.028 24.351 1.00 16.41 O ATOM 1942 CB LYS C 39 24.097 35.055 25.632 1.00 20.34 C ATOM 1943 CG LYS C 39 24.643 36.486 25.613 1.00 22.35 C ATOM 1944 CD LYS C 39 24.378 37.191 24.284 1.00 24.62 C ATOM 1945 CE LYS C 39 22.890 37.226 23.960 1.00 24.67 C ATOM 1946 NZ LYS C 39 22.080 37.706 25.119 1.00 23.17 N ATOM 0 H LYS C 39 24.308 34.771 23.172 1.00 15.07 H new ATOM 0 HA LYS C 39 25.860 34.083 25.196 1.00 17.69 H new ATOM 0 HB2 LYS C 39 23.207 35.061 25.246 1.00 20.34 H new ATOM 0 HB3 LYS C 39 24.004 34.774 26.556 1.00 20.34 H new ATOM 0 HG2 LYS C 39 24.237 36.994 26.333 1.00 22.35 H new ATOM 0 HG3 LYS C 39 25.598 36.468 25.782 1.00 22.35 H new ATOM 0 HD2 LYS C 39 24.724 38.096 24.322 1.00 24.62 H new ATOM 0 HD3 LYS C 39 24.855 36.735 23.573 1.00 24.62 H new ATOM 0 HE2 LYS C 39 22.739 37.806 23.198 1.00 24.67 H new ATOM 0 HE3 LYS C 39 22.594 36.338 23.704 1.00 24.67 H new ATOM 0 HZ1 LYS C 39 21.606 37.030 25.451 1.00 23.17 H new ATOM 0 HZ2 LYS C 39 22.622 38.025 25.749 1.00 23.17 H new ATOM 0 HZ3 LYS C 39 21.528 38.350 24.849 1.00 23.17 H new ATOM 1947 N THR C 40 24.704 32.103 26.365 1.00 18.40 N ATOM 1948 CA THR C 40 24.240 30.790 26.793 1.00 19.25 C ATOM 1949 C THR C 40 22.721 30.749 26.913 1.00 19.71 C ATOM 1950 O THR C 40 22.100 31.699 27.396 1.00 19.60 O ATOM 1951 CB THR C 40 24.836 30.401 28.168 1.00 20.00 C ATOM 1952 OG1 THR C 40 24.815 31.541 29.040 1.00 19.47 O ATOM 1953 CG2 THR C 40 26.265 29.891 28.014 1.00 17.83 C ATOM 0 H THR C 40 25.196 32.507 26.943 1.00 18.40 H new ATOM 0 HA THR C 40 24.535 30.162 26.115 1.00 19.25 H new ATOM 0 HB THR C 40 24.298 29.690 28.550 1.00 20.00 H new ATOM 0 HG1 THR C 40 24.245 31.421 29.645 1.00 19.47 H new ATOM 0 HG21 THR C 40 26.620 29.653 28.885 1.00 17.83 H new ATOM 0 HG22 THR C 40 26.270 29.110 27.439 1.00 17.83 H new ATOM 0 HG23 THR C 40 26.816 30.585 27.620 1.00 17.83 H new ATOM 1954 N GLY C 41 22.131 29.643 26.469 1.00 20.02 N ATOM 1955 CA GLY C 41 20.691 29.481 26.548 1.00 22.03 C ATOM 1956 C GLY C 41 19.875 30.473 25.738 1.00 23.72 C ATOM 1957 O GLY C 41 18.842 30.951 26.207 1.00 23.07 O ATOM 0 H GLY C 41 22.549 28.978 26.120 1.00 20.02 H new ATOM 0 HA2 GLY C 41 20.466 28.585 26.254 1.00 22.03 H new ATOM 0 HA3 GLY C 41 20.424 29.550 27.478 1.00 22.03 H new ATOM 1958 N GLN C 42 20.323 30.775 24.522 1.00 24.27 N ATOM 1959 CA GLN C 42 19.609 31.722 23.674 1.00 26.18 C ATOM 1960 C GLN C 42 19.001 31.086 22.429 1.00 25.92 C ATOM 1961 O GLN C 42 18.374 31.775 21.626 1.00 26.63 O ATOM 1962 CB GLN C 42 20.540 32.862 23.249 1.00 28.31 C ATOM 1963 CG GLN C 42 20.964 33.798 24.373 1.00 31.85 C ATOM 1964 CD GLN C 42 19.815 34.634 24.919 1.00 35.85 C ATOM 1965 OE1 GLN C 42 20.031 35.732 25.443 1.00 38.12 O ATOM 1966 NE2 GLN C 42 18.592 34.119 24.810 1.00 35.50 N ATOM 0 H GLN C 42 21.035 30.444 24.172 1.00 24.27 H new ATOM 0 HA GLN C 42 18.876 32.060 24.212 1.00 26.18 H new ATOM 0 HB2 GLN C 42 21.336 32.479 22.847 1.00 28.31 H new ATOM 0 HB3 GLN C 42 20.098 33.384 22.561 1.00 28.31 H new ATOM 0 HG2 GLN C 42 21.348 33.275 25.094 1.00 31.85 H new ATOM 0 HG3 GLN C 42 21.661 34.389 24.049 1.00 31.85 H new ATOM 0 HE21 GLN C 42 18.480 33.351 24.439 1.00 35.50 H new ATOM 0 HE22 GLN C 42 17.914 34.554 25.111 1.00 35.50 H new ATOM 1967 N ALA C 43 19.186 29.781 22.260 1.00 25.09 N ATOM 1968 CA ALA C 43 18.632 29.101 21.093 1.00 22.92 C ATOM 1969 C ALA C 43 17.107 29.090 21.168 1.00 22.05 C ATOM 1970 O ALA C 43 16.518 28.466 22.051 1.00 19.25 O ATOM 1971 CB ALA C 43 19.168 27.675 21.003 1.00 24.18 C ATOM 0 H ALA C 43 19.623 29.276 22.801 1.00 25.09 H new ATOM 0 HA ALA C 43 18.903 29.582 20.295 1.00 22.92 H new ATOM 0 HB1 ALA C 43 18.792 27.236 20.224 1.00 24.18 H new ATOM 0 HB2 ALA C 43 20.135 27.697 20.926 1.00 24.18 H new ATOM 0 HB3 ALA C 43 18.919 27.184 21.802 1.00 24.18 H new ATOM 1972 N PRO C 44 16.448 29.791 20.235 1.00 22.50 N ATOM 1973 CA PRO C 44 14.985 29.874 20.182 1.00 22.91 C ATOM 1974 C PRO C 44 14.288 28.517 20.131 1.00 22.75 C ATOM 1975 O PRO C 44 14.671 27.641 19.359 1.00 24.10 O ATOM 1976 CB PRO C 44 14.734 30.690 18.914 1.00 21.92 C ATOM 1977 CG PRO C 44 15.924 31.597 18.866 1.00 22.80 C ATOM 1978 CD PRO C 44 17.052 30.639 19.190 1.00 23.36 C ATOM 0 HA PRO C 44 14.619 30.274 20.986 1.00 22.91 H new ATOM 0 HB2 PRO C 44 14.679 30.125 18.127 1.00 21.92 H new ATOM 0 HB3 PRO C 44 13.903 31.188 18.964 1.00 21.92 H new ATOM 0 HG2 PRO C 44 16.034 32.008 17.994 1.00 22.80 H new ATOM 0 HG3 PRO C 44 15.860 32.317 19.513 1.00 22.80 H new ATOM 0 HD2 PRO C 44 17.322 30.122 18.415 1.00 23.36 H new ATOM 0 HD3 PRO C 44 17.841 31.103 19.511 1.00 23.36 H new ATOM 1979 N GLY C 45 13.264 28.351 20.959 1.00 21.40 N ATOM 1980 CA GLY C 45 12.515 27.111 20.961 1.00 19.56 C ATOM 1981 C GLY C 45 13.114 25.934 21.708 1.00 19.65 C ATOM 1982 O GLY C 45 12.627 24.815 21.566 1.00 20.06 O ATOM 0 H GLY C 45 12.991 28.941 21.522 1.00 21.40 H new ATOM 0 HA2 GLY C 45 11.639 27.291 21.338 1.00 19.56 H new ATOM 0 HA3 GLY C 45 12.378 26.842 20.039 1.00 19.56 H new ATOM 1983 N PHE C 46 14.161 26.156 22.497 1.00 18.15 N ATOM 1984 CA PHE C 46 14.758 25.054 23.249 1.00 16.82 C ATOM 1985 C PHE C 46 14.574 25.266 24.744 1.00 15.88 C ATOM 1986 O PHE C 46 14.721 26.378 25.246 1.00 14.32 O ATOM 1987 CB PHE C 46 16.254 24.922 22.949 1.00 15.55 C ATOM 1988 CG PHE C 46 16.890 23.717 23.588 1.00 14.72 C ATOM 1989 CD1 PHE C 46 16.854 22.479 22.955 1.00 14.27 C ATOM 1990 CD2 PHE C 46 17.506 23.815 24.829 1.00 14.64 C ATOM 1991 CE1 PHE C 46 17.424 21.357 23.544 1.00 13.36 C ATOM 1992 CE2 PHE C 46 18.078 22.698 25.431 1.00 12.86 C ATOM 1993 CZ PHE C 46 18.038 21.467 24.787 1.00 15.06 C ATOM 0 H PHE C 46 14.536 26.922 22.611 1.00 18.15 H new ATOM 0 HA PHE C 46 14.307 24.240 22.974 1.00 16.82 H new ATOM 0 HB2 PHE C 46 16.381 24.875 21.989 1.00 15.55 H new ATOM 0 HB3 PHE C 46 16.710 25.721 23.257 1.00 15.55 H new ATOM 0 HD1 PHE C 46 16.442 22.401 22.125 1.00 14.27 H new ATOM 0 HD2 PHE C 46 17.537 24.637 25.263 1.00 14.64 H new ATOM 0 HE1 PHE C 46 17.395 20.536 23.109 1.00 13.36 H new ATOM 0 HE2 PHE C 46 18.486 22.775 26.263 1.00 12.86 H new ATOM 0 HZ PHE C 46 18.421 20.719 25.186 1.00 15.06 H new ATOM 1994 N THR C 47 14.262 24.187 25.455 1.00 17.23 N ATOM 1995 CA THR C 47 14.059 24.268 26.894 1.00 17.40 C ATOM 1996 C THR C 47 15.378 23.983 27.604 1.00 16.32 C ATOM 1997 O THR C 47 15.858 22.853 27.626 1.00 16.17 O ATOM 1998 CB THR C 47 12.977 23.263 27.367 1.00 19.34 C ATOM 1999 OG1 THR C 47 11.759 23.500 26.645 1.00 19.39 O ATOM 2000 CG2 THR C 47 12.708 23.423 28.865 1.00 18.74 C ATOM 0 H THR C 47 14.164 23.400 25.122 1.00 17.23 H new ATOM 0 HA THR C 47 13.751 25.162 27.113 1.00 17.40 H new ATOM 0 HB THR C 47 13.297 22.363 27.199 1.00 19.34 H new ATOM 0 HG1 THR C 47 11.172 22.955 26.899 1.00 19.39 H new ATOM 0 HG21 THR C 47 12.030 22.787 29.142 1.00 18.74 H new ATOM 0 HG22 THR C 47 13.526 23.259 29.360 1.00 18.74 H new ATOM 0 HG23 THR C 47 12.398 24.324 29.044 1.00 18.74 H new ATOM 2001 N TYR C 48 15.962 25.031 28.170 1.00 15.83 N ATOM 2002 CA TYR C 48 17.228 24.938 28.882 1.00 16.67 C ATOM 2003 C TYR C 48 16.997 24.758 30.379 1.00 18.51 C ATOM 2004 O TYR C 48 15.901 25.006 30.885 1.00 19.04 O ATOM 2005 CB TYR C 48 18.031 26.228 28.689 1.00 13.32 C ATOM 2006 CG TYR C 48 18.617 26.439 27.317 1.00 11.30 C ATOM 2007 CD1 TYR C 48 19.816 25.822 26.950 1.00 9.61 C ATOM 2008 CD2 TYR C 48 17.981 27.267 26.386 1.00 10.35 C ATOM 2009 CE1 TYR C 48 20.375 26.021 25.691 1.00 8.85 C ATOM 2010 CE2 TYR C 48 18.525 27.473 25.123 1.00 10.43 C ATOM 2011 CZ TYR C 48 19.727 26.848 24.779 1.00 11.41 C ATOM 2012 OH TYR C 48 20.288 27.062 23.538 1.00 8.17 O ATOM 0 H TYR C 48 15.631 25.824 28.151 1.00 15.83 H new ATOM 0 HA TYR C 48 17.710 24.174 28.527 1.00 16.67 H new ATOM 0 HB2 TYR C 48 17.455 26.981 28.895 1.00 13.32 H new ATOM 0 HB3 TYR C 48 18.754 26.238 29.336 1.00 13.32 H new ATOM 0 HD1 TYR C 48 20.249 25.268 27.559 1.00 9.61 H new ATOM 0 HD2 TYR C 48 17.183 27.686 26.615 1.00 10.35 H new ATOM 0 HE1 TYR C 48 21.174 25.605 25.461 1.00 8.85 H new ATOM 0 HE2 TYR C 48 18.092 28.023 24.511 1.00 10.43 H new ATOM 0 HH TYR C 48 21.110 26.890 23.568 1.00 8.17 H new ATOM 2013 N THR C 49 18.040 24.321 31.079 1.00 20.42 N ATOM 2014 CA THR C 49 17.987 24.183 32.531 1.00 19.73 C ATOM 2015 C THR C 49 18.219 25.606 33.021 1.00 19.96 C ATOM 2016 O THR C 49 18.817 26.419 32.303 1.00 19.79 O ATOM 2017 CB THR C 49 19.138 23.329 33.072 1.00 20.29 C ATOM 2018 OG1 THR C 49 20.385 23.957 32.738 1.00 17.92 O ATOM 2019 CG2 THR C 49 19.089 21.918 32.482 1.00 19.68 C ATOM 0 H THR C 49 18.793 24.098 30.729 1.00 20.42 H new ATOM 0 HA THR C 49 17.158 23.767 32.813 1.00 19.73 H new ATOM 0 HB THR C 49 19.053 23.257 34.036 1.00 20.29 H new ATOM 0 HG1 THR C 49 20.763 23.522 32.127 1.00 17.92 H new ATOM 0 HG21 THR C 49 19.824 21.393 32.836 1.00 19.68 H new ATOM 0 HG22 THR C 49 18.248 21.497 32.719 1.00 19.68 H new ATOM 0 HG23 THR C 49 19.164 21.968 31.516 1.00 19.68 H new ATOM 2020 N ASP C 50 17.758 25.922 34.224 1.00 18.85 N ATOM 2021 CA ASP C 50 17.962 27.268 34.743 1.00 17.18 C ATOM 2022 C ASP C 50 19.452 27.592 34.773 1.00 15.84 C ATOM 2023 O ASP C 50 19.858 28.745 34.602 1.00 15.71 O ATOM 2024 CB ASP C 50 17.375 27.397 36.148 1.00 19.59 C ATOM 2025 CG ASP C 50 15.871 27.543 36.135 1.00 20.56 C ATOM 2026 OD1 ASP C 50 15.367 28.377 35.359 1.00 20.41 O ATOM 2027 OD2 ASP C 50 15.193 26.834 36.905 1.00 25.57 O ATOM 0 H ASP C 50 17.334 25.386 34.746 1.00 18.85 H new ATOM 0 HA ASP C 50 17.508 27.896 34.159 1.00 17.18 H new ATOM 0 HB2 ASP C 50 17.617 26.616 36.669 1.00 19.59 H new ATOM 0 HB3 ASP C 50 17.768 28.166 36.590 1.00 19.59 H new ATOM 2028 N ALA C 51 20.261 26.558 34.976 1.00 13.11 N ATOM 2029 CA ALA C 51 21.705 26.703 35.036 1.00 11.34 C ATOM 2030 C ALA C 51 22.287 27.189 33.702 1.00 11.70 C ATOM 2031 O ALA C 51 23.132 28.086 33.675 1.00 9.20 O ATOM 2032 CB ALA C 51 22.336 25.364 35.441 1.00 10.95 C ATOM 0 H ALA C 51 19.984 25.751 35.083 1.00 13.11 H new ATOM 0 HA ALA C 51 21.914 27.377 35.701 1.00 11.34 H new ATOM 0 HB1 ALA C 51 23.300 25.460 35.481 1.00 10.95 H new ATOM 0 HB2 ALA C 51 22.001 25.098 36.312 1.00 10.95 H new ATOM 0 HB3 ALA C 51 22.106 24.686 34.786 1.00 10.95 H new ATOM 2033 N ASN C 52 21.826 26.603 32.600 1.00 12.05 N ATOM 2034 CA ASN C 52 22.312 26.982 31.275 1.00 14.13 C ATOM 2035 C ASN C 52 21.647 28.290 30.848 1.00 15.11 C ATOM 2036 O ASN C 52 22.249 29.127 30.167 1.00 14.63 O ATOM 2037 CB ASN C 52 22.000 25.866 30.264 1.00 14.97 C ATOM 2038 CG ASN C 52 22.860 25.943 28.997 1.00 15.71 C ATOM 2039 OD1 ASN C 52 23.008 24.949 28.282 1.00 17.05 O ATOM 2040 ND2 ASN C 52 23.414 27.118 28.711 1.00 14.91 N ATOM 0 H ASN C 52 21.231 25.983 32.598 1.00 12.05 H new ATOM 0 HA ASN C 52 23.273 27.110 31.305 1.00 14.13 H new ATOM 0 HB2 ASN C 52 22.137 25.005 30.689 1.00 14.97 H new ATOM 0 HB3 ASN C 52 21.064 25.915 30.016 1.00 14.97 H new ATOM 0 HD21 ASN C 52 23.897 27.205 28.005 1.00 14.91 H new ATOM 0 HD22 ASN C 52 23.289 27.790 29.232 1.00 14.91 H new ATOM 2041 N LYS C 53 20.403 28.475 31.267 1.00 15.94 N ATOM 2042 CA LYS C 53 19.687 29.687 30.913 1.00 15.82 C ATOM 2043 C LYS C 53 20.285 30.887 31.647 1.00 16.54 C ATOM 2044 O LYS C 53 20.154 32.024 31.190 1.00 17.72 O ATOM 2045 CB LYS C 53 18.198 29.530 31.252 0.50 14.09 C ATOM 2046 CG LYS C 53 17.285 30.553 30.588 0.50 14.47 C ATOM 2047 CD LYS C 53 17.077 31.788 31.448 0.50 15.16 C ATOM 2048 CE LYS C 53 16.223 31.475 32.675 0.50 16.14 C ATOM 2049 NZ LYS C 53 16.004 32.673 33.539 0.50 15.47 N ATOM 0 H LYS C 53 19.961 27.918 31.751 1.00 15.94 H new ATOM 0 HA LYS C 53 19.773 29.841 29.959 1.00 15.82 H new ATOM 0 HB2 LYS C 53 17.911 28.641 30.992 0.50 14.09 H new ATOM 0 HB3 LYS C 53 18.089 29.593 32.214 0.50 14.09 H new ATOM 0 HG2 LYS C 53 17.665 30.816 29.735 0.50 14.47 H new ATOM 0 HG3 LYS C 53 16.426 30.143 30.402 0.50 14.47 H new ATOM 0 HD2 LYS C 53 17.937 32.136 31.731 0.50 15.16 H new ATOM 0 HD3 LYS C 53 16.649 32.482 30.922 0.50 15.16 H new ATOM 0 HE2 LYS C 53 15.365 31.126 32.388 0.50 16.14 H new ATOM 0 HE3 LYS C 53 16.653 30.779 33.196 0.50 16.14 H new ATOM 0 HZ1 LYS C 53 15.566 32.432 34.275 0.50 15.47 H new ATOM 0 HZ2 LYS C 53 16.790 33.025 33.764 0.50 15.47 H new ATOM 0 HZ3 LYS C 53 15.525 33.277 33.094 0.50 15.47 H new ATOM 2050 N ASN C 54 20.979 30.634 32.757 1.00 16.79 N ATOM 2051 CA ASN C 54 21.544 31.730 33.545 1.00 16.80 C ATOM 2052 C ASN C 54 23.057 31.788 33.735 1.00 15.36 C ATOM 2053 O ASN C 54 23.537 32.565 34.565 1.00 13.61 O ATOM 2054 CB ASN C 54 20.878 31.763 34.924 1.00 18.72 C ATOM 2055 CG ASN C 54 19.369 31.660 34.836 1.00 21.91 C ATOM 2056 OD1 ASN C 54 18.742 32.283 33.976 1.00 21.66 O ATOM 2057 ND2 ASN C 54 18.776 30.874 35.728 1.00 22.75 N ATOM 0 H ASN C 54 21.133 29.847 33.068 1.00 16.79 H new ATOM 0 HA ASN C 54 21.352 32.507 32.997 1.00 16.80 H new ATOM 0 HB2 ASN C 54 21.219 31.032 35.463 1.00 18.72 H new ATOM 0 HB3 ASN C 54 21.118 32.586 35.377 1.00 18.72 H new ATOM 0 HD21 ASN C 54 17.921 30.784 35.720 1.00 22.75 H new ATOM 0 HD22 ASN C 54 19.247 30.455 36.313 1.00 22.75 H new ATOM 2058 N LYS C 55 23.807 30.989 32.980 1.00 13.40 N ATOM 2059 CA LYS C 55 25.265 30.996 33.094 1.00 13.72 C ATOM 2060 C LYS C 55 25.790 32.412 32.836 1.00 15.08 C ATOM 2061 O LYS C 55 26.812 32.824 33.390 1.00 14.16 O ATOM 2062 CB LYS C 55 25.875 30.008 32.092 1.00 15.18 C ATOM 2063 CG LYS C 55 27.394 30.062 31.980 1.00 13.45 C ATOM 2064 CD LYS C 55 28.076 29.789 33.307 1.00 14.40 C ATOM 2065 CE LYS C 55 29.588 29.902 33.172 1.00 13.51 C ATOM 2066 NZ LYS C 55 30.294 29.802 34.477 1.00 9.05 N ATOM 0 H LYS C 55 23.494 30.438 32.398 1.00 13.40 H new ATOM 0 HA LYS C 55 25.520 30.722 33.989 1.00 13.72 H new ATOM 0 HB2 LYS C 55 25.614 29.109 32.345 1.00 15.18 H new ATOM 0 HB3 LYS C 55 25.493 30.178 31.217 1.00 15.18 H new ATOM 0 HG2 LYS C 55 27.692 29.411 31.325 1.00 13.45 H new ATOM 0 HG3 LYS C 55 27.662 30.935 31.654 1.00 13.45 H new ATOM 0 HD2 LYS C 55 27.759 30.418 33.974 1.00 14.40 H new ATOM 0 HD3 LYS C 55 27.841 28.901 33.620 1.00 14.40 H new ATOM 0 HE2 LYS C 55 29.909 29.202 32.581 1.00 13.51 H new ATOM 0 HE3 LYS C 55 29.809 30.749 32.754 1.00 13.51 H new ATOM 0 HZ1 LYS C 55 31.092 30.191 34.414 1.00 9.05 H new ATOM 0 HZ2 LYS C 55 29.814 30.210 35.106 1.00 9.05 H new ATOM 0 HZ3 LYS C 55 30.399 28.945 34.693 1.00 9.05 H new ATOM 2067 N GLY C 56 25.075 33.145 31.989 1.00 15.62 N ATOM 2068 CA GLY C 56 25.439 34.515 31.677 1.00 16.39 C ATOM 2069 C GLY C 56 26.765 34.759 30.988 1.00 15.58 C ATOM 2070 O GLY C 56 27.476 35.685 31.362 1.00 16.67 O ATOM 0 H GLY C 56 24.371 32.862 31.584 1.00 15.62 H new ATOM 0 HA2 GLY C 56 24.740 34.888 31.117 1.00 16.39 H new ATOM 0 HA3 GLY C 56 25.438 35.019 32.506 1.00 16.39 H new ATOM 2071 N ILE C 57 27.106 33.942 29.992 1.00 15.08 N ATOM 2072 CA ILE C 57 28.356 34.122 29.252 1.00 12.88 C ATOM 2073 C ILE C 57 28.114 34.060 27.735 1.00 12.59 C ATOM 2074 O ILE C 57 27.042 33.654 27.282 1.00 12.61 O ATOM 2075 CB ILE C 57 29.421 33.062 29.657 1.00 13.95 C ATOM 2076 CG1 ILE C 57 28.952 31.653 29.280 1.00 13.64 C ATOM 2077 CG2 ILE C 57 29.696 33.145 31.150 1.00 13.69 C ATOM 2078 CD1 ILE C 57 29.271 31.252 27.850 1.00 12.07 C ATOM 0 H ILE C 57 26.628 33.277 29.729 1.00 15.08 H new ATOM 0 HA ILE C 57 28.696 35.001 29.482 1.00 12.88 H new ATOM 0 HB ILE C 57 30.242 33.248 29.175 1.00 13.95 H new ATOM 0 HG12 ILE C 57 29.363 31.014 29.884 1.00 13.64 H new ATOM 0 HG13 ILE C 57 27.993 31.595 29.415 1.00 13.64 H new ATOM 0 HG21 ILE C 57 30.360 32.482 31.394 1.00 13.69 H new ATOM 0 HG22 ILE C 57 30.027 34.030 31.370 1.00 13.69 H new ATOM 0 HG23 ILE C 57 28.876 32.976 31.640 1.00 13.69 H new ATOM 0 HD11 ILE C 57 28.946 30.353 27.686 1.00 12.07 H new ATOM 0 HD12 ILE C 57 28.840 31.868 27.237 1.00 12.07 H new ATOM 0 HD13 ILE C 57 30.231 31.278 27.713 1.00 12.07 H new ATOM 2079 N THR C 58 29.114 34.460 26.958 1.00 9.86 N ATOM 2080 CA THR C 58 29.006 34.471 25.507 1.00 9.73 C ATOM 2081 C THR C 58 29.922 33.419 24.901 1.00 11.87 C ATOM 2082 O THR C 58 31.135 33.422 25.120 1.00 11.77 O ATOM 2083 CB THR C 58 29.369 35.869 24.945 1.00 10.80 C ATOM 2084 OG1 THR C 58 28.460 36.841 25.479 1.00 11.06 O ATOM 2085 CG2 THR C 58 29.278 35.893 23.421 1.00 9.41 C ATOM 0 H THR C 58 29.873 34.732 27.258 1.00 9.86 H new ATOM 0 HA THR C 58 28.088 34.267 25.269 1.00 9.73 H new ATOM 0 HB THR C 58 30.281 36.074 25.204 1.00 10.80 H new ATOM 0 HG1 THR C 58 28.654 37.601 25.178 1.00 11.06 H new ATOM 0 HG21 THR C 58 29.510 36.777 23.097 1.00 9.41 H new ATOM 0 HG22 THR C 58 29.893 35.241 23.050 1.00 9.41 H new ATOM 0 HG23 THR C 58 28.373 35.675 23.147 1.00 9.41 H new ATOM 2086 N TRP C 59 29.333 32.506 24.145 1.00 12.01 N ATOM 2087 CA TRP C 59 30.103 31.451 23.525 1.00 13.91 C ATOM 2088 C TRP C 59 31.093 31.965 22.485 1.00 14.15 C ATOM 2089 O TRP C 59 30.741 32.739 21.593 1.00 15.94 O ATOM 2090 CB TRP C 59 29.160 30.423 22.893 1.00 13.85 C ATOM 2091 CG TRP C 59 28.398 29.631 23.915 1.00 14.22 C ATOM 2092 CD1 TRP C 59 27.039 29.533 24.040 1.00 12.89 C ATOM 2093 CD2 TRP C 59 28.957 28.807 24.948 1.00 12.11 C ATOM 2094 NE1 TRP C 59 26.721 28.697 25.085 1.00 12.99 N ATOM 2095 CE2 TRP C 59 27.879 28.238 25.658 1.00 12.31 C ATOM 2096 CE3 TRP C 59 30.266 28.493 25.340 1.00 11.24 C ATOM 2097 CZ2 TRP C 59 28.071 27.368 26.741 1.00 13.79 C ATOM 2098 CZ3 TRP C 59 30.455 27.631 26.416 1.00 13.10 C ATOM 2099 CH2 TRP C 59 29.362 27.079 27.103 1.00 12.21 C ATOM 0 H TRP C 59 28.489 32.482 23.980 1.00 12.01 H new ATOM 0 HA TRP C 59 30.629 31.035 24.226 1.00 13.91 H new ATOM 0 HB2 TRP C 59 28.533 30.880 22.310 1.00 13.85 H new ATOM 0 HB3 TRP C 59 29.674 29.817 22.337 1.00 13.85 H new ATOM 0 HD1 TRP C 59 26.421 29.968 23.498 1.00 12.89 H new ATOM 0 HE1 TRP C 59 25.924 28.495 25.338 1.00 12.99 H new ATOM 0 HE3 TRP C 59 30.995 28.854 24.889 1.00 11.24 H new ATOM 0 HZ2 TRP C 59 27.349 27.000 27.197 1.00 13.79 H new ATOM 0 HZ3 TRP C 59 31.319 27.417 26.684 1.00 13.10 H new ATOM 0 HH2 TRP C 59 29.517 26.505 27.819 1.00 12.21 H new ATOM 2100 N LYS C 60 32.337 31.532 22.640 1.00 14.64 N ATOM 2101 CA LYS C 60 33.441 31.855 21.740 1.00 15.54 C ATOM 2102 C LYS C 60 34.527 30.831 22.063 1.00 15.27 C ATOM 2103 O LYS C 60 34.344 30.006 22.961 1.00 12.08 O ATOM 2104 CB LYS C 60 33.939 33.286 21.974 1.00 18.41 C ATOM 2105 CG LYS C 60 34.359 33.596 23.398 1.00 22.61 C ATOM 2106 CD LYS C 60 33.870 34.982 23.824 1.00 26.52 C ATOM 2107 CE LYS C 60 34.237 36.070 22.806 1.00 28.80 C ATOM 2108 NZ LYS C 60 33.768 37.431 23.226 1.00 28.19 N ATOM 0 H LYS C 60 32.572 31.025 23.294 1.00 14.64 H new ATOM 0 HA LYS C 60 33.175 31.815 20.808 1.00 15.54 H new ATOM 0 HB2 LYS C 60 34.692 33.452 21.386 1.00 18.41 H new ATOM 0 HB3 LYS C 60 33.237 33.904 21.717 1.00 18.41 H new ATOM 0 HG2 LYS C 60 34.000 32.924 23.998 1.00 22.61 H new ATOM 0 HG3 LYS C 60 35.325 33.554 23.470 1.00 22.61 H new ATOM 0 HD2 LYS C 60 32.907 34.961 23.939 1.00 26.52 H new ATOM 0 HD3 LYS C 60 34.253 35.207 24.686 1.00 26.52 H new ATOM 0 HE2 LYS C 60 35.199 36.085 22.686 1.00 28.80 H new ATOM 0 HE3 LYS C 60 33.848 35.848 21.946 1.00 28.80 H new ATOM 0 HZ1 LYS C 60 34.001 38.029 22.609 1.00 28.19 H new ATOM 0 HZ2 LYS C 60 32.882 37.426 23.314 1.00 28.19 H new ATOM 0 HZ3 LYS C 60 34.142 37.647 24.004 1.00 28.19 H new ATOM 2109 N GLU C 61 35.645 30.866 21.345 1.00 15.92 N ATOM 2110 CA GLU C 61 36.718 29.905 21.588 1.00 15.85 C ATOM 2111 C GLU C 61 37.118 29.777 23.055 1.00 15.48 C ATOM 2112 O GLU C 61 37.189 28.666 23.585 1.00 13.35 O ATOM 2113 CB GLU C 61 37.955 30.250 20.754 1.00 18.23 C ATOM 2114 CG GLU C 61 37.765 30.049 19.263 1.00 19.40 C ATOM 2115 CD GLU C 61 37.570 31.353 18.527 1.00 21.74 C ATOM 2116 OE1 GLU C 61 36.766 32.193 18.995 1.00 22.75 O ATOM 2117 OE2 GLU C 61 38.220 31.534 17.476 1.00 22.95 O ATOM 0 H GLU C 61 35.802 31.433 20.718 1.00 15.92 H new ATOM 0 HA GLU C 61 36.357 29.046 21.319 1.00 15.85 H new ATOM 0 HB2 GLU C 61 38.198 31.175 20.919 1.00 18.23 H new ATOM 0 HB3 GLU C 61 38.699 29.704 21.053 1.00 18.23 H new ATOM 0 HG2 GLU C 61 38.538 29.588 18.900 1.00 19.40 H new ATOM 0 HG3 GLU C 61 36.996 29.477 19.112 1.00 19.40 H new ATOM 2118 N GLU C 62 37.375 30.910 23.707 1.00 15.59 N ATOM 2119 CA GLU C 62 37.775 30.901 25.112 1.00 16.62 C ATOM 2120 C GLU C 62 36.798 30.063 25.946 1.00 13.79 C ATOM 2121 O GLU C 62 37.161 29.025 26.503 1.00 11.95 O ATOM 2122 CB GLU C 62 37.808 32.326 25.689 1.00 21.35 C ATOM 2123 CG GLU C 62 38.320 33.434 24.761 1.00 28.25 C ATOM 2124 CD GLU C 62 39.822 33.395 24.504 1.00 31.39 C ATOM 2125 OE1 GLU C 62 40.316 32.382 23.960 1.00 33.55 O ATOM 2126 OE2 GLU C 62 40.506 34.390 24.842 1.00 32.18 O ATOM 0 H GLU C 62 37.324 31.693 23.354 1.00 15.59 H new ATOM 0 HA GLU C 62 38.664 30.515 25.155 1.00 16.62 H new ATOM 0 HB2 GLU C 62 36.910 32.559 25.972 1.00 21.35 H new ATOM 0 HB3 GLU C 62 38.363 32.318 26.485 1.00 21.35 H new ATOM 0 HG2 GLU C 62 37.856 33.370 23.912 1.00 28.25 H new ATOM 0 HG3 GLU C 62 38.091 34.295 25.145 1.00 28.25 H new ATOM 2127 N THR C 63 35.555 30.524 26.015 1.00 11.47 N ATOM 2128 CA THR C 63 34.517 29.860 26.791 1.00 11.95 C ATOM 2129 C THR C 63 34.223 28.415 26.389 1.00 10.92 C ATOM 2130 O THR C 63 34.012 27.563 27.250 1.00 11.07 O ATOM 2131 CB THR C 63 33.224 30.687 26.762 1.00 11.18 C ATOM 2132 OG1 THR C 63 32.839 30.939 25.407 1.00 12.33 O ATOM 2133 CG2 THR C 63 33.450 32.017 27.465 1.00 12.64 C ATOM 0 H THR C 63 35.289 31.235 25.611 1.00 11.47 H new ATOM 0 HA THR C 63 34.873 29.806 27.692 1.00 11.95 H new ATOM 0 HB THR C 63 32.524 30.191 27.214 1.00 11.18 H new ATOM 0 HG1 THR C 63 32.451 31.682 25.359 1.00 12.33 H new ATOM 0 HG21 THR C 63 32.631 32.537 27.445 1.00 12.64 H new ATOM 0 HG22 THR C 63 33.708 31.857 28.386 1.00 12.64 H new ATOM 0 HG23 THR C 63 34.155 32.507 27.013 1.00 12.64 H new ATOM 2134 N LEU C 64 34.213 28.135 25.089 1.00 10.74 N ATOM 2135 CA LEU C 64 33.968 26.777 24.616 1.00 9.64 C ATOM 2136 C LEU C 64 35.061 25.830 25.100 1.00 10.00 C ATOM 2137 O LEU C 64 34.776 24.700 25.487 1.00 11.50 O ATOM 2138 CB LEU C 64 33.896 26.737 23.087 1.00 8.21 C ATOM 2139 CG LEU C 64 32.589 27.228 22.456 1.00 10.24 C ATOM 2140 CD1 LEU C 64 32.709 27.188 20.940 1.00 9.08 C ATOM 2141 CD2 LEU C 64 31.436 26.361 22.920 1.00 6.73 C ATOM 0 H LEU C 64 34.345 28.714 24.467 1.00 10.74 H new ATOM 0 HA LEU C 64 33.116 26.488 24.979 1.00 9.64 H new ATOM 0 HB2 LEU C 64 34.624 27.272 22.734 1.00 8.21 H new ATOM 0 HB3 LEU C 64 34.049 25.824 22.799 1.00 8.21 H new ATOM 0 HG LEU C 64 32.419 28.142 22.733 1.00 10.24 H new ATOM 0 HD11 LEU C 64 31.881 27.499 20.541 1.00 9.08 H new ATOM 0 HD12 LEU C 64 33.439 27.761 20.658 1.00 9.08 H new ATOM 0 HD13 LEU C 64 32.884 26.278 20.653 1.00 9.08 H new ATOM 0 HD21 LEU C 64 30.612 26.676 22.518 1.00 6.73 H new ATOM 0 HD22 LEU C 64 31.594 25.442 22.654 1.00 6.73 H new ATOM 0 HD23 LEU C 64 31.363 26.409 23.886 1.00 6.73 H new ATOM 2142 N MET C 65 36.309 26.291 25.083 1.00 11.25 N ATOM 2143 CA MET C 65 37.433 25.467 25.525 1.00 14.36 C ATOM 2144 C MET C 65 37.238 24.953 26.945 1.00 16.08 C ATOM 2145 O MET C 65 37.412 23.763 27.222 1.00 16.30 O ATOM 2146 CB MET C 65 38.736 26.262 25.457 1.00 16.68 C ATOM 2147 CG MET C 65 39.346 26.358 24.070 1.00 23.08 C ATOM 2148 SD MET C 65 39.871 24.739 23.435 1.00 29.30 S ATOM 2149 CE MET C 65 41.274 24.392 24.508 1.00 26.50 C ATOM 0 H MET C 65 36.527 27.080 24.819 1.00 11.25 H new ATOM 0 HA MET C 65 37.478 24.705 24.927 1.00 14.36 H new ATOM 0 HB2 MET C 65 38.572 27.159 25.788 1.00 16.68 H new ATOM 0 HB3 MET C 65 39.382 25.853 26.054 1.00 16.68 H new ATOM 0 HG2 MET C 65 38.700 26.748 23.461 1.00 23.08 H new ATOM 0 HG3 MET C 65 40.109 26.956 24.095 1.00 23.08 H new ATOM 0 HE1 MET C 65 42.081 24.322 23.974 1.00 26.50 H new ATOM 0 HE2 MET C 65 41.375 25.111 25.152 1.00 26.50 H new ATOM 0 HE3 MET C 65 41.124 23.557 24.977 1.00 26.50 H new ATOM 2150 N GLU C 66 36.878 25.861 27.843 1.00 16.61 N ATOM 2151 CA GLU C 66 36.669 25.511 29.236 1.00 17.94 C ATOM 2152 C GLU C 66 35.442 24.620 29.395 1.00 17.91 C ATOM 2153 O GLU C 66 35.502 23.577 30.044 1.00 19.33 O ATOM 2154 CB GLU C 66 36.535 26.794 30.079 1.00 17.82 C ATOM 2155 CG GLU C 66 36.104 26.562 31.524 1.00 21.06 C ATOM 2156 CD GLU C 66 36.705 27.566 32.495 1.00 21.36 C ATOM 2157 OE1 GLU C 66 36.633 28.791 32.240 1.00 21.88 O ATOM 2158 OE2 GLU C 66 37.250 27.123 33.525 1.00 24.35 O ATOM 0 H GLU C 66 36.749 26.692 27.662 1.00 16.61 H new ATOM 0 HA GLU C 66 37.436 25.009 29.552 1.00 17.94 H new ATOM 0 HB2 GLU C 66 37.387 27.258 30.078 1.00 17.82 H new ATOM 0 HB3 GLU C 66 35.892 27.382 29.652 1.00 17.82 H new ATOM 0 HG2 GLU C 66 35.137 26.607 31.578 1.00 21.06 H new ATOM 0 HG3 GLU C 66 36.362 25.666 31.793 1.00 21.06 H new ATOM 2159 N TYR C 67 34.331 25.022 28.793 1.00 17.47 N ATOM 2160 CA TYR C 67 33.102 24.243 28.892 1.00 15.84 C ATOM 2161 C TYR C 67 33.284 22.801 28.435 1.00 15.16 C ATOM 2162 O TYR C 67 32.978 21.862 29.173 1.00 13.93 O ATOM 2163 CB TYR C 67 32.005 24.881 28.046 1.00 14.18 C ATOM 2164 CG TYR C 67 30.750 24.042 27.918 1.00 13.03 C ATOM 2165 CD1 TYR C 67 29.831 23.961 28.965 1.00 13.95 C ATOM 2166 CD2 TYR C 67 30.453 23.379 26.726 1.00 11.89 C ATOM 2167 CE1 TYR C 67 28.639 23.252 28.821 1.00 12.63 C ATOM 2168 CE2 TYR C 67 29.269 22.666 26.571 1.00 11.01 C ATOM 2169 CZ TYR C 67 28.362 22.609 27.620 1.00 13.88 C ATOM 2170 OH TYR C 67 27.172 21.931 27.462 1.00 9.54 O ATOM 0 H TYR C 67 34.266 25.740 28.324 1.00 17.47 H new ATOM 0 HA TYR C 67 32.855 24.237 29.830 1.00 15.84 H new ATOM 0 HB2 TYR C 67 31.770 25.739 28.433 1.00 14.18 H new ATOM 0 HB3 TYR C 67 32.356 25.057 27.159 1.00 14.18 H new ATOM 0 HD1 TYR C 67 30.016 24.386 29.771 1.00 13.95 H new ATOM 0 HD2 TYR C 67 31.059 23.415 26.021 1.00 11.89 H new ATOM 0 HE1 TYR C 67 28.032 23.209 29.525 1.00 12.63 H new ATOM 0 HE2 TYR C 67 29.086 22.230 25.770 1.00 11.01 H new ATOM 0 HH TYR C 67 26.758 22.241 26.800 1.00 9.54 H new ATOM 2171 N LEU C 68 33.775 22.637 27.211 1.00 14.51 N ATOM 2172 CA LEU C 68 33.962 21.313 26.629 1.00 14.58 C ATOM 2173 C LEU C 68 34.869 20.350 27.388 1.00 14.65 C ATOM 2174 O LEU C 68 34.758 19.136 27.211 1.00 13.21 O ATOM 2175 CB LEU C 68 34.434 21.438 25.174 1.00 12.91 C ATOM 2176 CG LEU C 68 33.354 21.950 24.211 1.00 15.49 C ATOM 2177 CD1 LEU C 68 33.920 22.114 22.803 1.00 14.98 C ATOM 2178 CD2 LEU C 68 32.177 20.979 24.209 1.00 13.40 C ATOM 0 H LEU C 68 34.008 23.286 26.697 1.00 14.51 H new ATOM 0 HA LEU C 68 33.083 20.907 26.687 1.00 14.58 H new ATOM 0 HB2 LEU C 68 35.195 22.038 25.141 1.00 12.91 H new ATOM 0 HB3 LEU C 68 34.743 20.571 24.868 1.00 12.91 H new ATOM 0 HG LEU C 68 33.048 22.821 24.510 1.00 15.49 H new ATOM 0 HD11 LEU C 68 33.224 22.438 22.210 1.00 14.98 H new ATOM 0 HD12 LEU C 68 34.652 22.751 22.820 1.00 14.98 H new ATOM 0 HD13 LEU C 68 34.245 21.258 22.483 1.00 14.98 H new ATOM 0 HD21 LEU C 68 31.493 21.301 23.601 1.00 13.40 H new ATOM 0 HD22 LEU C 68 32.480 20.104 23.921 1.00 13.40 H new ATOM 0 HD23 LEU C 68 31.809 20.915 25.104 1.00 13.40 H new ATOM 2179 N GLU C 69 35.762 20.866 28.228 1.00 16.33 N ATOM 2180 CA GLU C 69 36.633 19.967 28.972 1.00 18.08 C ATOM 2181 C GLU C 69 35.830 19.285 30.066 1.00 17.59 C ATOM 2182 O GLU C 69 36.082 18.124 30.403 1.00 16.62 O ATOM 2183 CB GLU C 69 37.814 20.701 29.601 1.00 20.73 C ATOM 2184 CG GLU C 69 38.889 19.718 30.058 1.00 25.47 C ATOM 2185 CD GLU C 69 39.933 20.334 30.961 1.00 28.20 C ATOM 2186 OE1 GLU C 69 40.527 21.365 30.577 1.00 30.03 O ATOM 2187 OE2 GLU C 69 40.163 19.774 32.055 1.00 29.69 O ATOM 0 H GLU C 69 35.877 21.705 28.378 1.00 16.33 H new ATOM 0 HA GLU C 69 36.988 19.315 28.348 1.00 18.08 H new ATOM 0 HB2 GLU C 69 38.191 21.323 28.959 1.00 20.73 H new ATOM 0 HB3 GLU C 69 37.508 21.225 30.358 1.00 20.73 H new ATOM 0 HG2 GLU C 69 38.464 18.981 30.524 1.00 25.47 H new ATOM 0 HG3 GLU C 69 39.328 19.345 29.277 1.00 25.47 H new ATOM 2188 N ASN C 70 34.855 20.012 30.606 1.00 15.98 N ATOM 2189 CA ASN C 70 33.993 19.494 31.666 1.00 14.32 C ATOM 2190 C ASN C 70 32.776 20.411 31.772 1.00 13.59 C ATOM 2191 O ASN C 70 32.817 21.419 32.471 1.00 15.97 O ATOM 2192 CB ASN C 70 34.745 19.492 32.996 1.00 9.88 C ATOM 2193 CG ASN C 70 34.050 18.662 34.061 1.00 11.49 C ATOM 2194 OD1 ASN C 70 32.819 18.608 34.128 1.00 8.35 O ATOM 2195 ND2 ASN C 70 34.842 18.020 34.912 1.00 7.98 N ATOM 0 H ASN C 70 34.675 20.819 30.369 1.00 15.98 H new ATOM 0 HA ASN C 70 33.721 18.586 31.462 1.00 14.32 H new ATOM 0 HB2 ASN C 70 35.641 19.147 32.856 1.00 9.88 H new ATOM 0 HB3 ASN C 70 34.838 20.404 33.312 1.00 9.88 H new ATOM 0 HD21 ASN C 70 34.501 17.543 35.541 1.00 7.98 H new ATOM 0 HD22 ASN C 70 35.696 18.081 34.834 1.00 7.98 H new ATOM 2196 N PRO C 71 31.677 20.070 31.079 1.00 14.01 N ATOM 2197 CA PRO C 71 30.441 20.867 31.088 1.00 12.50 C ATOM 2198 C PRO C 71 29.860 21.161 32.473 1.00 12.84 C ATOM 2199 O PRO C 71 29.621 22.320 32.817 1.00 11.70 O ATOM 2200 CB PRO C 71 29.491 20.037 30.224 1.00 10.92 C ATOM 2201 CG PRO C 71 30.422 19.387 29.248 1.00 11.65 C ATOM 2202 CD PRO C 71 31.547 18.930 30.153 1.00 14.03 C ATOM 0 HA PRO C 71 30.602 21.763 30.753 1.00 12.50 H new ATOM 0 HB2 PRO C 71 29.004 19.383 30.749 1.00 10.92 H new ATOM 0 HB3 PRO C 71 28.831 20.591 29.779 1.00 10.92 H new ATOM 0 HG2 PRO C 71 30.003 18.645 28.784 1.00 11.65 H new ATOM 0 HG3 PRO C 71 30.730 20.008 28.569 1.00 11.65 H new ATOM 0 HD2 PRO C 71 31.328 18.108 30.618 1.00 14.03 H new ATOM 0 HD3 PRO C 71 32.366 18.767 29.660 1.00 14.03 H new ATOM 2203 N LYS C 72 29.621 20.109 33.254 1.00 13.40 N ATOM 2204 CA LYS C 72 29.060 20.249 34.600 1.00 13.50 C ATOM 2205 C LYS C 72 29.909 21.184 35.455 1.00 12.73 C ATOM 2206 O LYS C 72 29.385 22.017 36.194 1.00 14.39 O ATOM 2207 CB LYS C 72 28.969 18.870 35.273 0.50 13.16 C ATOM 2208 CG LYS C 72 28.789 18.894 36.793 0.50 15.18 C ATOM 2209 CD LYS C 72 27.448 19.489 37.229 0.50 15.32 C ATOM 2210 CE LYS C 72 27.292 19.424 38.753 0.50 14.33 C ATOM 2211 NZ LYS C 72 25.926 19.791 39.233 0.50 10.70 N ATOM 0 H LYS C 72 29.778 19.296 33.021 1.00 13.40 H new ATOM 0 HA LYS C 72 28.172 20.632 34.520 1.00 13.50 H new ATOM 0 HB2 LYS C 72 28.226 18.384 34.882 0.50 13.16 H new ATOM 0 HB3 LYS C 72 29.775 18.371 35.065 0.50 13.16 H new ATOM 0 HG2 LYS C 72 28.862 17.990 37.136 0.50 15.18 H new ATOM 0 HG3 LYS C 72 29.509 19.408 37.191 0.50 15.18 H new ATOM 0 HD2 LYS C 72 27.387 20.411 36.933 0.50 15.32 H new ATOM 0 HD3 LYS C 72 26.722 19.006 36.805 0.50 15.32 H new ATOM 0 HE2 LYS C 72 27.501 18.526 39.054 0.50 14.33 H new ATOM 0 HE3 LYS C 72 27.940 20.018 39.162 0.50 14.33 H new ATOM 0 HZ1 LYS C 72 25.839 19.557 40.087 0.50 10.70 H new ATOM 0 HZ2 LYS C 72 25.809 20.670 39.153 0.50 10.70 H new ATOM 0 HZ3 LYS C 72 25.315 19.365 38.745 0.50 10.70 H new ATOM 2212 N LYS C 73 31.224 21.042 35.338 1.00 11.65 N ATOM 2213 CA LYS C 73 32.155 21.854 36.102 1.00 11.26 C ATOM 2214 C LYS C 73 32.057 23.335 35.719 1.00 12.05 C ATOM 2215 O LYS C 73 32.190 24.205 36.576 1.00 11.30 O ATOM 2216 CB LYS C 73 33.582 21.347 35.879 0.50 10.43 C ATOM 2217 CG LYS C 73 34.615 21.884 36.854 0.50 10.89 C ATOM 2218 CD LYS C 73 35.999 21.359 36.503 0.50 12.28 C ATOM 2219 CE LYS C 73 37.048 21.794 37.514 0.50 13.40 C ATOM 2220 NZ LYS C 73 36.845 21.151 38.845 0.50 14.62 N ATOM 0 H LYS C 73 31.599 20.473 34.814 1.00 11.65 H new ATOM 0 HA LYS C 73 31.923 21.777 37.041 1.00 11.26 H new ATOM 0 HB2 LYS C 73 33.579 20.379 35.933 0.50 10.43 H new ATOM 0 HB3 LYS C 73 33.856 21.580 34.978 0.50 10.43 H new ATOM 0 HG2 LYS C 73 34.615 22.854 36.832 0.50 10.89 H new ATOM 0 HG3 LYS C 73 34.383 21.621 37.758 0.50 10.89 H new ATOM 0 HD2 LYS C 73 35.975 20.390 36.460 0.50 12.28 H new ATOM 0 HD3 LYS C 73 36.250 21.676 35.621 0.50 12.28 H new ATOM 0 HE2 LYS C 73 37.930 21.570 37.179 0.50 13.40 H new ATOM 0 HE3 LYS C 73 37.019 22.758 37.614 0.50 13.40 H new ATOM 0 HZ1 LYS C 73 37.537 21.336 39.373 0.50 14.62 H new ATOM 0 HZ2 LYS C 73 36.098 21.464 39.215 0.50 14.62 H new ATOM 0 HZ3 LYS C 73 36.778 20.270 38.742 0.50 14.62 H new ATOM 2221 N TYR C 74 31.818 23.622 34.441 1.00 10.47 N ATOM 2222 CA TYR C 74 31.722 25.012 33.986 1.00 11.29 C ATOM 2223 C TYR C 74 30.314 25.581 34.175 1.00 10.97 C ATOM 2224 O TYR C 74 30.142 26.773 34.440 1.00 10.99 O ATOM 2225 CB TYR C 74 32.139 25.109 32.514 1.00 9.88 C ATOM 2226 CG TYR C 74 32.085 26.507 31.934 1.00 9.73 C ATOM 2227 CD1 TYR C 74 32.857 27.535 32.467 1.00 12.62 C ATOM 2228 CD2 TYR C 74 31.260 26.798 30.850 1.00 10.36 C ATOM 2229 CE1 TYR C 74 32.807 28.823 31.936 1.00 12.70 C ATOM 2230 CE2 TYR C 74 31.202 28.072 30.311 1.00 11.49 C ATOM 2231 CZ TYR C 74 31.975 29.085 30.856 1.00 13.20 C ATOM 2232 OH TYR C 74 31.910 30.355 30.320 1.00 14.16 O ATOM 0 H TYR C 74 31.709 23.033 33.824 1.00 10.47 H new ATOM 0 HA TYR C 74 32.324 25.543 34.530 1.00 11.29 H new ATOM 0 HB2 TYR C 74 33.043 24.769 32.423 1.00 9.88 H new ATOM 0 HB3 TYR C 74 31.564 24.531 31.988 1.00 9.88 H new ATOM 0 HD1 TYR C 74 33.416 27.360 33.190 1.00 12.62 H new ATOM 0 HD2 TYR C 74 30.738 26.123 30.481 1.00 10.36 H new ATOM 0 HE1 TYR C 74 33.327 29.501 32.302 1.00 12.70 H new ATOM 0 HE2 TYR C 74 30.646 28.247 29.586 1.00 11.49 H new ATOM 0 HH TYR C 74 31.539 30.323 29.567 1.00 14.16 H new ATOM 2233 N ILE C 75 29.316 24.714 34.044 1.00 10.77 N ATOM 2234 CA ILE C 75 27.920 25.093 34.199 1.00 10.49 C ATOM 2235 C ILE C 75 27.237 24.112 35.143 1.00 12.86 C ATOM 2236 O ILE C 75 26.473 23.241 34.717 1.00 13.40 O ATOM 2237 CB ILE C 75 27.174 25.083 32.842 1.00 11.47 C ATOM 2238 CG1 ILE C 75 27.799 26.118 31.896 1.00 10.56 C ATOM 2239 CG2 ILE C 75 25.696 25.396 33.057 1.00 10.24 C ATOM 2240 CD1 ILE C 75 27.080 26.262 30.567 1.00 8.84 C ATOM 0 H ILE C 75 29.433 23.882 33.861 1.00 10.77 H new ATOM 0 HA ILE C 75 27.891 25.994 34.558 1.00 10.49 H new ATOM 0 HB ILE C 75 27.253 24.202 32.443 1.00 11.47 H new ATOM 0 HG12 ILE C 75 27.812 26.980 32.340 1.00 10.56 H new ATOM 0 HG13 ILE C 75 28.722 25.871 31.728 1.00 10.56 H new ATOM 0 HG21 ILE C 75 25.236 25.388 32.203 1.00 10.24 H new ATOM 0 HG22 ILE C 75 25.305 24.727 33.641 1.00 10.24 H new ATOM 0 HG23 ILE C 75 25.606 26.272 33.464 1.00 10.24 H new ATOM 0 HD11 ILE C 75 27.530 26.930 30.026 1.00 8.84 H new ATOM 0 HD12 ILE C 75 27.087 25.411 30.101 1.00 8.84 H new ATOM 0 HD13 ILE C 75 26.163 26.537 30.723 1.00 8.84 H new ATOM 2241 N PRO C 76 27.518 24.234 36.447 1.00 13.88 N ATOM 2242 CA PRO C 76 26.936 23.366 37.473 1.00 12.97 C ATOM 2243 C PRO C 76 25.433 23.245 37.276 1.00 13.12 C ATOM 2244 O PRO C 76 24.721 24.247 37.273 1.00 13.29 O ATOM 2245 CB PRO C 76 27.285 24.093 38.758 1.00 13.30 C ATOM 2246 CG PRO C 76 28.629 24.668 38.442 1.00 15.69 C ATOM 2247 CD PRO C 76 28.400 25.244 37.060 1.00 13.44 C ATOM 0 HA PRO C 76 27.268 22.455 37.457 1.00 12.97 H new ATOM 0 HB2 PRO C 76 26.637 24.783 38.971 1.00 13.30 H new ATOM 0 HB3 PRO C 76 27.318 23.490 39.517 1.00 13.30 H new ATOM 0 HG2 PRO C 76 28.893 25.348 39.081 1.00 15.69 H new ATOM 0 HG3 PRO C 76 29.324 23.992 38.444 1.00 15.69 H new ATOM 0 HD2 PRO C 76 27.981 26.118 37.096 1.00 13.44 H new ATOM 0 HD3 PRO C 76 29.230 25.348 36.568 1.00 13.44 H new ATOM 2248 N GLY C 77 24.954 22.018 37.105 1.00 13.03 N ATOM 2249 CA GLY C 77 23.531 21.810 36.901 1.00 12.57 C ATOM 2250 C GLY C 77 23.177 21.361 35.494 1.00 11.30 C ATOM 2251 O GLY C 77 22.142 20.723 35.285 1.00 11.28 O ATOM 0 H GLY C 77 25.431 21.302 37.104 1.00 13.03 H new ATOM 0 HA2 GLY C 77 23.215 21.146 37.533 1.00 12.57 H new ATOM 0 HA3 GLY C 77 23.060 22.635 37.097 1.00 12.57 H new ATOM 2252 N THR C 78 24.029 21.687 34.525 1.00 8.85 N ATOM 2253 CA THR C 78 23.764 21.296 33.145 1.00 9.17 C ATOM 2254 C THR C 78 23.806 19.771 33.022 1.00 9.16 C ATOM 2255 O THR C 78 24.709 19.120 33.542 1.00 7.74 O ATOM 2256 CB THR C 78 24.782 21.915 32.161 1.00 5.86 C ATOM 2257 OG1 THR C 78 24.381 21.594 30.828 1.00 6.74 O ATOM 2258 CG2 THR C 78 26.189 21.362 32.395 1.00 7.57 C ATOM 0 H THR C 78 24.757 22.129 34.644 1.00 8.85 H new ATOM 0 HA THR C 78 22.883 21.629 32.913 1.00 9.17 H new ATOM 0 HB THR C 78 24.801 22.875 32.300 1.00 5.86 H new ATOM 0 HG1 THR C 78 23.592 21.852 30.703 1.00 6.74 H new ATOM 0 HG21 THR C 78 26.805 21.767 31.765 1.00 7.57 H new ATOM 0 HG22 THR C 78 26.471 21.567 33.300 1.00 7.57 H new ATOM 0 HG23 THR C 78 26.184 20.400 32.269 1.00 7.57 H new ATOM 2259 N LYS C 79 22.829 19.205 32.323 1.00 10.37 N ATOM 2260 CA LYS C 79 22.755 17.755 32.184 1.00 12.26 C ATOM 2261 C LYS C 79 21.711 17.358 31.143 1.00 13.07 C ATOM 2262 O LYS C 79 20.962 18.192 30.644 1.00 12.91 O ATOM 2263 CB LYS C 79 22.356 17.151 33.531 1.00 9.67 C ATOM 2264 CG LYS C 79 20.973 17.626 33.969 1.00 12.70 C ATOM 2265 CD LYS C 79 20.663 17.364 35.441 1.00 10.95 C ATOM 2266 CE LYS C 79 19.297 17.943 35.803 1.00 7.31 C ATOM 2267 NZ LYS C 79 18.983 17.819 37.253 1.00 9.28 N ATOM 0 H LYS C 79 22.203 19.639 31.924 1.00 10.37 H new ATOM 0 HA LYS C 79 23.622 17.426 31.899 1.00 12.26 H new ATOM 0 HB2 LYS C 79 22.362 16.183 33.467 1.00 9.67 H new ATOM 0 HB3 LYS C 79 23.011 17.395 34.203 1.00 9.67 H new ATOM 0 HG2 LYS C 79 20.899 18.578 33.797 1.00 12.70 H new ATOM 0 HG3 LYS C 79 20.302 17.186 33.424 1.00 12.70 H new ATOM 0 HD2 LYS C 79 20.674 16.410 35.616 1.00 10.95 H new ATOM 0 HD3 LYS C 79 21.349 17.763 35.999 1.00 10.95 H new ATOM 0 HE2 LYS C 79 19.270 18.879 35.549 1.00 7.31 H new ATOM 0 HE3 LYS C 79 18.611 17.489 35.288 1.00 7.31 H new ATOM 0 HZ1 LYS C 79 18.103 17.876 37.372 1.00 9.28 H new ATOM 0 HZ2 LYS C 79 19.272 17.033 37.553 1.00 9.28 H new ATOM 0 HZ3 LYS C 79 19.386 18.474 37.701 1.00 9.28 H new ATOM 2268 N MET C 80 21.675 16.071 30.828 1.00 16.07 N ATOM 2269 CA MET C 80 20.704 15.539 29.887 1.00 19.00 C ATOM 2270 C MET C 80 19.622 14.978 30.798 1.00 18.28 C ATOM 2271 O MET C 80 19.925 14.281 31.768 1.00 18.27 O ATOM 2272 CB MET C 80 21.338 14.431 29.043 1.00 20.88 C ATOM 2273 CG MET C 80 20.484 13.908 27.895 1.00 27.44 C ATOM 2274 SD MET C 80 19.458 12.477 28.313 1.00 34.30 S ATOM 2275 CE MET C 80 18.039 12.775 27.259 1.00 32.98 C ATOM 0 H MET C 80 22.212 15.483 31.153 1.00 16.07 H new ATOM 0 HA MET C 80 20.368 16.197 29.258 1.00 19.00 H new ATOM 0 HB2 MET C 80 22.174 14.762 28.678 1.00 20.88 H new ATOM 0 HB3 MET C 80 21.558 13.688 29.626 1.00 20.88 H new ATOM 0 HG2 MET C 80 19.909 14.624 27.583 1.00 27.44 H new ATOM 0 HG3 MET C 80 21.066 13.670 27.157 1.00 27.44 H new ATOM 0 HE1 MET C 80 17.262 12.327 27.628 1.00 32.98 H new ATOM 0 HE2 MET C 80 17.868 13.728 27.208 1.00 32.98 H new ATOM 0 HE3 MET C 80 18.218 12.431 26.370 1.00 32.98 H new ATOM 2276 N ILE C 81 18.373 15.305 30.498 1.00 17.75 N ATOM 2277 CA ILE C 81 17.231 14.865 31.290 1.00 18.13 C ATOM 2278 C ILE C 81 16.373 13.900 30.482 1.00 17.33 C ATOM 2279 O ILE C 81 15.833 14.287 29.449 1.00 16.86 O ATOM 2280 CB ILE C 81 16.370 16.084 31.691 1.00 20.52 C ATOM 2281 CG1 ILE C 81 17.163 16.978 32.651 1.00 23.58 C ATOM 2282 CG2 ILE C 81 15.063 15.631 32.307 1.00 21.20 C ATOM 2283 CD1 ILE C 81 16.666 18.421 32.717 1.00 25.26 C ATOM 0 H ILE C 81 18.161 15.793 29.823 1.00 17.75 H new ATOM 0 HA ILE C 81 17.560 14.418 32.086 1.00 18.13 H new ATOM 0 HB ILE C 81 16.154 16.601 30.899 1.00 20.52 H new ATOM 0 HG12 ILE C 81 17.126 16.593 33.540 1.00 23.58 H new ATOM 0 HG13 ILE C 81 18.095 16.979 32.381 1.00 23.58 H new ATOM 0 HG21 ILE C 81 14.535 16.407 32.553 1.00 21.20 H new ATOM 0 HG22 ILE C 81 14.571 15.096 31.665 1.00 21.20 H new ATOM 0 HG23 ILE C 81 15.245 15.100 33.098 1.00 21.20 H new ATOM 0 HD11 ILE C 81 17.213 18.924 33.341 1.00 25.26 H new ATOM 0 HD12 ILE C 81 16.726 18.825 31.837 1.00 25.26 H new ATOM 0 HD13 ILE C 81 15.743 18.432 33.015 1.00 25.26 H new ATOM 2284 N PHE C 82 16.248 12.655 30.948 1.00 15.15 N ATOM 2285 CA PHE C 82 15.438 11.657 30.246 1.00 14.61 C ATOM 2286 C PHE C 82 14.030 12.189 30.042 1.00 15.54 C ATOM 2287 O PHE C 82 13.264 12.337 30.997 1.00 16.60 O ATOM 2288 CB PHE C 82 15.380 10.350 31.034 1.00 14.00 C ATOM 2289 CG PHE C 82 16.727 9.753 31.305 1.00 14.09 C ATOM 2290 CD1 PHE C 82 17.574 9.414 30.252 1.00 13.74 C ATOM 2291 CD2 PHE C 82 17.165 9.558 32.614 1.00 13.30 C ATOM 2292 CE1 PHE C 82 18.843 8.891 30.498 1.00 14.53 C ATOM 2293 CE2 PHE C 82 18.430 9.039 32.876 1.00 14.19 C ATOM 2294 CZ PHE C 82 19.274 8.703 31.816 1.00 15.25 C ATOM 0 H PHE C 82 16.623 12.369 31.667 1.00 15.15 H new ATOM 0 HA PHE C 82 15.850 11.481 29.385 1.00 14.61 H new ATOM 0 HB2 PHE C 82 14.930 10.510 31.878 1.00 14.00 H new ATOM 0 HB3 PHE C 82 14.843 9.709 30.543 1.00 14.00 H new ATOM 0 HD1 PHE C 82 17.290 9.538 29.375 1.00 13.74 H new ATOM 0 HD2 PHE C 82 16.604 9.778 33.322 1.00 13.30 H new ATOM 0 HE1 PHE C 82 19.401 8.668 29.788 1.00 14.53 H new ATOM 0 HE2 PHE C 82 18.712 8.917 33.754 1.00 14.19 H new ATOM 0 HZ PHE C 82 20.120 8.355 31.985 1.00 15.25 H new ATOM 2295 N ALA C 83 13.699 12.473 28.785 1.00 15.60 N ATOM 2296 CA ALA C 83 12.400 13.020 28.422 1.00 15.95 C ATOM 2297 C ALA C 83 11.253 12.146 28.888 1.00 15.15 C ATOM 2298 O ALA C 83 11.306 10.927 28.765 1.00 17.92 O ATOM 2299 CB ALA C 83 12.329 13.213 26.914 1.00 16.69 C ATOM 0 H ALA C 83 14.227 12.352 28.117 1.00 15.60 H new ATOM 0 HA ALA C 83 12.308 13.875 28.871 1.00 15.95 H new ATOM 0 HB1 ALA C 83 11.463 13.578 26.675 1.00 16.69 H new ATOM 0 HB2 ALA C 83 13.026 13.826 26.633 1.00 16.69 H new ATOM 0 HB3 ALA C 83 12.453 12.359 26.472 1.00 16.69 H new ATOM 2300 N GLY C 84 10.212 12.779 29.412 1.00 13.95 N ATOM 2301 CA GLY C 84 9.057 12.035 29.884 1.00 15.33 C ATOM 2302 C GLY C 84 8.042 11.711 28.799 1.00 14.90 C ATOM 2303 O GLY C 84 8.090 12.263 27.704 1.00 13.29 O ATOM 0 H GLY C 84 10.155 13.632 29.502 1.00 13.95 H new ATOM 0 HA2 GLY C 84 9.361 11.207 30.287 1.00 15.33 H new ATOM 0 HA3 GLY C 84 8.618 12.546 30.582 1.00 15.33 H new ATOM 2304 N ILE C 85 7.128 10.795 29.108 1.00 16.20 N ATOM 2305 CA ILE C 85 6.075 10.385 28.181 1.00 16.26 C ATOM 2306 C ILE C 85 4.744 10.681 28.862 1.00 15.08 C ATOM 2307 O ILE C 85 4.254 9.879 29.661 1.00 14.31 O ATOM 2308 CB ILE C 85 6.167 8.869 27.857 1.00 18.69 C ATOM 2309 CG1 ILE C 85 7.443 8.588 27.055 1.00 19.08 C ATOM 2310 CG2 ILE C 85 4.926 8.416 27.097 1.00 19.22 C ATOM 2311 CD1 ILE C 85 7.615 7.136 26.643 1.00 18.32 C ATOM 0 H ILE C 85 7.101 10.391 29.867 1.00 16.20 H new ATOM 0 HA ILE C 85 6.165 10.866 27.344 1.00 16.26 H new ATOM 0 HB ILE C 85 6.209 8.365 28.684 1.00 18.69 H new ATOM 0 HG12 ILE C 85 7.440 9.141 26.258 1.00 19.08 H new ATOM 0 HG13 ILE C 85 8.211 8.856 27.584 1.00 19.08 H new ATOM 0 HG21 ILE C 85 4.995 7.469 26.900 1.00 19.22 H new ATOM 0 HG22 ILE C 85 4.138 8.577 27.639 1.00 19.22 H new ATOM 0 HG23 ILE C 85 4.855 8.914 26.267 1.00 19.22 H new ATOM 0 HD11 ILE C 85 8.440 7.037 26.142 1.00 18.32 H new ATOM 0 HD12 ILE C 85 7.649 6.577 27.435 1.00 18.32 H new ATOM 0 HD13 ILE C 85 6.866 6.866 26.089 1.00 18.32 H new ATOM 2312 N LYS C 86 4.166 11.837 28.535 1.00 13.51 N ATOM 2313 CA LYS C 86 2.914 12.284 29.136 1.00 12.32 C ATOM 2314 C LYS C 86 1.673 11.454 28.824 1.00 12.19 C ATOM 2315 O LYS C 86 0.919 11.107 29.731 1.00 14.04 O ATOM 2316 CB LYS C 86 2.652 13.744 28.758 0.50 11.72 C ATOM 2317 CG LYS C 86 3.725 14.709 29.230 0.50 12.12 C ATOM 2318 CD LYS C 86 3.906 14.649 30.738 0.50 12.97 C ATOM 2319 CE LYS C 86 4.920 15.680 31.211 0.50 14.91 C ATOM 2320 NZ LYS C 86 5.102 15.657 32.690 0.50 14.82 N ATOM 0 H LYS C 86 4.492 12.384 27.957 1.00 13.51 H new ATOM 0 HA LYS C 86 3.054 12.170 30.089 1.00 12.32 H new ATOM 0 HB2 LYS C 86 2.574 13.809 27.793 0.50 11.72 H new ATOM 0 HB3 LYS C 86 1.799 14.016 29.131 0.50 11.72 H new ATOM 0 HG2 LYS C 86 4.565 14.498 28.794 0.50 12.12 H new ATOM 0 HG3 LYS C 86 3.487 15.612 28.967 0.50 12.12 H new ATOM 0 HD2 LYS C 86 3.054 14.805 31.175 0.50 12.97 H new ATOM 0 HD3 LYS C 86 4.199 13.761 30.996 0.50 12.97 H new ATOM 0 HE2 LYS C 86 5.773 15.513 30.780 0.50 14.91 H new ATOM 0 HE3 LYS C 86 4.631 16.564 30.936 0.50 14.91 H new ATOM 0 HZ1 LYS C 86 5.701 16.272 32.925 0.50 14.82 H new ATOM 0 HZ2 LYS C 86 4.325 15.832 33.088 0.50 14.82 H new ATOM 0 HZ3 LYS C 86 5.389 14.853 32.942 0.50 14.82 H new ATOM 2321 N LYS C 87 1.456 11.136 27.551 1.00 12.20 N ATOM 2322 CA LYS C 87 0.279 10.365 27.169 1.00 12.26 C ATOM 2323 C LYS C 87 0.211 9.019 27.876 1.00 15.52 C ATOM 2324 O LYS C 87 1.128 8.198 27.772 1.00 17.00 O ATOM 2325 CB LYS C 87 0.235 10.163 25.653 0.50 10.22 C ATOM 2326 CG LYS C 87 -0.148 11.411 24.875 0.50 8.15 C ATOM 2327 CD LYS C 87 -0.195 11.153 23.365 0.50 6.31 C ATOM 2328 CE LYS C 87 -1.297 10.184 22.975 0.50 5.33 C ATOM 2329 NZ LYS C 87 -2.656 10.741 23.210 0.50 2.65 N ATOM 0 H LYS C 87 1.973 11.355 26.899 1.00 12.20 H new ATOM 0 HA LYS C 87 -0.495 10.879 27.448 1.00 12.26 H new ATOM 0 HB2 LYS C 87 1.105 9.859 25.351 0.50 10.22 H new ATOM 0 HB3 LYS C 87 -0.399 9.458 25.448 0.50 10.22 H new ATOM 0 HG2 LYS C 87 -1.015 11.726 25.176 0.50 8.15 H new ATOM 0 HG3 LYS C 87 0.491 12.117 25.062 0.50 8.15 H new ATOM 0 HD2 LYS C 87 -0.328 11.994 22.900 0.50 6.31 H new ATOM 0 HD3 LYS C 87 0.660 10.800 23.073 0.50 6.31 H new ATOM 0 HE2 LYS C 87 -1.203 9.953 22.038 0.50 5.33 H new ATOM 0 HE3 LYS C 87 -1.195 9.363 23.481 0.50 5.33 H new ATOM 0 HZ1 LYS C 87 -3.267 10.179 22.889 0.50 2.65 H new ATOM 0 HZ2 LYS C 87 -2.785 10.851 24.084 0.50 2.65 H new ATOM 0 HZ3 LYS C 87 -2.730 11.526 22.798 0.50 2.65 H new ATOM 2330 N LYS C 88 -0.884 8.802 28.598 1.00 15.77 N ATOM 2331 CA LYS C 88 -1.082 7.558 29.330 1.00 16.93 C ATOM 2332 C LYS C 88 -1.111 6.346 28.390 1.00 17.31 C ATOM 2333 O LYS C 88 -0.450 5.343 28.645 1.00 17.41 O ATOM 2334 CB LYS C 88 -2.384 7.638 30.131 1.00 17.17 C ATOM 2335 CG LYS C 88 -2.685 6.421 30.995 1.00 20.36 C ATOM 2336 CD LYS C 88 -3.927 6.677 31.837 1.00 22.84 C ATOM 2337 CE LYS C 88 -4.266 5.506 32.741 1.00 24.77 C ATOM 2338 NZ LYS C 88 -5.374 5.873 33.671 1.00 25.12 N ATOM 0 H LYS C 88 -1.528 9.367 28.677 1.00 15.77 H new ATOM 0 HA LYS C 88 -0.333 7.439 29.935 1.00 16.93 H new ATOM 0 HB2 LYS C 88 -2.349 8.422 30.701 1.00 17.17 H new ATOM 0 HB3 LYS C 88 -3.120 7.769 29.513 1.00 17.17 H new ATOM 0 HG2 LYS C 88 -2.820 5.642 30.434 1.00 20.36 H new ATOM 0 HG3 LYS C 88 -1.928 6.228 31.571 1.00 20.36 H new ATOM 0 HD2 LYS C 88 -3.790 7.470 32.378 1.00 22.84 H new ATOM 0 HD3 LYS C 88 -4.679 6.859 31.252 1.00 22.84 H new ATOM 0 HE2 LYS C 88 -4.526 4.740 32.205 1.00 24.77 H new ATOM 0 HE3 LYS C 88 -3.482 5.244 33.249 1.00 24.77 H new ATOM 0 HZ1 LYS C 88 -5.564 5.179 34.195 1.00 25.12 H new ATOM 0 HZ2 LYS C 88 -5.124 6.564 34.173 1.00 25.12 H new ATOM 0 HZ3 LYS C 88 -6.096 6.095 33.200 1.00 25.12 H new ATOM 2339 N THR C 89 -1.875 6.445 27.304 1.00 17.80 N ATOM 2340 CA THR C 89 -1.986 5.352 26.343 1.00 16.69 C ATOM 2341 C THR C 89 -0.620 4.977 25.777 1.00 16.12 C ATOM 2342 O THR C 89 -0.324 3.799 25.583 1.00 15.60 O ATOM 2343 CB THR C 89 -2.950 5.717 25.184 1.00 19.87 C ATOM 2344 OG1 THR C 89 -2.509 6.920 24.536 1.00 18.38 O ATOM 2345 CG2 THR C 89 -4.358 5.935 25.722 1.00 19.69 C ATOM 0 H THR C 89 -2.339 7.141 27.105 1.00 17.80 H new ATOM 0 HA THR C 89 -2.348 4.588 26.819 1.00 16.69 H new ATOM 0 HB THR C 89 -2.954 4.985 24.547 1.00 19.87 H new ATOM 0 HG1 THR C 89 -2.779 7.587 24.970 1.00 18.38 H new ATOM 0 HG21 THR C 89 -4.953 6.163 24.990 1.00 19.69 H new ATOM 0 HG22 THR C 89 -4.670 5.123 26.151 1.00 19.69 H new ATOM 0 HG23 THR C 89 -4.349 6.659 26.368 1.00 19.69 H new ATOM 2346 N GLU C 90 0.216 5.977 25.518 1.00 15.54 N ATOM 2347 CA GLU C 90 1.555 5.720 25.000 1.00 15.69 C ATOM 2348 C GLU C 90 2.383 4.977 26.055 1.00 16.51 C ATOM 2349 O GLU C 90 3.116 4.038 25.732 1.00 15.70 O ATOM 2350 CB GLU C 90 2.234 7.038 24.602 1.00 14.11 C ATOM 2351 CG GLU C 90 2.016 7.413 23.133 1.00 16.81 C ATOM 2352 CD GLU C 90 2.518 8.809 22.767 1.00 16.90 C ATOM 2353 OE1 GLU C 90 3.538 9.256 23.333 1.00 17.15 O ATOM 2354 OE2 GLU C 90 1.898 9.450 21.891 1.00 14.27 O ATOM 0 H GLU C 90 0.029 6.808 25.635 1.00 15.54 H new ATOM 0 HA GLU C 90 1.490 5.164 24.208 1.00 15.69 H new ATOM 0 HB2 GLU C 90 1.896 7.752 25.165 1.00 14.11 H new ATOM 0 HB3 GLU C 90 3.186 6.969 24.774 1.00 14.11 H new ATOM 0 HG2 GLU C 90 2.464 6.761 22.572 1.00 16.81 H new ATOM 0 HG3 GLU C 90 1.069 7.357 22.932 1.00 16.81 H new ATOM 2355 N ARG C 91 2.261 5.389 27.315 1.00 16.83 N ATOM 2356 CA ARG C 91 2.995 4.730 28.394 1.00 17.90 C ATOM 2357 C ARG C 91 2.523 3.293 28.553 1.00 17.07 C ATOM 2358 O ARG C 91 3.318 2.398 28.830 1.00 16.86 O ATOM 2359 CB ARG C 91 2.814 5.480 29.716 1.00 17.73 C ATOM 2360 CG ARG C 91 3.930 6.475 30.024 1.00 20.76 C ATOM 2361 CD ARG C 91 3.646 7.237 31.309 1.00 22.06 C ATOM 2362 NE ARG C 91 2.533 8.166 31.139 1.00 26.14 N ATOM 2363 CZ ARG C 91 1.594 8.384 32.053 1.00 27.02 C ATOM 2364 NH1 ARG C 91 1.625 7.736 33.211 1.00 29.17 N ATOM 2365 NH2 ARG C 91 0.627 9.257 31.810 1.00 27.74 N ATOM 0 H ARG C 91 1.762 6.043 27.565 1.00 16.83 H new ATOM 0 HA ARG C 91 3.937 4.734 28.161 1.00 17.90 H new ATOM 0 HB2 ARG C 91 1.968 5.954 29.695 1.00 17.73 H new ATOM 0 HB3 ARG C 91 2.760 4.835 30.438 1.00 17.73 H new ATOM 0 HG2 ARG C 91 4.774 6.004 30.104 1.00 20.76 H new ATOM 0 HG3 ARG C 91 4.022 7.100 29.288 1.00 20.76 H new ATOM 0 HD2 ARG C 91 3.441 6.610 32.021 1.00 22.06 H new ATOM 0 HD3 ARG C 91 4.439 7.725 31.580 1.00 22.06 H new ATOM 0 HE ARG C 91 2.482 8.601 30.399 1.00 26.14 H new ATOM 0 HH11 ARG C 91 2.255 7.173 33.372 1.00 29.17 H new ATOM 0 HH12 ARG C 91 1.016 7.880 33.801 1.00 29.17 H new ATOM 0 HH21 ARG C 91 0.608 9.681 31.062 1.00 27.74 H new ATOM 0 HH22 ARG C 91 0.018 9.400 32.400 1.00 27.74 H new ATOM 2366 N GLU C 92 1.226 3.075 28.366 1.00 18.02 N ATOM 2367 CA GLU C 92 0.653 1.733 28.481 1.00 19.66 C ATOM 2368 C GLU C 92 1.174 0.810 27.380 1.00 17.72 C ATOM 2369 O GLU C 92 1.579 -0.321 27.646 1.00 17.91 O ATOM 2370 CB GLU C 92 -0.871 1.806 28.401 1.00 21.27 C ATOM 2371 CG GLU C 92 -1.492 2.737 29.429 1.00 24.24 C ATOM 2372 CD GLU C 92 -2.960 2.995 29.162 1.00 25.31 C ATOM 2373 OE1 GLU C 92 -3.308 3.271 27.994 1.00 28.30 O ATOM 2374 OE2 GLU C 92 -3.759 2.932 30.117 1.00 25.30 O ATOM 0 H GLU C 92 0.657 3.690 28.171 1.00 18.02 H new ATOM 0 HA GLU C 92 0.920 1.369 29.340 1.00 19.66 H new ATOM 0 HB2 GLU C 92 -1.127 2.101 27.513 1.00 21.27 H new ATOM 0 HB3 GLU C 92 -1.236 0.915 28.520 1.00 21.27 H new ATOM 0 HG2 GLU C 92 -1.389 2.352 30.314 1.00 24.24 H new ATOM 0 HG3 GLU C 92 -1.013 3.580 29.429 1.00 24.24 H new ATOM 2375 N ASP C 93 1.163 1.295 26.144 1.00 16.86 N ATOM 2376 CA ASP C 93 1.635 0.500 25.015 1.00 14.77 C ATOM 2377 C ASP C 93 3.126 0.202 25.138 1.00 14.66 C ATOM 2378 O ASP C 93 3.574 -0.904 24.829 1.00 14.21 O ATOM 2379 CB ASP C 93 1.353 1.228 23.704 1.00 15.38 C ATOM 2380 CG ASP C 93 -0.108 1.578 23.540 1.00 16.65 C ATOM 2381 OD1 ASP C 93 -0.956 0.886 24.151 1.00 17.09 O ATOM 2382 OD2 ASP C 93 -0.411 2.533 22.794 1.00 16.54 O ATOM 0 H ASP C 93 0.886 2.082 25.937 1.00 16.86 H new ATOM 0 HA ASP C 93 1.156 -0.344 25.020 1.00 14.77 H new ATOM 0 HB2 ASP C 93 1.883 2.039 23.667 1.00 15.38 H new ATOM 0 HB3 ASP C 93 1.635 0.671 22.961 1.00 15.38 H new ATOM 2383 N LEU C 94 3.891 1.191 25.599 1.00 13.66 N ATOM 2384 CA LEU C 94 5.329 1.017 25.772 1.00 11.17 C ATOM 2385 C LEU C 94 5.584 -0.039 26.840 1.00 9.87 C ATOM 2386 O LEU C 94 6.485 -0.869 26.709 1.00 9.58 O ATOM 2387 CB LEU C 94 5.985 2.335 26.189 1.00 9.01 C ATOM 2388 CG LEU C 94 7.489 2.275 26.501 1.00 10.30 C ATOM 2389 CD1 LEU C 94 8.254 1.715 25.294 1.00 8.57 C ATOM 2390 CD2 LEU C 94 7.996 3.669 26.854 1.00 5.58 C ATOM 0 H LEU C 94 3.596 1.969 25.817 1.00 13.66 H new ATOM 0 HA LEU C 94 5.714 0.733 24.928 1.00 11.17 H new ATOM 0 HB2 LEU C 94 5.846 2.982 25.480 1.00 9.01 H new ATOM 0 HB3 LEU C 94 5.524 2.670 26.974 1.00 9.01 H new ATOM 0 HG LEU C 94 7.636 1.687 27.258 1.00 10.30 H new ATOM 0 HD11 LEU C 94 9.201 1.680 25.499 1.00 8.57 H new ATOM 0 HD12 LEU C 94 7.934 0.821 25.094 1.00 8.57 H new ATOM 0 HD13 LEU C 94 8.111 2.289 24.525 1.00 8.57 H new ATOM 0 HD21 LEU C 94 8.945 3.628 27.050 1.00 5.58 H new ATOM 0 HD22 LEU C 94 7.847 4.267 26.105 1.00 5.58 H new ATOM 0 HD23 LEU C 94 7.519 4.000 27.631 1.00 5.58 H new ATOM 2391 N ILE C 95 4.782 -0.005 27.897 1.00 8.97 N ATOM 2392 CA ILE C 95 4.932 -0.966 28.978 1.00 10.83 C ATOM 2393 C ILE C 95 4.495 -2.347 28.505 1.00 10.29 C ATOM 2394 O ILE C 95 5.062 -3.356 28.924 1.00 10.18 O ATOM 2395 CB ILE C 95 4.120 -0.533 30.238 1.00 11.78 C ATOM 2396 CG1 ILE C 95 4.896 0.549 30.994 1.00 14.37 C ATOM 2397 CG2 ILE C 95 3.855 -1.728 31.151 1.00 13.00 C ATOM 2398 CD1 ILE C 95 4.164 1.135 32.202 1.00 16.23 C ATOM 0 H ILE C 95 4.147 0.565 28.007 1.00 8.97 H new ATOM 0 HA ILE C 95 5.868 -0.999 29.231 1.00 10.83 H new ATOM 0 HB ILE C 95 3.263 -0.178 29.953 1.00 11.78 H new ATOM 0 HG12 ILE C 95 5.740 0.175 31.293 1.00 14.37 H new ATOM 0 HG13 ILE C 95 5.106 1.269 30.378 1.00 14.37 H new ATOM 0 HG21 ILE C 95 3.350 -1.437 31.927 1.00 13.00 H new ATOM 0 HG22 ILE C 95 3.347 -2.398 30.668 1.00 13.00 H new ATOM 0 HG23 ILE C 95 4.699 -2.109 31.440 1.00 13.00 H new ATOM 0 HD11 ILE C 95 4.721 1.809 32.622 1.00 16.23 H new ATOM 0 HD12 ILE C 95 3.331 1.539 31.911 1.00 16.23 H new ATOM 0 HD13 ILE C 95 3.975 0.429 32.840 1.00 16.23 H new ATOM 2399 N ALA C 96 3.499 -2.389 27.623 1.00 10.42 N ATOM 2400 CA ALA C 96 3.020 -3.659 27.099 1.00 8.48 C ATOM 2401 C ALA C 96 4.149 -4.286 26.302 1.00 8.92 C ATOM 2402 O ALA C 96 4.461 -5.464 26.477 1.00 7.79 O ATOM 2403 CB ALA C 96 1.812 -3.450 26.217 1.00 8.78 C ATOM 0 H ALA C 96 3.091 -1.696 27.318 1.00 10.42 H new ATOM 0 HA ALA C 96 2.754 -4.241 27.828 1.00 8.48 H new ATOM 0 HB1 ALA C 96 1.507 -4.306 25.877 1.00 8.78 H new ATOM 0 HB2 ALA C 96 1.102 -3.036 26.733 1.00 8.78 H new ATOM 0 HB3 ALA C 96 2.050 -2.874 25.474 1.00 8.78 H new ATOM 2404 N TYR C 97 4.771 -3.496 25.430 1.00 8.64 N ATOM 2405 CA TYR C 97 5.877 -4.014 24.631 1.00 7.60 C ATOM 2406 C TYR C 97 7.009 -4.478 25.544 1.00 8.49 C ATOM 2407 O TYR C 97 7.571 -5.559 25.343 1.00 8.35 O ATOM 2408 CB TYR C 97 6.413 -2.951 23.662 1.00 7.90 C ATOM 2409 CG TYR C 97 7.687 -3.384 22.954 1.00 8.51 C ATOM 2410 CD1 TYR C 97 7.677 -4.431 22.028 1.00 8.38 C ATOM 2411 CD2 TYR C 97 8.912 -2.805 23.274 1.00 8.00 C ATOM 2412 CE1 TYR C 97 8.857 -4.897 21.452 1.00 6.89 C ATOM 2413 CE2 TYR C 97 10.100 -3.258 22.700 1.00 8.46 C ATOM 2414 CZ TYR C 97 10.067 -4.307 21.796 1.00 9.17 C ATOM 2415 OH TYR C 97 11.246 -4.783 21.267 1.00 6.47 O ATOM 0 H TYR C 97 4.572 -2.671 25.288 1.00 8.64 H new ATOM 0 HA TYR C 97 5.542 -4.763 24.113 1.00 7.60 H new ATOM 0 HB2 TYR C 97 5.733 -2.751 23.000 1.00 7.90 H new ATOM 0 HB3 TYR C 97 6.583 -2.131 24.151 1.00 7.90 H new ATOM 0 HD1 TYR C 97 6.868 -4.824 21.792 1.00 8.38 H new ATOM 0 HD2 TYR C 97 8.939 -2.102 23.883 1.00 8.00 H new ATOM 0 HE1 TYR C 97 8.835 -5.598 20.841 1.00 6.89 H new ATOM 0 HE2 TYR C 97 10.909 -2.858 22.923 1.00 8.46 H new ATOM 0 HH TYR C 97 11.139 -5.577 21.014 1.00 6.47 H new ATOM 2416 N LEU C 98 7.340 -3.663 26.546 1.00 7.29 N ATOM 2417 CA LEU C 98 8.418 -4.004 27.461 1.00 7.32 C ATOM 2418 C LEU C 98 8.122 -5.282 28.235 1.00 8.33 C ATOM 2419 O LEU C 98 9.010 -6.104 28.450 1.00 7.47 O ATOM 2420 CB LEU C 98 8.676 -2.868 28.457 1.00 6.83 C ATOM 2421 CG LEU C 98 9.317 -1.565 27.961 1.00 7.26 C ATOM 2422 CD1 LEU C 98 9.349 -0.592 29.129 1.00 5.17 C ATOM 2423 CD2 LEU C 98 10.743 -1.807 27.415 1.00 2.15 C ATOM 0 H LEU C 98 6.953 -2.913 26.709 1.00 7.29 H new ATOM 0 HA LEU C 98 9.208 -4.145 26.916 1.00 7.32 H new ATOM 0 HB2 LEU C 98 7.826 -2.638 28.864 1.00 6.83 H new ATOM 0 HB3 LEU C 98 9.241 -3.221 29.162 1.00 6.83 H new ATOM 0 HG LEU C 98 8.795 -1.202 27.228 1.00 7.26 H new ATOM 0 HD11 LEU C 98 9.751 0.244 28.843 1.00 5.17 H new ATOM 0 HD12 LEU C 98 8.444 -0.427 29.438 1.00 5.17 H new ATOM 0 HD13 LEU C 98 9.872 -0.971 29.852 1.00 5.17 H new ATOM 0 HD21 LEU C 98 11.120 -0.967 27.110 1.00 2.15 H new ATOM 0 HD22 LEU C 98 11.301 -2.175 28.118 1.00 2.15 H new ATOM 0 HD23 LEU C 98 10.704 -2.431 26.674 1.00 2.15 H new ATOM 2424 N LYS C 99 6.874 -5.442 28.660 1.00 8.65 N ATOM 2425 CA LYS C 99 6.489 -6.624 29.418 1.00 8.26 C ATOM 2426 C LYS C 99 6.680 -7.884 28.581 1.00 8.11 C ATOM 2427 O LYS C 99 6.981 -8.953 29.114 1.00 6.47 O ATOM 2428 CB LYS C 99 5.032 -6.519 29.880 1.00 7.78 C ATOM 2429 CG LYS C 99 4.630 -7.619 30.848 1.00 7.06 C ATOM 2430 CD LYS C 99 3.150 -7.556 31.167 1.00 12.77 C ATOM 2431 CE LYS C 99 2.756 -8.652 32.151 1.00 14.27 C ATOM 2432 NZ LYS C 99 3.345 -8.419 33.502 1.00 12.55 N ATOM 0 H LYS C 99 6.238 -4.880 28.521 1.00 8.65 H new ATOM 0 HA LYS C 99 7.060 -6.679 30.200 1.00 8.26 H new ATOM 0 HB2 LYS C 99 4.895 -5.657 30.304 1.00 7.78 H new ATOM 0 HB3 LYS C 99 4.450 -6.550 29.105 1.00 7.78 H new ATOM 0 HG2 LYS C 99 4.844 -8.484 30.465 1.00 7.06 H new ATOM 0 HG3 LYS C 99 5.144 -7.536 31.667 1.00 7.06 H new ATOM 0 HD2 LYS C 99 2.933 -6.688 31.541 1.00 12.77 H new ATOM 0 HD3 LYS C 99 2.635 -7.650 30.350 1.00 12.77 H new ATOM 0 HE2 LYS C 99 1.789 -8.692 32.222 1.00 14.27 H new ATOM 0 HE3 LYS C 99 3.051 -9.512 31.813 1.00 14.27 H new ATOM 0 HZ1 LYS C 99 3.051 -9.041 34.066 1.00 12.55 H new ATOM 0 HZ2 LYS C 99 4.232 -8.462 33.451 1.00 12.55 H new ATOM 0 HZ3 LYS C 99 3.104 -7.615 33.797 1.00 12.55 H new ATOM 2433 N LYS C 100 6.508 -7.749 27.268 1.00 9.91 N ATOM 2434 CA LYS C 100 6.679 -8.875 26.358 1.00 10.17 C ATOM 2435 C LYS C 100 8.137 -9.105 25.981 1.00 9.54 C ATOM 2436 O LYS C 100 8.659 -10.210 26.140 1.00 8.33 O ATOM 2437 CB LYS C 100 5.875 -8.667 25.069 1.00 10.87 C ATOM 2438 CG LYS C 100 6.137 -9.757 24.013 1.00 12.66 C ATOM 2439 CD LYS C 100 5.339 -9.521 22.732 1.00 12.67 C ATOM 2440 CE LYS C 100 5.561 -10.629 21.708 1.00 12.48 C ATOM 2441 NZ LYS C 100 6.909 -10.617 21.069 1.00 9.20 N ATOM 0 H LYS C 100 6.291 -7.010 26.884 1.00 9.91 H new ATOM 0 HA LYS C 100 6.354 -9.654 26.836 1.00 10.17 H new ATOM 0 HB2 LYS C 100 4.929 -8.652 25.283 1.00 10.87 H new ATOM 0 HB3 LYS C 100 6.095 -7.800 24.693 1.00 10.87 H new ATOM 0 HG2 LYS C 100 7.084 -9.781 23.803 1.00 12.66 H new ATOM 0 HG3 LYS C 100 5.906 -10.624 24.381 1.00 12.66 H new ATOM 0 HD2 LYS C 100 4.395 -9.464 22.946 1.00 12.67 H new ATOM 0 HD3 LYS C 100 5.594 -8.669 22.345 1.00 12.67 H new ATOM 0 HE2 LYS C 100 5.428 -11.486 22.142 1.00 12.48 H new ATOM 0 HE3 LYS C 100 4.886 -10.554 21.015 1.00 12.48 H new ATOM 0 HZ1 LYS C 100 6.845 -10.919 20.234 1.00 9.20 H new ATOM 0 HZ2 LYS C 100 7.226 -9.785 21.060 1.00 9.20 H new ATOM 0 HZ3 LYS C 100 7.462 -11.139 21.531 1.00 9.20 H new ATOM 2442 N ALA C 101 8.783 -8.051 25.486 1.00 8.90 N ATOM 2443 CA ALA C 101 10.172 -8.116 25.026 1.00 8.75 C ATOM 2444 C ALA C 101 11.229 -8.466 26.063 1.00 7.82 C ATOM 2445 O ALA C 101 12.155 -9.219 25.768 1.00 5.83 O ATOM 2446 CB ALA C 101 10.546 -6.803 24.339 1.00 10.65 C ATOM 0 H ALA C 101 8.426 -7.272 25.407 1.00 8.90 H new ATOM 0 HA ALA C 101 10.182 -8.869 24.415 1.00 8.75 H new ATOM 0 HB1 ALA C 101 11.466 -6.847 24.035 1.00 10.65 H new ATOM 0 HB2 ALA C 101 9.961 -6.657 23.579 1.00 10.65 H new ATOM 0 HB3 ALA C 101 10.448 -6.070 24.967 1.00 10.65 H new ATOM 2447 N THR C 102 11.097 -7.923 27.269 1.00 7.88 N ATOM 2448 CA THR C 102 12.068 -8.181 28.324 1.00 8.45 C ATOM 2449 C THR C 102 11.869 -9.536 29.009 1.00 11.57 C ATOM 2450 O THR C 102 12.629 -9.893 29.914 1.00 11.00 O ATOM 2451 CB THR C 102 12.027 -7.073 29.412 1.00 7.84 C ATOM 2452 OG1 THR C 102 10.725 -7.023 30.008 1.00 4.77 O ATOM 2453 CG2 THR C 102 12.343 -5.720 28.800 1.00 6.82 C ATOM 0 H THR C 102 10.451 -7.402 27.496 1.00 7.88 H new ATOM 0 HA THR C 102 12.930 -8.187 27.880 1.00 8.45 H new ATOM 0 HB THR C 102 12.690 -7.282 30.088 1.00 7.84 H new ATOM 0 HG1 THR C 102 10.229 -6.519 29.555 1.00 4.77 H new ATOM 0 HG21 THR C 102 12.314 -5.038 29.489 1.00 6.82 H new ATOM 0 HG22 THR C 102 13.229 -5.742 28.405 1.00 6.82 H new ATOM 0 HG23 THR C 102 11.689 -5.514 28.114 1.00 6.82 H new ATOM 2454 N ASN C 103 10.861 -10.292 28.584 1.00 11.90 N ATOM 2455 CA ASN C 103 10.609 -11.591 29.204 1.00 15.75 C ATOM 2456 C ASN C 103 10.785 -12.762 28.246 1.00 16.19 C ATOM 2457 O ASN C 103 10.818 -13.912 28.667 1.00 18.42 O ATOM 2458 CB ASN C 103 9.202 -11.619 29.806 1.00 18.77 C ATOM 2459 CG ASN C 103 8.908 -12.910 30.551 1.00 23.30 C ATOM 2460 OD1 ASN C 103 8.677 -13.960 29.945 1.00 26.26 O ATOM 2461 ND2 ASN C 103 8.923 -12.838 31.874 1.00 25.74 N ATOM 0 H ASN C 103 10.320 -10.078 27.951 1.00 11.90 H new ATOM 0 HA ASN C 103 11.275 -11.699 29.901 1.00 15.75 H new ATOM 0 HB2 ASN C 103 9.099 -10.869 30.413 1.00 18.77 H new ATOM 0 HB3 ASN C 103 8.549 -11.503 29.098 1.00 18.77 H new ATOM 0 HD21 ASN C 103 8.768 -13.541 32.345 1.00 25.74 H new ATOM 0 HD22 ASN C 103 9.088 -12.088 32.262 1.00 25.74 H new ATOM 2462 N GLU C 104 10.905 -12.469 26.958 1.00 17.66 N ATOM 2463 CA GLU C 104 11.071 -13.514 25.950 1.00 18.54 C ATOM 2464 C GLU C 104 12.533 -13.773 25.590 1.00 19.92 C ATOM 2465 O GLU C 104 13.404 -12.997 26.039 1.00 21.11 O ATOM 2466 CB GLU C 104 10.304 -13.127 24.688 1.00 17.38 C ATOM 2467 CG GLU C 104 10.501 -11.678 24.316 1.00 15.79 C ATOM 2468 CD GLU C 104 9.817 -11.307 23.023 1.00 14.18 C ATOM 2469 OE1 GLU C 104 8.726 -11.848 22.744 1.00 9.95 O ATOM 2470 OE2 GLU C 104 10.374 -10.460 22.295 1.00 12.10 O ATOM 2471 OXT GLU C 104 12.788 -14.746 24.842 1.00 20.62 O ATOM 0 H GLU C 104 10.893 -11.669 26.643 1.00 17.66 H new ATOM 0 HA GLU C 104 10.721 -14.334 26.332 1.00 18.54 H new ATOM 0 HB2 GLU C 104 10.593 -13.689 23.952 1.00 17.38 H new ATOM 0 HB3 GLU C 104 9.359 -13.298 24.822 1.00 17.38 H new ATOM 0 HG2 GLU C 104 10.161 -11.116 25.030 1.00 15.79 H new ATOM 0 HG3 GLU C 104 11.450 -11.495 24.239 1.00 15.79 H new TER 2472 GLU C 104 ATOM 2473 N GLY D 1 -2.570 -3.335 26.884 1.00 19.47 N ATOM 2474 CA GLY D 1 -1.375 -2.698 26.248 1.00 19.73 C ATOM 2475 C GLY D 1 -1.182 -3.076 24.789 1.00 19.38 C ATOM 2476 O GLY D 1 -1.107 -4.257 24.454 1.00 21.25 O ATOM 0 H1 GLY D 1 -2.628 -3.076 27.733 1.00 19.47 H new ATOM 0 H2 GLY D 1 -3.306 -3.088 26.448 1.00 19.47 H new ATOM 0 H3 GLY D 1 -2.488 -4.221 26.850 1.00 19.47 H new ATOM 0 HA2 GLY D 1 -1.459 -1.734 26.315 1.00 19.73 H new ATOM 0 HA3 GLY D 1 -0.582 -2.949 26.746 1.00 19.73 H new ATOM 2477 N ASP D 2 -1.095 -2.071 23.919 1.00 18.66 N ATOM 2478 CA ASP D 2 -0.910 -2.296 22.484 1.00 16.17 C ATOM 2479 C ASP D 2 0.575 -2.474 22.154 1.00 16.38 C ATOM 2480 O ASP D 2 1.311 -1.493 22.001 1.00 15.51 O ATOM 2481 CB ASP D 2 -1.468 -1.110 21.697 1.00 15.87 C ATOM 2482 CG ASP D 2 -1.477 -1.350 20.201 1.00 16.52 C ATOM 2483 OD1 ASP D 2 -0.567 -2.038 19.692 1.00 16.15 O ATOM 2484 OD2 ASP D 2 -2.389 -0.831 19.527 1.00 19.75 O ATOM 0 H ASP D 2 -1.141 -1.242 24.142 1.00 18.66 H new ATOM 0 HA ASP D 2 -1.385 -3.104 22.236 1.00 16.17 H new ATOM 0 HB2 ASP D 2 -2.372 -0.925 21.996 1.00 15.87 H new ATOM 0 HB3 ASP D 2 -0.938 -0.321 21.891 1.00 15.87 H new ATOM 2485 N VAL D 3 1.000 -3.730 22.047 1.00 15.56 N ATOM 2486 CA VAL D 3 2.385 -4.081 21.748 1.00 14.65 C ATOM 2487 C VAL D 3 2.974 -3.370 20.524 1.00 17.61 C ATOM 2488 O VAL D 3 4.006 -2.696 20.622 1.00 18.90 O ATOM 2489 CB VAL D 3 2.524 -5.612 21.554 1.00 12.89 C ATOM 2490 CG1 VAL D 3 3.902 -5.960 21.009 1.00 9.11 C ATOM 2491 CG2 VAL D 3 2.296 -6.319 22.885 1.00 11.11 C ATOM 0 H VAL D 3 0.485 -4.411 22.147 1.00 15.56 H new ATOM 0 HA VAL D 3 2.893 -3.777 22.517 1.00 14.65 H new ATOM 0 HB VAL D 3 1.858 -5.908 20.914 1.00 12.89 H new ATOM 0 HG11 VAL D 3 3.972 -6.921 20.894 1.00 9.11 H new ATOM 0 HG12 VAL D 3 4.032 -5.522 20.153 1.00 9.11 H new ATOM 0 HG13 VAL D 3 4.582 -5.659 21.632 1.00 9.11 H new ATOM 0 HG21 VAL D 3 2.383 -7.277 22.762 1.00 11.11 H new ATOM 0 HG22 VAL D 3 2.954 -6.015 23.530 1.00 11.11 H new ATOM 0 HG23 VAL D 3 1.406 -6.115 23.211 1.00 11.11 H new ATOM 2492 N GLU D 4 2.325 -3.530 19.376 1.00 17.97 N ATOM 2493 CA GLU D 4 2.790 -2.917 18.138 1.00 17.05 C ATOM 2494 C GLU D 4 3.146 -1.442 18.334 1.00 17.19 C ATOM 2495 O GLU D 4 4.233 -1.002 17.939 1.00 17.37 O ATOM 2496 CB GLU D 4 1.718 -3.068 17.053 1.00 17.89 C ATOM 2497 CG GLU D 4 1.989 -2.296 15.773 1.00 18.65 C ATOM 2498 CD GLU D 4 0.961 -2.579 14.693 1.00 17.78 C ATOM 2499 OE1 GLU D 4 -0.242 -2.642 15.011 1.00 16.94 O ATOM 2500 OE2 GLU D 4 1.355 -2.729 13.521 1.00 20.00 O ATOM 0 H GLU D 4 1.606 -3.995 19.293 1.00 17.97 H new ATOM 0 HA GLU D 4 3.599 -3.375 17.861 1.00 17.05 H new ATOM 0 HB2 GLU D 4 1.628 -4.009 16.835 1.00 17.89 H new ATOM 0 HB3 GLU D 4 0.866 -2.778 17.416 1.00 17.89 H new ATOM 0 HG2 GLU D 4 1.996 -1.346 15.968 1.00 18.65 H new ATOM 0 HG3 GLU D 4 2.872 -2.524 15.442 1.00 18.65 H new ATOM 2501 N LYS D 5 2.237 -0.681 18.939 1.00 14.02 N ATOM 2502 CA LYS D 5 2.494 0.734 19.180 1.00 12.76 C ATOM 2503 C LYS D 5 3.673 0.864 20.126 1.00 10.64 C ATOM 2504 O LYS D 5 4.528 1.731 19.954 1.00 8.21 O ATOM 2505 CB LYS D 5 1.278 1.412 19.810 1.00 15.60 C ATOM 2506 CG LYS D 5 0.090 1.552 18.882 1.00 19.13 C ATOM 2507 CD LYS D 5 -1.082 2.212 19.586 1.00 20.62 C ATOM 2508 CE LYS D 5 -2.194 2.464 18.601 1.00 25.57 C ATOM 2509 NZ LYS D 5 -2.500 1.213 17.858 1.00 27.79 N ATOM 0 H LYS D 5 1.473 -0.962 19.215 1.00 14.02 H new ATOM 0 HA LYS D 5 2.684 1.164 18.331 1.00 12.76 H new ATOM 0 HB2 LYS D 5 1.007 0.904 20.591 1.00 15.60 H new ATOM 0 HB3 LYS D 5 1.538 2.293 20.121 1.00 15.60 H new ATOM 0 HG2 LYS D 5 0.342 2.077 18.107 1.00 19.13 H new ATOM 0 HG3 LYS D 5 -0.175 0.677 18.558 1.00 19.13 H new ATOM 0 HD2 LYS D 5 -1.399 1.644 20.306 1.00 20.62 H new ATOM 0 HD3 LYS D 5 -0.799 3.048 19.988 1.00 20.62 H new ATOM 0 HE2 LYS D 5 -2.986 2.776 19.067 1.00 25.57 H new ATOM 0 HE3 LYS D 5 -1.936 3.164 17.981 1.00 25.57 H new ATOM 0 HZ1 LYS D 5 -3.320 1.264 17.515 1.00 27.79 H new ATOM 0 HZ2 LYS D 5 -1.910 1.106 17.200 1.00 27.79 H new ATOM 0 HZ3 LYS D 5 -2.454 0.519 18.413 1.00 27.79 H new ATOM 2510 N GLY D 6 3.711 -0.010 21.127 1.00 9.23 N ATOM 2511 CA GLY D 6 4.789 0.027 22.099 1.00 10.14 C ATOM 2512 C GLY D 6 6.141 -0.176 21.453 1.00 7.89 C ATOM 2513 O GLY D 6 7.089 0.536 21.755 1.00 6.77 O ATOM 0 H GLY D 6 3.126 -0.626 21.258 1.00 9.23 H new ATOM 0 HA2 GLY D 6 4.777 0.879 22.562 1.00 10.14 H new ATOM 0 HA3 GLY D 6 4.644 -0.661 22.768 1.00 10.14 H new ATOM 2514 N LYS D 7 6.219 -1.149 20.552 1.00 7.30 N ATOM 2515 CA LYS D 7 7.461 -1.458 19.857 1.00 7.36 C ATOM 2516 C LYS D 7 8.030 -0.210 19.178 1.00 7.94 C ATOM 2517 O LYS D 7 9.208 0.110 19.341 1.00 5.24 O ATOM 2518 CB LYS D 7 7.210 -2.550 18.813 1.00 8.22 C ATOM 2519 CG LYS D 7 8.474 -3.166 18.206 1.00 8.10 C ATOM 2520 CD LYS D 7 8.146 -4.039 16.992 1.00 5.65 C ATOM 2521 CE LYS D 7 7.111 -5.121 17.321 1.00 7.12 C ATOM 2522 NZ LYS D 7 6.634 -5.867 16.103 1.00 3.14 N ATOM 0 H LYS D 7 5.555 -1.647 20.327 1.00 7.30 H new ATOM 0 HA LYS D 7 8.108 -1.774 20.507 1.00 7.36 H new ATOM 0 HB2 LYS D 7 6.687 -3.256 19.223 1.00 8.22 H new ATOM 0 HB3 LYS D 7 6.672 -2.177 18.097 1.00 8.22 H new ATOM 0 HG2 LYS D 7 9.085 -2.460 17.943 1.00 8.10 H new ATOM 0 HG3 LYS D 7 8.929 -3.700 18.876 1.00 8.10 H new ATOM 0 HD2 LYS D 7 7.810 -3.480 16.274 1.00 5.65 H new ATOM 0 HD3 LYS D 7 8.958 -4.458 16.668 1.00 5.65 H new ATOM 0 HE2 LYS D 7 7.497 -5.751 17.949 1.00 7.12 H new ATOM 0 HE3 LYS D 7 6.350 -4.711 17.762 1.00 7.12 H new ATOM 0 HZ1 LYS D 7 5.920 -6.355 16.314 1.00 3.14 H new ATOM 0 HZ2 LYS D 7 6.418 -5.286 15.464 1.00 3.14 H new ATOM 0 HZ3 LYS D 7 7.282 -6.402 15.810 1.00 3.14 H new ATOM 2523 N LYS D 8 7.181 0.492 18.425 1.00 8.96 N ATOM 2524 CA LYS D 8 7.587 1.703 17.717 1.00 8.81 C ATOM 2525 C LYS D 8 8.120 2.779 18.655 1.00 9.48 C ATOM 2526 O LYS D 8 9.178 3.361 18.408 1.00 10.27 O ATOM 2527 CB LYS D 8 6.415 2.274 16.918 1.00 10.91 C ATOM 2528 CG LYS D 8 6.755 3.585 16.230 1.00 12.22 C ATOM 2529 CD LYS D 8 5.575 4.171 15.491 1.00 16.69 C ATOM 2530 CE LYS D 8 5.921 5.551 14.933 1.00 19.35 C ATOM 2531 NZ LYS D 8 4.754 6.210 14.275 1.00 21.90 N ATOM 0 H LYS D 8 6.356 0.278 18.312 1.00 8.96 H new ATOM 0 HA LYS D 8 8.306 1.444 17.119 1.00 8.81 H new ATOM 0 HB2 LYS D 8 6.137 1.626 16.252 1.00 10.91 H new ATOM 0 HB3 LYS D 8 5.660 2.411 17.512 1.00 10.91 H new ATOM 0 HG2 LYS D 8 7.068 4.222 16.891 1.00 12.22 H new ATOM 0 HG3 LYS D 8 7.484 3.441 15.607 1.00 12.22 H new ATOM 0 HD2 LYS D 8 5.314 3.580 14.767 1.00 16.69 H new ATOM 0 HD3 LYS D 8 4.814 4.240 16.089 1.00 16.69 H new ATOM 0 HE2 LYS D 8 6.244 6.116 15.652 1.00 19.35 H new ATOM 0 HE3 LYS D 8 6.644 5.466 14.292 1.00 19.35 H new ATOM 0 HZ1 LYS D 8 4.976 6.450 13.447 1.00 21.90 H new ATOM 0 HZ2 LYS D 8 4.070 5.642 14.245 1.00 21.90 H new ATOM 0 HZ3 LYS D 8 4.519 6.932 14.740 1.00 21.90 H new ATOM 2532 N ILE D 9 7.379 3.047 19.725 1.00 9.48 N ATOM 2533 CA ILE D 9 7.779 4.053 20.705 1.00 8.88 C ATOM 2534 C ILE D 9 9.146 3.725 21.281 1.00 10.12 C ATOM 2535 O ILE D 9 10.003 4.602 21.416 1.00 9.35 O ATOM 2536 CB ILE D 9 6.774 4.136 21.866 1.00 8.29 C ATOM 2537 CG1 ILE D 9 5.394 4.531 21.330 1.00 10.86 C ATOM 2538 CG2 ILE D 9 7.265 5.131 22.898 1.00 7.88 C ATOM 2539 CD1 ILE D 9 4.303 4.594 22.383 1.00 10.21 C ATOM 0 H ILE D 9 6.635 2.654 19.903 1.00 9.48 H new ATOM 0 HA ILE D 9 7.807 4.905 20.242 1.00 8.88 H new ATOM 0 HB ILE D 9 6.696 3.269 22.293 1.00 8.29 H new ATOM 0 HG12 ILE D 9 5.463 5.398 20.900 1.00 10.86 H new ATOM 0 HG13 ILE D 9 5.131 3.895 20.646 1.00 10.86 H new ATOM 0 HG21 ILE D 9 6.629 5.181 23.628 1.00 7.88 H new ATOM 0 HG22 ILE D 9 8.127 4.845 23.239 1.00 7.88 H new ATOM 0 HG23 ILE D 9 7.354 6.005 22.488 1.00 7.88 H new ATOM 0 HD11 ILE D 9 3.465 4.849 21.966 1.00 10.21 H new ATOM 0 HD12 ILE D 9 4.204 3.724 22.800 1.00 10.21 H new ATOM 0 HD13 ILE D 9 4.541 5.250 23.057 1.00 10.21 H new ATOM 2540 N PHE D 10 9.349 2.455 21.620 1.00 9.66 N ATOM 2541 CA PHE D 10 10.621 2.031 22.183 1.00 9.40 C ATOM 2542 C PHE D 10 11.758 2.272 21.195 1.00 9.62 C ATOM 2543 O PHE D 10 12.806 2.823 21.540 1.00 9.69 O ATOM 2544 CB PHE D 10 10.593 0.546 22.541 1.00 7.97 C ATOM 2545 CG PHE D 10 11.862 0.077 23.177 1.00 9.13 C ATOM 2546 CD1 PHE D 10 12.092 0.292 24.532 1.00 9.43 C ATOM 2547 CD2 PHE D 10 12.869 -0.499 22.404 1.00 8.54 C ATOM 2548 CE1 PHE D 10 13.307 -0.054 25.113 1.00 7.89 C ATOM 2549 CE2 PHE D 10 14.088 -0.846 22.973 1.00 8.45 C ATOM 2550 CZ PHE D 10 14.307 -0.622 24.332 1.00 9.37 C ATOM 0 H PHE D 10 8.766 1.829 21.532 1.00 9.66 H new ATOM 0 HA PHE D 10 10.769 2.555 22.986 1.00 9.40 H new ATOM 0 HB2 PHE D 10 9.853 0.377 23.145 1.00 7.97 H new ATOM 0 HB3 PHE D 10 10.428 0.027 21.738 1.00 7.97 H new ATOM 0 HD1 PHE D 10 11.424 0.672 25.056 1.00 9.43 H new ATOM 0 HD2 PHE D 10 12.723 -0.653 21.498 1.00 8.54 H new ATOM 0 HE1 PHE D 10 13.450 0.094 26.020 1.00 7.89 H new ATOM 0 HE2 PHE D 10 14.756 -1.226 22.449 1.00 8.45 H new ATOM 0 HZ PHE D 10 15.122 -0.853 24.716 1.00 9.37 H new ATOM 2551 N VAL D 11 11.542 1.834 19.964 1.00 8.68 N ATOM 2552 CA VAL D 11 12.531 1.996 18.919 1.00 9.63 C ATOM 2553 C VAL D 11 12.872 3.464 18.701 1.00 9.24 C ATOM 2554 O VAL D 11 14.040 3.819 18.592 1.00 10.59 O ATOM 2555 CB VAL D 11 12.025 1.393 17.589 1.00 8.09 C ATOM 2556 CG1 VAL D 11 13.017 1.676 16.469 1.00 6.95 C ATOM 2557 CG2 VAL D 11 11.829 -0.105 17.751 1.00 10.96 C ATOM 0 H VAL D 11 10.821 1.437 19.714 1.00 8.68 H new ATOM 0 HA VAL D 11 13.330 1.527 19.205 1.00 9.63 H new ATOM 0 HB VAL D 11 11.176 1.802 17.358 1.00 8.09 H new ATOM 0 HG11 VAL D 11 12.688 1.293 15.641 1.00 6.95 H new ATOM 0 HG12 VAL D 11 13.120 2.635 16.363 1.00 6.95 H new ATOM 0 HG13 VAL D 11 13.875 1.281 16.689 1.00 6.95 H new ATOM 0 HG21 VAL D 11 11.511 -0.482 16.916 1.00 10.96 H new ATOM 0 HG22 VAL D 11 12.673 -0.518 17.991 1.00 10.96 H new ATOM 0 HG23 VAL D 11 11.177 -0.273 18.449 1.00 10.96 H new ATOM 2558 N GLN D 12 11.858 4.319 18.636 1.00 9.30 N ATOM 2559 CA GLN D 12 12.110 5.737 18.406 1.00 11.36 C ATOM 2560 C GLN D 12 12.551 6.524 19.640 1.00 10.77 C ATOM 2561 O GLN D 12 13.217 7.545 19.511 1.00 9.65 O ATOM 2562 CB GLN D 12 10.877 6.406 17.776 1.00 12.64 C ATOM 2563 CG GLN D 12 9.604 6.337 18.617 1.00 16.73 C ATOM 2564 CD GLN D 12 8.349 6.724 17.831 1.00 17.07 C ATOM 2565 OE1 GLN D 12 7.235 6.729 18.372 1.00 15.19 O ATOM 2566 NE2 GLN D 12 8.526 7.047 16.552 1.00 14.27 N ATOM 0 H GLN D 12 11.030 4.104 18.721 1.00 9.30 H new ATOM 0 HA GLN D 12 12.864 5.762 17.796 1.00 11.36 H new ATOM 0 HB2 GLN D 12 11.084 7.338 17.603 1.00 12.64 H new ATOM 0 HB3 GLN D 12 10.704 5.990 16.917 1.00 12.64 H new ATOM 0 HG2 GLN D 12 9.499 5.437 18.963 1.00 16.73 H new ATOM 0 HG3 GLN D 12 9.695 6.926 19.382 1.00 16.73 H new ATOM 0 HE21 GLN D 12 9.315 7.032 16.210 1.00 14.27 H new ATOM 0 HE22 GLN D 12 7.851 7.270 16.068 1.00 14.27 H new ATOM 2567 N LYS D 13 12.221 6.044 20.832 1.00 10.75 N ATOM 2568 CA LYS D 13 12.592 6.788 22.032 1.00 13.58 C ATOM 2569 C LYS D 13 13.503 6.105 23.039 1.00 13.01 C ATOM 2570 O LYS D 13 13.994 6.761 23.955 1.00 15.35 O ATOM 2571 CB LYS D 13 11.325 7.250 22.760 1.00 13.19 C ATOM 2572 CG LYS D 13 10.421 8.115 21.905 1.00 17.69 C ATOM 2573 CD LYS D 13 11.188 9.282 21.297 1.00 19.09 C ATOM 2574 CE LYS D 13 10.243 10.256 20.628 1.00 22.18 C ATOM 2575 NZ LYS D 13 9.225 10.711 21.615 1.00 22.19 N ATOM 0 H LYS D 13 11.794 5.310 20.969 1.00 10.75 H new ATOM 0 HA LYS D 13 13.126 7.518 21.682 1.00 13.58 H new ATOM 0 HB2 LYS D 13 10.829 6.471 23.058 1.00 13.19 H new ATOM 0 HB3 LYS D 13 11.579 7.746 23.554 1.00 13.19 H new ATOM 0 HG2 LYS D 13 10.030 7.578 21.198 1.00 17.69 H new ATOM 0 HG3 LYS D 13 9.688 8.452 22.444 1.00 17.69 H new ATOM 0 HD2 LYS D 13 11.693 9.738 21.988 1.00 19.09 H new ATOM 0 HD3 LYS D 13 11.829 8.951 20.649 1.00 19.09 H new ATOM 0 HE2 LYS D 13 10.737 11.016 20.283 1.00 22.18 H new ATOM 0 HE3 LYS D 13 9.808 9.833 19.871 1.00 22.18 H new ATOM 0 HZ1 LYS D 13 8.912 11.508 21.373 1.00 22.19 H new ATOM 0 HZ2 LYS D 13 8.555 10.125 21.642 1.00 22.19 H new ATOM 0 HZ3 LYS D 13 9.599 10.772 22.421 1.00 22.19 H new ATOM 2576 N CYS D 14 13.754 4.812 22.877 1.00 12.19 N ATOM 2577 CA CYS D 14 14.577 4.107 23.854 1.00 11.81 C ATOM 2578 C CYS D 14 15.745 3.284 23.319 1.00 11.99 C ATOM 2579 O CYS D 14 16.815 3.274 23.919 1.00 12.78 O ATOM 2580 CB CYS D 14 13.680 3.201 24.696 1.00 10.47 C ATOM 2581 SG CYS D 14 12.170 4.014 25.315 1.00 11.58 S ATOM 0 H CYS D 14 13.465 4.332 22.224 1.00 12.19 H new ATOM 0 HA CYS D 14 14.998 4.815 24.366 1.00 11.81 H new ATOM 0 HB2 CYS D 14 13.426 2.430 24.165 1.00 10.47 H new ATOM 0 HB3 CYS D 14 14.190 2.869 25.452 1.00 10.47 H new ATOM 2582 N ALA D 15 15.542 2.591 22.202 1.00 12.08 N ATOM 2583 CA ALA D 15 16.586 1.748 21.630 1.00 10.96 C ATOM 2584 C ALA D 15 17.960 2.420 21.601 1.00 10.95 C ATOM 2585 O ALA D 15 18.974 1.780 21.860 1.00 10.77 O ATOM 2586 CB ALA D 15 16.183 1.296 20.220 1.00 9.75 C ATOM 0 H ALA D 15 14.805 2.596 21.759 1.00 12.08 H new ATOM 0 HA ALA D 15 16.672 0.977 22.212 1.00 10.96 H new ATOM 0 HB1 ALA D 15 16.882 0.736 19.847 1.00 9.75 H new ATOM 0 HB2 ALA D 15 15.356 0.792 20.266 1.00 9.75 H new ATOM 0 HB3 ALA D 15 16.056 2.074 19.655 1.00 9.75 H new ATOM 2587 N GLN D 16 17.995 3.709 21.296 1.00 11.07 N ATOM 2588 CA GLN D 16 19.261 4.429 21.241 1.00 15.20 C ATOM 2589 C GLN D 16 20.162 4.214 22.461 1.00 15.62 C ATOM 2590 O GLN D 16 21.385 4.267 22.346 1.00 16.29 O ATOM 2591 CB GLN D 16 19.000 5.927 21.062 1.00 18.01 C ATOM 2592 CG GLN D 16 17.661 6.387 21.624 1.00 22.64 C ATOM 2593 CD GLN D 16 16.586 6.479 20.554 1.00 24.17 C ATOM 2594 OE1 GLN D 16 16.548 7.439 19.779 1.00 26.92 O ATOM 2595 NE2 GLN D 16 15.715 5.477 20.496 1.00 22.72 N ATOM 0 H GLN D 16 17.301 4.185 21.118 1.00 11.07 H new ATOM 0 HA GLN D 16 19.739 4.064 20.480 1.00 15.20 H new ATOM 0 HB2 GLN D 16 19.711 6.425 21.494 1.00 18.01 H new ATOM 0 HB3 GLN D 16 19.036 6.143 20.117 1.00 18.01 H new ATOM 0 HG2 GLN D 16 17.374 5.770 22.315 1.00 22.64 H new ATOM 0 HG3 GLN D 16 17.770 7.254 22.045 1.00 22.64 H new ATOM 0 HE21 GLN D 16 15.773 4.824 21.053 1.00 22.72 H new ATOM 0 HE22 GLN D 16 15.094 5.481 19.901 1.00 22.72 H new ATOM 2596 N CYS D 17 19.561 3.974 23.625 1.00 17.16 N ATOM 2597 CA CYS D 17 20.325 3.774 24.865 1.00 16.00 C ATOM 2598 C CYS D 17 20.048 2.439 25.536 1.00 15.77 C ATOM 2599 O CYS D 17 20.815 2.006 26.399 1.00 14.88 O ATOM 2600 CB CYS D 17 20.001 4.871 25.886 1.00 16.00 C ATOM 2601 SG CYS D 17 20.280 6.580 25.328 1.00 15.98 S ATOM 0 H CYS D 17 18.708 3.922 23.722 1.00 17.16 H new ATOM 0 HA CYS D 17 21.256 3.802 24.596 1.00 16.00 H new ATOM 0 HB2 CYS D 17 19.071 4.782 26.147 1.00 16.00 H new ATOM 0 HB3 CYS D 17 20.535 4.717 26.681 1.00 16.00 H new ATOM 2602 N HIS D 18 18.951 1.793 25.154 1.00 13.86 N ATOM 2603 CA HIS D 18 18.583 0.530 25.775 1.00 13.24 C ATOM 2604 C HIS D 18 18.301 -0.577 24.781 1.00 13.29 C ATOM 2605 O HIS D 18 17.729 -0.339 23.725 1.00 12.73 O ATOM 2606 CB HIS D 18 17.313 0.691 26.617 1.00 13.83 C ATOM 2607 CG HIS D 18 17.435 1.650 27.760 1.00 14.88 C ATOM 2608 ND1 HIS D 18 18.146 1.359 28.905 1.00 14.71 N ATOM 2609 CD2 HIS D 18 16.865 2.861 27.969 1.00 13.17 C ATOM 2610 CE1 HIS D 18 18.002 2.347 29.772 1.00 13.65 C ATOM 2611 NE2 HIS D 18 17.229 3.270 29.229 1.00 12.38 N ATOM 0 H HIS D 18 18.412 2.067 24.543 1.00 13.86 H new ATOM 0 HA HIS D 18 19.352 0.286 26.314 1.00 13.24 H new ATOM 0 HB2 HIS D 18 16.592 0.986 26.039 1.00 13.83 H new ATOM 0 HB3 HIS D 18 17.059 -0.178 26.966 1.00 13.83 H new ATOM 0 HD1 HIS D 18 18.610 0.647 29.035 1.00 14.71 H new ATOM 0 HD2 HIS D 18 16.327 3.328 27.371 1.00 13.17 H new ATOM 0 HE1 HIS D 18 18.381 2.385 30.620 1.00 13.65 H new ATOM 2612 N THR D 19 18.704 -1.789 25.149 1.00 13.53 N ATOM 2613 CA THR D 19 18.433 -2.988 24.370 1.00 12.40 C ATOM 2614 C THR D 19 17.550 -3.801 25.324 1.00 12.44 C ATOM 2615 O THR D 19 17.680 -3.674 26.544 1.00 10.36 O ATOM 2616 CB THR D 19 19.705 -3.796 24.078 1.00 13.42 C ATOM 2617 OG1 THR D 19 20.353 -4.125 25.314 1.00 12.08 O ATOM 2618 CG2 THR D 19 20.650 -3.007 23.181 1.00 11.58 C ATOM 0 H THR D 19 19.149 -1.938 25.869 1.00 13.53 H new ATOM 0 HA THR D 19 18.041 -2.780 23.507 1.00 12.40 H new ATOM 0 HB THR D 19 19.461 -4.612 23.614 1.00 13.42 H new ATOM 0 HG1 THR D 19 21.158 -3.888 25.280 1.00 12.08 H new ATOM 0 HG21 THR D 19 21.447 -3.533 23.008 1.00 11.58 H new ATOM 0 HG22 THR D 19 20.207 -2.806 22.342 1.00 11.58 H new ATOM 0 HG23 THR D 19 20.899 -2.179 23.621 1.00 11.58 H new ATOM 2619 N VAL D 20 16.646 -4.612 24.785 1.00 12.04 N ATOM 2620 CA VAL D 20 15.772 -5.414 25.629 1.00 11.55 C ATOM 2621 C VAL D 20 16.012 -6.924 25.521 1.00 12.56 C ATOM 2622 O VAL D 20 15.572 -7.686 26.382 1.00 14.47 O ATOM 2623 CB VAL D 20 14.278 -5.122 25.330 1.00 10.16 C ATOM 2624 CG1 VAL D 20 13.900 -3.749 25.857 1.00 9.36 C ATOM 2625 CG2 VAL D 20 14.013 -5.204 23.842 1.00 6.90 C ATOM 0 H VAL D 20 16.524 -4.711 23.940 1.00 12.04 H new ATOM 0 HA VAL D 20 15.994 -5.149 26.536 1.00 11.55 H new ATOM 0 HB VAL D 20 13.734 -5.789 25.777 1.00 10.16 H new ATOM 0 HG11 VAL D 20 12.965 -3.575 25.666 1.00 9.36 H new ATOM 0 HG12 VAL D 20 14.045 -3.719 26.816 1.00 9.36 H new ATOM 0 HG13 VAL D 20 14.449 -3.075 25.427 1.00 9.36 H new ATOM 0 HG21 VAL D 20 13.076 -5.020 23.669 1.00 6.90 H new ATOM 0 HG22 VAL D 20 14.561 -4.551 23.379 1.00 6.90 H new ATOM 0 HG23 VAL D 20 14.231 -6.094 23.523 1.00 6.90 H new ATOM 2626 N GLU D 21 16.717 -7.357 24.480 1.00 11.82 N ATOM 2627 CA GLU D 21 16.981 -8.781 24.283 1.00 10.57 C ATOM 2628 C GLU D 21 17.829 -9.399 25.396 1.00 11.75 C ATOM 2629 O GLU D 21 18.731 -8.754 25.948 1.00 7.90 O ATOM 2630 CB GLU D 21 17.693 -9.021 22.942 1.00 11.13 C ATOM 2631 CG GLU D 21 16.918 -8.620 21.680 1.00 11.67 C ATOM 2632 CD GLU D 21 16.694 -7.115 21.553 1.00 10.01 C ATOM 2633 OE1 GLU D 21 17.538 -6.333 22.039 1.00 12.53 O ATOM 2634 OE2 GLU D 21 15.680 -6.715 20.949 1.00 9.89 O ATOM 0 H GLU D 21 17.051 -6.844 23.876 1.00 11.82 H new ATOM 0 HA GLU D 21 16.112 -9.211 24.293 1.00 10.57 H new ATOM 0 HB2 GLU D 21 18.532 -8.535 22.951 1.00 11.13 H new ATOM 0 HB3 GLU D 21 17.912 -9.964 22.878 1.00 11.13 H new ATOM 0 HG2 GLU D 21 17.401 -8.935 20.900 1.00 11.67 H new ATOM 0 HG3 GLU D 21 16.058 -9.068 21.682 1.00 11.67 H new ATOM 2635 N LYS D 22 17.540 -10.656 25.722 1.00 10.95 N ATOM 2636 CA LYS D 22 18.312 -11.353 26.742 1.00 12.76 C ATOM 2637 C LYS D 22 19.744 -11.452 26.212 1.00 12.90 C ATOM 2638 O LYS D 22 19.961 -11.743 25.039 1.00 14.44 O ATOM 2639 CB LYS D 22 17.730 -12.748 26.989 1.00 14.88 C ATOM 2640 CG LYS D 22 18.492 -13.573 28.019 1.00 17.44 C ATOM 2641 CD LYS D 22 17.685 -14.793 28.434 1.00 23.13 C ATOM 2642 CE LYS D 22 18.401 -15.622 29.493 1.00 25.90 C ATOM 2643 NZ LYS D 22 19.583 -16.347 28.931 1.00 30.18 N ATOM 0 H LYS D 22 16.907 -11.118 25.368 1.00 10.95 H new ATOM 0 HA LYS D 22 18.287 -10.878 27.588 1.00 12.76 H new ATOM 0 HB2 LYS D 22 16.810 -12.656 27.281 1.00 14.88 H new ATOM 0 HB3 LYS D 22 17.714 -13.233 26.149 1.00 14.88 H new ATOM 0 HG2 LYS D 22 19.344 -13.853 27.649 1.00 17.44 H new ATOM 0 HG3 LYS D 22 18.686 -13.028 28.797 1.00 17.44 H new ATOM 0 HD2 LYS D 22 16.823 -14.508 28.776 1.00 23.13 H new ATOM 0 HD3 LYS D 22 17.512 -15.345 27.655 1.00 23.13 H new ATOM 0 HE2 LYS D 22 18.691 -15.043 30.215 1.00 25.90 H new ATOM 0 HE3 LYS D 22 17.781 -16.263 29.875 1.00 25.90 H new ATOM 0 HZ1 LYS D 22 19.976 -16.819 29.575 1.00 30.18 H new ATOM 0 HZ2 LYS D 22 19.315 -16.895 28.283 1.00 30.18 H new ATOM 0 HZ3 LYS D 22 20.163 -15.758 28.600 1.00 30.18 H new ATOM 2644 N GLY D 23 20.727 -11.196 27.061 1.00 12.10 N ATOM 2645 CA GLY D 23 22.094 -11.254 26.588 1.00 12.86 C ATOM 2646 C GLY D 23 22.459 -9.962 25.878 1.00 14.37 C ATOM 2647 O GLY D 23 23.616 -9.748 25.511 1.00 15.24 O ATOM 0 H GLY D 23 20.628 -10.993 27.891 1.00 12.10 H new ATOM 0 HA2 GLY D 23 22.696 -11.402 27.335 1.00 12.86 H new ATOM 0 HA3 GLY D 23 22.202 -12.005 25.983 1.00 12.86 H new ATOM 2648 N GLY D 24 21.467 -9.097 25.683 1.00 13.69 N ATOM 2649 CA GLY D 24 21.710 -7.830 25.026 1.00 13.94 C ATOM 2650 C GLY D 24 22.759 -7.013 25.759 1.00 15.33 C ATOM 2651 O GLY D 24 22.887 -7.097 26.982 1.00 16.01 O ATOM 0 H GLY D 24 20.652 -9.229 25.924 1.00 13.69 H new ATOM 0 HA2 GLY D 24 22.001 -7.988 24.114 1.00 13.94 H new ATOM 0 HA3 GLY D 24 20.883 -7.326 24.977 1.00 13.94 H new ATOM 2652 N LYS D 25 23.508 -6.213 25.009 1.00 16.06 N ATOM 2653 CA LYS D 25 24.567 -5.386 25.578 1.00 17.49 C ATOM 2654 C LYS D 25 24.084 -4.158 26.329 1.00 17.13 C ATOM 2655 O LYS D 25 22.958 -3.700 26.144 1.00 17.72 O ATOM 2656 CB LYS D 25 25.523 -4.931 24.468 1.00 19.40 C ATOM 2657 CG LYS D 25 26.726 -5.845 24.250 1.00 19.95 C ATOM 2658 CD LYS D 25 26.965 -6.136 22.768 1.00 22.91 C ATOM 2659 CE LYS D 25 27.192 -4.868 21.951 1.00 23.24 C ATOM 2660 NZ LYS D 25 27.486 -5.194 20.524 1.00 23.54 N ATOM 0 H LYS D 25 23.418 -6.134 24.157 1.00 16.06 H new ATOM 0 HA LYS D 25 25.010 -5.953 26.229 1.00 17.49 H new ATOM 0 HB2 LYS D 25 25.027 -4.866 23.637 1.00 19.40 H new ATOM 0 HB3 LYS D 25 25.843 -4.040 24.678 1.00 19.40 H new ATOM 0 HG2 LYS D 25 27.518 -5.432 24.629 1.00 19.95 H new ATOM 0 HG3 LYS D 25 26.587 -6.680 24.724 1.00 19.95 H new ATOM 0 HD2 LYS D 25 27.735 -6.718 22.676 1.00 22.91 H new ATOM 0 HD3 LYS D 25 26.202 -6.616 22.409 1.00 22.91 H new ATOM 0 HE2 LYS D 25 26.406 -4.302 22.001 1.00 23.24 H new ATOM 0 HE3 LYS D 25 27.929 -4.364 22.329 1.00 23.24 H new ATOM 0 HZ1 LYS D 25 27.615 -4.441 20.068 1.00 23.54 H new ATOM 0 HZ2 LYS D 25 28.219 -5.697 20.479 1.00 23.54 H new ATOM 0 HZ3 LYS D 25 26.800 -5.639 20.173 1.00 23.54 H new ATOM 2661 N HIS D 26 24.948 -3.649 27.201 1.00 17.00 N ATOM 2662 CA HIS D 26 24.665 -2.431 27.934 1.00 16.70 C ATOM 2663 C HIS D 26 25.126 -1.371 26.950 1.00 16.74 C ATOM 2664 O HIS D 26 26.088 -1.586 26.214 1.00 15.08 O ATOM 2665 CB HIS D 26 25.517 -2.314 29.202 1.00 18.47 C ATOM 2666 CG HIS D 26 25.057 -3.174 30.338 1.00 20.45 C ATOM 2667 ND1 HIS D 26 23.734 -3.276 30.708 1.00 20.61 N ATOM 2668 CD2 HIS D 26 25.754 -3.932 31.219 1.00 21.28 C ATOM 2669 CE1 HIS D 26 23.634 -4.060 31.767 1.00 21.83 C ATOM 2670 NE2 HIS D 26 24.845 -4.471 32.098 1.00 20.97 N ATOM 0 H HIS D 26 25.711 -4.002 27.381 1.00 17.00 H new ATOM 0 HA HIS D 26 23.740 -2.373 28.220 1.00 16.70 H new ATOM 0 HB2 HIS D 26 26.433 -2.546 28.985 1.00 18.47 H new ATOM 0 HB3 HIS D 26 25.520 -1.388 29.492 1.00 18.47 H new ATOM 0 HD2 HIS D 26 26.675 -4.063 31.227 1.00 21.28 H new ATOM 0 HE1 HIS D 26 22.845 -4.284 32.205 1.00 21.83 H new ATOM 0 HE2 HIS D 26 25.034 -4.991 32.756 1.00 20.97 H new ATOM 2671 N LYS D 27 24.442 -0.237 26.923 1.00 16.78 N ATOM 2672 CA LYS D 27 24.806 0.844 26.025 1.00 16.47 C ATOM 2673 C LYS D 27 24.873 2.074 26.907 1.00 18.70 C ATOM 2674 O LYS D 27 25.425 2.014 28.005 1.00 19.07 O ATOM 2675 CB LYS D 27 23.736 1.001 24.942 1.00 16.98 C ATOM 2676 CG LYS D 27 23.592 -0.237 24.062 1.00 16.85 C ATOM 2677 CD LYS D 27 22.388 -0.167 23.136 1.00 17.98 C ATOM 2678 CE LYS D 27 22.471 0.984 22.157 1.00 18.69 C ATOM 2679 NZ LYS D 27 21.363 0.913 21.161 1.00 17.13 N ATOM 0 H LYS D 27 23.760 -0.074 27.420 1.00 16.78 H new ATOM 0 HA LYS D 27 25.647 0.686 25.567 1.00 16.47 H new ATOM 0 HB2 LYS D 27 22.883 1.194 25.362 1.00 16.98 H new ATOM 0 HB3 LYS D 27 23.956 1.764 24.385 1.00 16.98 H new ATOM 0 HG2 LYS D 27 24.397 -0.347 23.531 1.00 16.85 H new ATOM 0 HG3 LYS D 27 23.515 -1.022 24.626 1.00 16.85 H new ATOM 0 HD2 LYS D 27 22.314 -1.000 22.645 1.00 17.98 H new ATOM 0 HD3 LYS D 27 21.581 -0.078 23.667 1.00 17.98 H new ATOM 0 HE2 LYS D 27 22.427 1.826 22.637 1.00 18.69 H new ATOM 0 HE3 LYS D 27 23.326 0.963 21.699 1.00 18.69 H new ATOM 0 HZ1 LYS D 27 21.672 1.135 20.356 1.00 17.13 H new ATOM 0 HZ2 LYS D 27 21.039 0.084 21.136 1.00 17.13 H new ATOM 0 HZ3 LYS D 27 20.716 1.477 21.396 1.00 17.13 H new ATOM 2680 N THR D 28 24.326 3.190 26.446 1.00 19.21 N ATOM 2681 CA THR D 28 24.332 4.372 27.285 1.00 18.83 C ATOM 2682 C THR D 28 23.528 3.942 28.504 1.00 17.93 C ATOM 2683 O THR D 28 23.851 4.286 29.643 1.00 18.38 O ATOM 2684 CB THR D 28 23.630 5.554 26.607 1.00 18.57 C ATOM 2685 OG1 THR D 28 24.303 5.871 25.386 1.00 21.73 O ATOM 2686 CG2 THR D 28 23.654 6.763 27.512 1.00 21.17 C ATOM 0 H THR D 28 23.957 3.282 25.674 1.00 19.21 H new ATOM 0 HA THR D 28 25.233 4.669 27.486 1.00 18.83 H new ATOM 0 HB THR D 28 22.709 5.309 26.424 1.00 18.57 H new ATOM 0 HG1 THR D 28 23.849 5.595 24.736 1.00 21.73 H new ATOM 0 HG21 THR D 28 23.208 7.504 27.074 1.00 21.17 H new ATOM 0 HG22 THR D 28 23.196 6.555 28.342 1.00 21.17 H new ATOM 0 HG23 THR D 28 24.573 7.007 27.703 1.00 21.17 H new ATOM 2687 N GLY D 29 22.482 3.168 28.244 1.00 15.31 N ATOM 2688 CA GLY D 29 21.641 2.677 29.318 1.00 14.60 C ATOM 2689 C GLY D 29 21.881 1.197 29.543 1.00 12.58 C ATOM 2690 O GLY D 29 22.599 0.559 28.770 1.00 13.22 O ATOM 0 H GLY D 29 22.245 2.918 27.456 1.00 15.31 H new ATOM 0 HA2 GLY D 29 21.828 3.168 30.133 1.00 14.60 H new ATOM 0 HA3 GLY D 29 20.708 2.830 29.102 1.00 14.60 H new ATOM 2691 N PRO D 30 21.293 0.614 30.596 1.00 11.43 N ATOM 2692 CA PRO D 30 21.476 -0.811 30.886 1.00 8.49 C ATOM 2693 C PRO D 30 20.507 -1.717 30.141 1.00 7.30 C ATOM 2694 O PRO D 30 19.374 -1.332 29.841 1.00 4.75 O ATOM 2695 CB PRO D 30 21.247 -0.876 32.385 1.00 9.43 C ATOM 2696 CG PRO D 30 20.129 0.116 32.559 1.00 12.27 C ATOM 2697 CD PRO D 30 20.575 1.285 31.696 1.00 9.88 C ATOM 0 HA PRO D 30 22.346 -1.129 30.600 1.00 8.49 H new ATOM 0 HB2 PRO D 30 20.995 -1.766 32.678 1.00 9.43 H new ATOM 0 HB3 PRO D 30 22.039 -0.626 32.887 1.00 9.43 H new ATOM 0 HG2 PRO D 30 19.279 -0.245 32.263 1.00 12.27 H new ATOM 0 HG3 PRO D 30 20.020 0.375 33.487 1.00 12.27 H new ATOM 0 HD2 PRO D 30 19.822 1.803 31.372 1.00 9.88 H new ATOM 0 HD3 PRO D 30 21.150 1.895 32.184 1.00 9.88 H new ATOM 2698 N ASN D 31 20.958 -2.926 29.841 1.00 6.56 N ATOM 2699 CA ASN D 31 20.094 -3.886 29.182 1.00 6.52 C ATOM 2700 C ASN D 31 18.853 -3.974 30.073 1.00 4.91 C ATOM 2701 O ASN D 31 18.964 -3.890 31.299 1.00 1.71 O ATOM 2702 CB ASN D 31 20.788 -5.245 29.084 1.00 7.23 C ATOM 2703 CG ASN D 31 19.861 -6.325 28.575 1.00 10.63 C ATOM 2704 OD1 ASN D 31 19.179 -6.994 29.356 1.00 9.25 O ATOM 2705 ND2 ASN D 31 19.806 -6.481 27.258 1.00 6.56 N ATOM 0 H ASN D 31 21.753 -3.207 30.009 1.00 6.56 H new ATOM 0 HA ASN D 31 19.872 -3.621 28.276 1.00 6.52 H new ATOM 0 HB2 ASN D 31 21.554 -5.173 28.493 1.00 7.23 H new ATOM 0 HB3 ASN D 31 21.127 -5.497 29.957 1.00 7.23 H new ATOM 0 HD21 ASN D 31 19.279 -7.068 26.916 1.00 6.56 H new ATOM 0 HD22 ASN D 31 20.298 -5.995 26.747 1.00 6.56 H new ATOM 2706 N LEU D 32 17.678 -4.134 29.472 1.00 5.50 N ATOM 2707 CA LEU D 32 16.442 -4.188 30.262 1.00 5.64 C ATOM 2708 C LEU D 32 15.740 -5.556 30.345 1.00 5.42 C ATOM 2709 O LEU D 32 14.662 -5.659 30.927 1.00 7.88 O ATOM 2710 CB LEU D 32 15.449 -3.142 29.735 1.00 1.71 C ATOM 2711 CG LEU D 32 15.957 -1.698 29.653 1.00 2.32 C ATOM 2712 CD1 LEU D 32 14.943 -0.829 28.932 1.00 1.87 C ATOM 2713 CD2 LEU D 32 16.223 -1.164 31.053 1.00 4.98 C ATOM 0 H LEU D 32 17.570 -4.213 28.622 1.00 5.50 H new ATOM 0 HA LEU D 32 16.728 -4.001 31.170 1.00 5.64 H new ATOM 0 HB2 LEU D 32 15.163 -3.414 28.849 1.00 1.71 H new ATOM 0 HB3 LEU D 32 14.663 -3.156 30.303 1.00 1.71 H new ATOM 0 HG LEU D 32 16.787 -1.679 29.151 1.00 2.32 H new ATOM 0 HD11 LEU D 32 15.273 0.082 28.885 1.00 1.87 H new ATOM 0 HD12 LEU D 32 14.805 -1.169 28.034 1.00 1.87 H new ATOM 0 HD13 LEU D 32 14.102 -0.844 29.415 1.00 1.87 H new ATOM 0 HD21 LEU D 32 16.544 -0.250 30.996 1.00 4.98 H new ATOM 0 HD22 LEU D 32 15.402 -1.186 31.569 1.00 4.98 H new ATOM 0 HD23 LEU D 32 16.893 -1.715 31.488 1.00 4.98 H new ATOM 2714 N HIS D 33 16.332 -6.602 29.778 1.00 6.65 N ATOM 2715 CA HIS D 33 15.698 -7.923 29.829 1.00 7.59 C ATOM 2716 C HIS D 33 15.470 -8.381 31.273 1.00 6.50 C ATOM 2717 O HIS D 33 16.363 -8.269 32.108 1.00 5.20 O ATOM 2718 CB HIS D 33 16.549 -8.957 29.093 1.00 9.49 C ATOM 2719 CG HIS D 33 15.807 -10.219 28.769 1.00 12.37 C ATOM 2720 ND1 HIS D 33 15.659 -11.252 29.670 1.00 11.16 N ATOM 2721 CD2 HIS D 33 15.111 -10.581 27.665 1.00 11.76 C ATOM 2722 CE1 HIS D 33 14.901 -12.194 29.136 1.00 11.92 C ATOM 2723 NE2 HIS D 33 14.554 -11.810 27.920 1.00 12.32 N ATOM 0 H HIS D 33 17.086 -6.574 29.366 1.00 6.65 H new ATOM 0 HA HIS D 33 14.836 -7.846 29.392 1.00 7.59 H new ATOM 0 HB2 HIS D 33 16.882 -8.565 28.270 1.00 9.49 H new ATOM 0 HB3 HIS D 33 17.322 -9.175 29.636 1.00 9.49 H new ATOM 0 HD2 HIS D 33 15.026 -10.089 26.880 1.00 11.76 H new ATOM 0 HE1 HIS D 33 14.654 -12.991 29.546 1.00 11.92 H new ATOM 0 HE2 HIS D 33 14.060 -12.257 27.377 1.00 12.32 H new ATOM 2724 N GLY D 34 14.272 -8.884 31.561 1.00 6.51 N ATOM 2725 CA GLY D 34 13.956 -9.348 32.905 1.00 6.59 C ATOM 2726 C GLY D 34 13.487 -8.246 33.844 1.00 9.09 C ATOM 2727 O GLY D 34 13.169 -8.498 35.007 1.00 7.44 O ATOM 0 H GLY D 34 13.631 -8.964 30.993 1.00 6.51 H new ATOM 0 HA2 GLY D 34 13.267 -10.028 32.849 1.00 6.59 H new ATOM 0 HA3 GLY D 34 14.742 -9.771 33.285 1.00 6.59 H new ATOM 2728 N LEU D 35 13.434 -7.022 33.321 1.00 8.33 N ATOM 2729 CA LEU D 35 13.032 -5.837 34.076 1.00 7.84 C ATOM 2730 C LEU D 35 11.901 -5.998 35.101 1.00 7.55 C ATOM 2731 O LEU D 35 12.053 -5.606 36.260 1.00 5.93 O ATOM 2732 CB LEU D 35 12.667 -4.718 33.096 1.00 7.17 C ATOM 2733 CG LEU D 35 12.351 -3.353 33.705 1.00 7.50 C ATOM 2734 CD1 LEU D 35 13.538 -2.844 34.516 1.00 6.21 C ATOM 2735 CD2 LEU D 35 12.011 -2.383 32.579 1.00 9.13 C ATOM 0 H LEU D 35 13.635 -6.854 32.502 1.00 8.33 H new ATOM 0 HA LEU D 35 13.809 -5.631 34.619 1.00 7.84 H new ATOM 0 HB2 LEU D 35 13.402 -4.609 32.472 1.00 7.17 H new ATOM 0 HB3 LEU D 35 11.898 -5.006 32.580 1.00 7.17 H new ATOM 0 HG LEU D 35 11.594 -3.429 34.306 1.00 7.50 H new ATOM 0 HD11 LEU D 35 13.323 -1.978 34.896 1.00 6.21 H new ATOM 0 HD12 LEU D 35 13.734 -3.470 35.230 1.00 6.21 H new ATOM 0 HD13 LEU D 35 14.313 -2.760 33.938 1.00 6.21 H new ATOM 0 HD21 LEU D 35 11.808 -1.511 32.953 1.00 9.13 H new ATOM 0 HD22 LEU D 35 12.768 -2.308 31.977 1.00 9.13 H new ATOM 0 HD23 LEU D 35 11.241 -2.712 32.090 1.00 9.13 H new ATOM 2736 N PHE D 36 10.773 -6.559 34.675 1.00 7.04 N ATOM 2737 CA PHE D 36 9.630 -6.743 35.566 1.00 8.96 C ATOM 2738 C PHE D 36 9.930 -7.671 36.742 1.00 9.22 C ATOM 2739 O PHE D 36 10.229 -8.850 36.562 1.00 8.03 O ATOM 2740 CB PHE D 36 8.419 -7.278 34.782 1.00 10.40 C ATOM 2741 CG PHE D 36 7.861 -6.297 33.798 1.00 9.20 C ATOM 2742 CD1 PHE D 36 8.617 -5.876 32.711 1.00 10.34 C ATOM 2743 CD2 PHE D 36 6.602 -5.744 33.994 1.00 11.40 C ATOM 2744 CE1 PHE D 36 8.128 -4.908 31.835 1.00 12.40 C ATOM 2745 CE2 PHE D 36 6.104 -4.777 33.127 1.00 11.68 C ATOM 2746 CZ PHE D 36 6.869 -4.356 32.045 1.00 11.80 C ATOM 0 H PHE D 36 10.648 -6.841 33.872 1.00 7.04 H new ATOM 0 HA PHE D 36 9.428 -5.869 35.935 1.00 8.96 H new ATOM 0 HB2 PHE D 36 8.679 -8.085 34.311 1.00 10.40 H new ATOM 0 HB3 PHE D 36 7.722 -7.528 35.409 1.00 10.40 H new ATOM 0 HD1 PHE D 36 9.459 -6.244 32.566 1.00 10.34 H new ATOM 0 HD2 PHE D 36 6.085 -6.024 34.715 1.00 11.40 H new ATOM 0 HE1 PHE D 36 8.643 -4.632 31.111 1.00 12.40 H new ATOM 0 HE2 PHE D 36 5.261 -4.413 33.271 1.00 11.68 H new ATOM 0 HZ PHE D 36 6.540 -3.708 31.464 1.00 11.80 H new ATOM 2747 N GLY D 37 9.845 -7.119 37.948 1.00 11.50 N ATOM 2748 CA GLY D 37 10.103 -7.898 39.142 1.00 11.91 C ATOM 2749 C GLY D 37 11.469 -7.612 39.726 1.00 11.84 C ATOM 2750 O GLY D 37 11.831 -8.163 40.758 1.00 12.23 O ATOM 0 H GLY D 37 9.640 -6.296 38.092 1.00 11.50 H new ATOM 0 HA2 GLY D 37 9.422 -7.705 39.806 1.00 11.91 H new ATOM 0 HA3 GLY D 37 10.034 -8.842 38.931 1.00 11.91 H new ATOM 2751 N ARG D 38 12.238 -6.751 39.072 1.00 13.47 N ATOM 2752 CA ARG D 38 13.565 -6.426 39.577 1.00 15.08 C ATOM 2753 C ARG D 38 13.666 -5.016 40.141 1.00 16.77 C ATOM 2754 O ARG D 38 13.074 -4.073 39.614 1.00 15.97 O ATOM 2755 CB ARG D 38 14.612 -6.629 38.480 1.00 18.00 C ATOM 2756 CG ARG D 38 15.697 -7.625 38.883 1.00 23.19 C ATOM 2757 CD ARG D 38 16.008 -8.627 37.788 1.00 24.88 C ATOM 2758 NE ARG D 38 16.629 -7.999 36.632 1.00 29.80 N ATOM 2759 CZ ARG D 38 16.932 -8.638 35.508 1.00 30.18 C ATOM 2760 NH1 ARG D 38 16.669 -9.933 35.385 1.00 31.80 N ATOM 2761 NH2 ARG D 38 17.501 -7.980 34.509 1.00 32.43 N ATOM 0 H ARG D 38 12.015 -6.349 38.345 1.00 13.47 H new ATOM 0 HA ARG D 38 13.736 -7.033 40.314 1.00 15.08 H new ATOM 0 HB2 ARG D 38 14.174 -6.942 37.673 1.00 18.00 H new ATOM 0 HB3 ARG D 38 15.023 -5.776 38.268 1.00 18.00 H new ATOM 0 HG2 ARG D 38 16.506 -7.141 39.113 1.00 23.19 H new ATOM 0 HG3 ARG D 38 15.415 -8.100 39.680 1.00 23.19 H new ATOM 0 HD2 ARG D 38 16.598 -9.313 38.137 1.00 24.88 H new ATOM 0 HD3 ARG D 38 15.189 -9.069 37.514 1.00 24.88 H new ATOM 0 HE ARG D 38 16.812 -7.160 36.680 1.00 29.80 H new ATOM 0 HH11 ARG D 38 16.301 -10.361 36.034 1.00 31.80 H new ATOM 0 HH12 ARG D 38 16.866 -10.344 34.656 1.00 31.80 H new ATOM 0 HH21 ARG D 38 17.673 -7.141 34.589 1.00 32.43 H new ATOM 0 HH22 ARG D 38 17.698 -8.392 33.780 1.00 32.43 H new ATOM 2762 N LYS D 39 14.412 -4.883 41.232 1.00 18.40 N ATOM 2763 CA LYS D 39 14.607 -3.594 41.871 1.00 20.33 C ATOM 2764 C LYS D 39 15.389 -2.662 40.961 1.00 20.20 C ATOM 2765 O LYS D 39 16.043 -3.102 40.016 1.00 19.23 O ATOM 2766 CB LYS D 39 15.366 -3.758 43.190 1.00 21.02 C ATOM 2767 CG LYS D 39 14.504 -4.220 44.343 1.00 27.57 C ATOM 2768 CD LYS D 39 13.402 -3.209 44.624 1.00 29.44 C ATOM 2769 CE LYS D 39 12.532 -3.639 45.791 1.00 32.66 C ATOM 2770 NZ LYS D 39 11.376 -2.715 45.982 1.00 31.97 N ATOM 0 H LYS D 39 14.817 -5.536 41.619 1.00 18.40 H new ATOM 0 HA LYS D 39 13.733 -3.213 42.048 1.00 20.33 H new ATOM 0 HB2 LYS D 39 16.086 -4.395 43.061 1.00 21.02 H new ATOM 0 HB3 LYS D 39 15.776 -2.911 43.424 1.00 21.02 H new ATOM 0 HG2 LYS D 39 14.113 -5.083 44.136 1.00 27.57 H new ATOM 0 HG3 LYS D 39 15.051 -4.339 45.135 1.00 27.57 H new ATOM 0 HD2 LYS D 39 13.797 -2.344 44.816 1.00 29.44 H new ATOM 0 HD3 LYS D 39 12.852 -3.101 43.832 1.00 29.44 H new ATOM 0 HE2 LYS D 39 12.206 -4.540 45.638 1.00 32.66 H new ATOM 0 HE3 LYS D 39 13.065 -3.664 46.601 1.00 32.66 H new ATOM 0 HZ1 LYS D 39 10.987 -2.883 46.765 1.00 31.97 H new ATOM 0 HZ2 LYS D 39 11.664 -1.873 45.969 1.00 31.97 H new ATOM 0 HZ3 LYS D 39 10.787 -2.837 45.326 1.00 31.97 H new ATOM 2771 N THR D 40 15.318 -1.370 41.254 1.00 19.89 N ATOM 2772 CA THR D 40 16.036 -0.381 40.472 1.00 21.18 C ATOM 2773 C THR D 40 17.535 -0.596 40.637 1.00 21.95 C ATOM 2774 O THR D 40 18.003 -0.996 41.707 1.00 21.86 O ATOM 2775 CB THR D 40 15.721 1.052 40.941 1.00 21.12 C ATOM 2776 OG1 THR D 40 15.996 1.158 42.343 1.00 21.37 O ATOM 2777 CG2 THR D 40 14.267 1.401 40.681 1.00 20.62 C ATOM 0 H THR D 40 14.857 -1.047 41.904 1.00 19.89 H new ATOM 0 HA THR D 40 15.760 -0.485 39.548 1.00 21.18 H new ATOM 0 HB THR D 40 16.277 1.672 40.443 1.00 21.12 H new ATOM 0 HG1 THR D 40 16.645 1.678 42.463 1.00 21.37 H new ATOM 0 HG21 THR D 40 14.092 2.306 40.984 1.00 20.62 H new ATOM 0 HG22 THR D 40 14.084 1.337 39.731 1.00 20.62 H new ATOM 0 HG23 THR D 40 13.695 0.783 41.162 1.00 20.62 H new ATOM 2778 N GLY D 41 18.275 -0.340 39.565 1.00 20.86 N ATOM 2779 CA GLY D 41 19.719 -0.462 39.604 1.00 20.72 C ATOM 2780 C GLY D 41 20.346 -1.801 39.936 1.00 20.60 C ATOM 2781 O GLY D 41 21.441 -1.838 40.495 1.00 20.32 O ATOM 0 H GLY D 41 17.956 -0.094 38.805 1.00 20.86 H new ATOM 0 HA2 GLY D 41 20.057 -0.190 38.737 1.00 20.72 H new ATOM 0 HA3 GLY D 41 20.048 0.181 40.251 1.00 20.72 H new ATOM 2782 N GLN D 42 19.688 -2.899 39.587 1.00 19.07 N ATOM 2783 CA GLN D 42 20.244 -4.213 39.879 1.00 18.47 C ATOM 2784 C GLN D 42 20.857 -4.895 38.657 1.00 19.20 C ATOM 2785 O GLN D 42 21.192 -6.078 38.715 1.00 20.28 O ATOM 2786 CB GLN D 42 19.169 -5.123 40.472 1.00 18.05 C ATOM 2787 CG GLN D 42 18.549 -4.595 41.746 1.00 18.24 C ATOM 2788 CD GLN D 42 19.592 -4.173 42.746 1.00 18.73 C ATOM 2789 OE1 GLN D 42 20.527 -4.922 43.033 1.00 21.37 O ATOM 2790 NE2 GLN D 42 19.444 -2.971 43.286 1.00 18.46 N ATOM 0 H GLN D 42 18.928 -2.906 39.185 1.00 19.07 H new ATOM 0 HA GLN D 42 20.959 -4.067 40.519 1.00 18.47 H new ATOM 0 HB2 GLN D 42 18.469 -5.253 39.813 1.00 18.05 H new ATOM 0 HB3 GLN D 42 19.558 -5.994 40.649 1.00 18.05 H new ATOM 0 HG2 GLN D 42 17.977 -3.840 41.538 1.00 18.24 H new ATOM 0 HG3 GLN D 42 17.984 -5.279 42.138 1.00 18.24 H new ATOM 0 HE21 GLN D 42 18.777 -2.477 43.060 1.00 18.46 H new ATOM 0 HE22 GLN D 42 20.015 -2.685 43.862 1.00 18.46 H new ATOM 2791 N ALA D 43 21.009 -4.164 37.555 1.00 18.76 N ATOM 2792 CA ALA D 43 21.589 -4.755 36.349 1.00 19.92 C ATOM 2793 C ALA D 43 23.093 -4.952 36.499 1.00 20.62 C ATOM 2794 O ALA D 43 23.857 -3.991 36.543 1.00 21.03 O ATOM 2795 CB ALA D 43 21.298 -3.886 35.136 1.00 18.85 C ATOM 0 H ALA D 43 20.787 -3.336 37.484 1.00 18.76 H new ATOM 0 HA ALA D 43 21.179 -5.625 36.221 1.00 19.92 H new ATOM 0 HB1 ALA D 43 21.689 -4.291 34.346 1.00 18.85 H new ATOM 0 HB2 ALA D 43 20.339 -3.807 35.017 1.00 18.85 H new ATOM 0 HB3 ALA D 43 21.681 -3.005 35.270 1.00 18.85 H new ATOM 2796 N PRO D 44 23.536 -6.211 36.574 1.00 21.78 N ATOM 2797 CA PRO D 44 24.958 -6.534 36.720 1.00 21.84 C ATOM 2798 C PRO D 44 25.812 -5.911 35.619 1.00 21.58 C ATOM 2799 O PRO D 44 25.450 -5.963 34.445 1.00 21.96 O ATOM 2800 CB PRO D 44 24.976 -8.061 36.650 1.00 22.71 C ATOM 2801 CG PRO D 44 23.624 -8.449 37.169 1.00 23.86 C ATOM 2802 CD PRO D 44 22.720 -7.436 36.513 1.00 22.35 C ATOM 0 HA PRO D 44 25.336 -6.183 37.541 1.00 21.84 H new ATOM 0 HB2 PRO D 44 25.115 -8.376 35.743 1.00 22.71 H new ATOM 0 HB3 PRO D 44 25.688 -8.435 37.192 1.00 22.71 H new ATOM 0 HG2 PRO D 44 23.389 -9.357 36.921 1.00 23.86 H new ATOM 0 HG3 PRO D 44 23.581 -8.399 38.137 1.00 23.86 H new ATOM 0 HD2 PRO D 44 22.502 -7.682 35.600 1.00 22.35 H new ATOM 0 HD3 PRO D 44 21.880 -7.337 36.989 1.00 22.35 H new ATOM 2803 N GLY D 45 26.943 -5.328 36.007 1.00 21.03 N ATOM 2804 CA GLY D 45 27.848 -4.729 35.043 1.00 20.91 C ATOM 2805 C GLY D 45 27.512 -3.334 34.542 1.00 20.51 C ATOM 2806 O GLY D 45 28.099 -2.875 33.565 1.00 21.31 O ATOM 0 H GLY D 45 27.201 -5.271 36.825 1.00 21.03 H new ATOM 0 HA2 GLY D 45 28.733 -4.700 35.440 1.00 20.91 H new ATOM 0 HA3 GLY D 45 27.901 -5.319 34.275 1.00 20.91 H new ATOM 2807 N PHE D 46 26.578 -2.654 35.197 1.00 20.38 N ATOM 2808 CA PHE D 46 26.203 -1.304 34.784 1.00 19.95 C ATOM 2809 C PHE D 46 26.384 -0.321 35.936 1.00 19.50 C ATOM 2810 O PHE D 46 26.062 -0.628 37.082 1.00 19.33 O ATOM 2811 CB PHE D 46 24.746 -1.275 34.302 1.00 20.03 C ATOM 2812 CG PHE D 46 24.296 0.080 33.827 1.00 20.00 C ATOM 2813 CD1 PHE D 46 24.751 0.593 32.621 1.00 17.91 C ATOM 2814 CD2 PHE D 46 23.454 0.863 34.612 1.00 19.25 C ATOM 2815 CE1 PHE D 46 24.380 1.864 32.202 1.00 18.63 C ATOM 2816 CE2 PHE D 46 23.078 2.140 34.199 1.00 19.85 C ATOM 2817 CZ PHE D 46 23.542 2.639 32.994 1.00 19.00 C ATOM 0 H PHE D 46 26.150 -2.953 35.880 1.00 20.38 H new ATOM 0 HA PHE D 46 26.783 -1.040 34.052 1.00 19.95 H new ATOM 0 HB2 PHE D 46 24.639 -1.914 33.580 1.00 20.03 H new ATOM 0 HB3 PHE D 46 24.168 -1.564 35.025 1.00 20.03 H new ATOM 0 HD1 PHE D 46 25.312 0.079 32.086 1.00 17.91 H new ATOM 0 HD2 PHE D 46 23.139 0.530 35.421 1.00 19.25 H new ATOM 0 HE1 PHE D 46 24.692 2.196 31.392 1.00 18.63 H new ATOM 0 HE2 PHE D 46 22.517 2.656 34.732 1.00 19.85 H new ATOM 0 HZ PHE D 46 23.293 3.491 32.715 1.00 19.00 H new ATOM 2818 N THR D 47 26.898 0.866 35.630 1.00 20.24 N ATOM 2819 CA THR D 47 27.116 1.868 36.663 1.00 19.43 C ATOM 2820 C THR D 47 25.970 2.858 36.755 1.00 19.39 C ATOM 2821 O THR D 47 25.832 3.752 35.917 1.00 17.93 O ATOM 2822 CB THR D 47 28.419 2.655 36.431 1.00 20.41 C ATOM 2823 OG1 THR D 47 29.533 1.758 36.502 1.00 21.56 O ATOM 2824 CG2 THR D 47 28.586 3.735 37.504 1.00 19.74 C ATOM 0 H THR D 47 27.125 1.108 34.837 1.00 20.24 H new ATOM 0 HA THR D 47 27.177 1.373 37.495 1.00 19.43 H new ATOM 0 HB THR D 47 28.379 3.074 35.557 1.00 20.41 H new ATOM 0 HG1 THR D 47 30.245 2.185 36.374 1.00 21.56 H new ATOM 0 HG21 THR D 47 29.409 4.223 37.347 1.00 19.74 H new ATOM 0 HG22 THR D 47 27.835 4.348 37.466 1.00 19.74 H new ATOM 0 HG23 THR D 47 28.619 3.319 38.380 1.00 19.74 H new ATOM 2825 N TYR D 48 25.149 2.684 37.784 1.00 17.68 N ATOM 2826 CA TYR D 48 24.007 3.557 38.013 1.00 16.86 C ATOM 2827 C TYR D 48 24.421 4.727 38.896 1.00 16.18 C ATOM 2828 O TYR D 48 25.462 4.693 39.553 1.00 16.19 O ATOM 2829 CB TYR D 48 22.900 2.805 38.751 1.00 17.15 C ATOM 2830 CG TYR D 48 22.260 1.677 37.995 1.00 18.48 C ATOM 2831 CD1 TYR D 48 21.173 1.907 37.156 1.00 17.87 C ATOM 2832 CD2 TYR D 48 22.716 0.365 38.148 1.00 17.82 C ATOM 2833 CE1 TYR D 48 20.545 0.858 36.494 1.00 19.88 C ATOM 2834 CE2 TYR D 48 22.101 -0.689 37.487 1.00 19.22 C ATOM 2835 CZ TYR D 48 21.014 -0.438 36.665 1.00 19.53 C ATOM 2836 OH TYR D 48 20.379 -1.482 36.035 1.00 20.47 O ATOM 0 H TYR D 48 25.238 2.058 38.367 1.00 17.68 H new ATOM 0 HA TYR D 48 23.690 3.866 37.150 1.00 16.86 H new ATOM 0 HB2 TYR D 48 23.267 2.452 39.576 1.00 17.15 H new ATOM 0 HB3 TYR D 48 22.209 3.440 38.997 1.00 17.15 H new ATOM 0 HD1 TYR D 48 20.862 2.775 37.037 1.00 17.87 H new ATOM 0 HD2 TYR D 48 23.444 0.195 38.702 1.00 17.82 H new ATOM 0 HE1 TYR D 48 19.816 1.023 35.941 1.00 19.88 H new ATOM 0 HE2 TYR D 48 22.416 -1.557 37.595 1.00 19.22 H new ATOM 0 HH TYR D 48 19.558 -1.459 36.212 1.00 20.47 H new ATOM 2837 N THR D 49 23.594 5.763 38.910 1.00 13.81 N ATOM 2838 CA THR D 49 23.845 6.900 39.774 1.00 12.62 C ATOM 2839 C THR D 49 23.406 6.344 41.122 1.00 12.70 C ATOM 2840 O THR D 49 22.720 5.324 41.169 1.00 13.30 O ATOM 2841 CB THR D 49 22.923 8.067 39.438 1.00 12.20 C ATOM 2842 OG1 THR D 49 21.562 7.647 39.608 1.00 7.60 O ATOM 2843 CG2 THR D 49 23.142 8.530 37.995 1.00 11.39 C ATOM 0 H THR D 49 22.885 5.825 38.428 1.00 13.81 H new ATOM 0 HA THR D 49 24.756 7.228 39.715 1.00 12.62 H new ATOM 0 HB THR D 49 23.120 8.809 40.031 1.00 12.20 H new ATOM 0 HG1 THR D 49 21.208 7.532 38.855 1.00 7.60 H new ATOM 0 HG21 THR D 49 22.548 9.272 37.799 1.00 11.39 H new ATOM 0 HG22 THR D 49 24.062 8.815 37.883 1.00 11.39 H new ATOM 0 HG23 THR D 49 22.954 7.797 37.388 1.00 11.39 H new ATOM 2844 N ASP D 50 23.792 6.993 42.213 1.00 12.94 N ATOM 2845 CA ASP D 50 23.378 6.526 43.531 1.00 12.38 C ATOM 2846 C ASP D 50 21.862 6.565 43.594 1.00 11.63 C ATOM 2847 O ASP D 50 21.219 5.687 44.177 1.00 11.44 O ATOM 2848 CB ASP D 50 23.952 7.425 44.627 1.00 13.95 C ATOM 2849 CG ASP D 50 25.430 7.213 44.828 1.00 16.51 C ATOM 2850 OD1 ASP D 50 25.837 6.053 45.064 1.00 17.57 O ATOM 2851 OD2 ASP D 50 26.182 8.202 44.753 1.00 19.36 O ATOM 0 H ASP D 50 24.287 7.696 42.214 1.00 12.94 H new ATOM 0 HA ASP D 50 23.706 5.624 43.672 1.00 12.38 H new ATOM 0 HB2 ASP D 50 23.789 8.354 44.399 1.00 13.95 H new ATOM 0 HB3 ASP D 50 23.487 7.252 45.460 1.00 13.95 H new ATOM 2852 N ALA D 51 21.301 7.588 42.965 1.00 11.57 N ATOM 2853 CA ALA D 51 19.860 7.783 42.933 1.00 12.22 C ATOM 2854 C ALA D 51 19.125 6.549 42.418 1.00 11.28 C ATOM 2855 O ALA D 51 18.224 6.037 43.079 1.00 11.53 O ATOM 2856 CB ALA D 51 19.520 8.999 42.065 1.00 10.94 C ATOM 0 H ALA D 51 21.747 8.191 42.543 1.00 11.57 H new ATOM 0 HA ALA D 51 19.564 7.937 43.844 1.00 12.22 H new ATOM 0 HB1 ALA D 51 18.558 9.125 42.047 1.00 10.94 H new ATOM 0 HB2 ALA D 51 19.942 9.790 42.436 1.00 10.94 H new ATOM 0 HB3 ALA D 51 19.844 8.853 41.162 1.00 10.94 H new ATOM 2857 N ASN D 52 19.505 6.077 41.236 1.00 11.36 N ATOM 2858 CA ASN D 52 18.847 4.912 40.653 1.00 14.37 C ATOM 2859 C ASN D 52 19.232 3.665 41.446 1.00 13.88 C ATOM 2860 O ASN D 52 18.400 2.783 41.662 1.00 15.97 O ATOM 2861 CB ASN D 52 19.234 4.771 39.170 1.00 13.63 C ATOM 2862 CG ASN D 52 18.352 3.777 38.405 1.00 15.24 C ATOM 2863 OD1 ASN D 52 18.143 3.929 37.200 1.00 15.76 O ATOM 2864 ND2 ASN D 52 17.856 2.754 39.091 1.00 12.74 N ATOM 0 H ASN D 52 20.136 6.413 40.758 1.00 11.36 H new ATOM 0 HA ASN D 52 17.884 5.023 40.698 1.00 14.37 H new ATOM 0 HB2 ASN D 52 19.176 5.640 38.743 1.00 13.63 H new ATOM 0 HB3 ASN D 52 20.159 4.486 39.109 1.00 13.63 H new ATOM 0 HD21 ASN D 52 17.369 2.166 38.695 1.00 12.74 H new ATOM 0 HD22 ASN D 52 18.022 2.679 39.931 1.00 12.74 H new ATOM 2865 N LYS D 53 20.481 3.603 41.898 1.00 12.57 N ATOM 2866 CA LYS D 53 20.938 2.448 42.670 1.00 13.80 C ATOM 2867 C LYS D 53 20.172 2.301 43.972 1.00 15.07 C ATOM 2868 O LYS D 53 19.917 1.183 44.417 1.00 17.48 O ATOM 2869 CB LYS D 53 22.430 2.561 43.000 0.50 13.47 C ATOM 2870 CG LYS D 53 23.367 1.960 41.967 0.50 12.59 C ATOM 2871 CD LYS D 53 24.826 2.222 42.330 0.50 12.03 C ATOM 2872 CE LYS D 53 25.144 3.715 42.327 0.50 12.29 C ATOM 2873 NZ LYS D 53 26.599 4.002 42.496 0.50 10.74 N ATOM 0 H LYS D 53 21.075 4.212 41.771 1.00 12.57 H new ATOM 0 HA LYS D 53 20.779 1.668 42.115 1.00 13.80 H new ATOM 0 HB2 LYS D 53 22.652 3.499 43.111 0.50 13.47 H new ATOM 0 HB3 LYS D 53 22.592 2.129 43.853 0.50 13.47 H new ATOM 0 HG2 LYS D 53 23.213 1.004 41.904 0.50 12.59 H new ATOM 0 HG3 LYS D 53 23.175 2.337 41.094 0.50 12.59 H new ATOM 0 HD2 LYS D 53 25.014 1.852 43.207 0.50 12.03 H new ATOM 0 HD3 LYS D 53 25.405 1.766 41.699 0.50 12.03 H new ATOM 0 HE2 LYS D 53 24.837 4.104 41.493 0.50 12.29 H new ATOM 0 HE3 LYS D 53 24.649 4.147 43.041 0.50 12.29 H new ATOM 0 HZ1 LYS D 53 26.731 4.882 42.488 0.50 10.74 H new ATOM 0 HZ2 LYS D 53 26.880 3.668 43.272 0.50 10.74 H new ATOM 0 HZ3 LYS D 53 27.055 3.628 41.830 0.50 10.74 H new ATOM 2874 N ASN D 54 19.790 3.429 44.568 1.00 15.27 N ATOM 2875 CA ASN D 54 19.094 3.422 45.852 1.00 14.82 C ATOM 2876 C ASN D 54 17.590 3.705 45.852 1.00 14.86 C ATOM 2877 O ASN D 54 16.993 3.807 46.924 1.00 14.49 O ATOM 2878 CB ASN D 54 19.776 4.421 46.796 1.00 15.65 C ATOM 2879 CG ASN D 54 21.248 4.113 47.012 1.00 18.68 C ATOM 2880 OD1 ASN D 54 22.100 4.999 46.919 1.00 19.97 O ATOM 2881 ND2 ASN D 54 21.553 2.854 47.309 1.00 17.31 N ATOM 0 H ASN D 54 19.926 4.213 44.242 1.00 15.27 H new ATOM 0 HA ASN D 54 19.162 2.499 46.142 1.00 14.82 H new ATOM 0 HB2 ASN D 54 19.687 5.316 46.433 1.00 15.65 H new ATOM 0 HB3 ASN D 54 19.319 4.415 47.652 1.00 15.65 H new ATOM 0 HD21 ASN D 54 22.372 2.631 47.445 1.00 17.31 H new ATOM 0 HD22 ASN D 54 20.931 2.263 47.365 1.00 17.31 H new ATOM 2882 N LYS D 55 16.966 3.839 44.685 1.00 13.21 N ATOM 2883 CA LYS D 55 15.533 4.131 44.665 1.00 13.36 C ATOM 2884 C LYS D 55 14.749 3.133 45.513 1.00 14.95 C ATOM 2885 O LYS D 55 13.785 3.502 46.188 1.00 15.15 O ATOM 2886 CB LYS D 55 15.001 4.142 43.231 1.00 12.60 C ATOM 2887 CG LYS D 55 13.494 4.336 43.128 1.00 12.85 C ATOM 2888 CD LYS D 55 13.009 5.627 43.795 1.00 8.74 C ATOM 2889 CE LYS D 55 11.487 5.701 43.738 1.00 6.35 C ATOM 2890 NZ LYS D 55 10.920 6.982 44.236 1.00 5.34 N ATOM 0 H LYS D 55 17.340 3.767 43.914 1.00 13.21 H new ATOM 0 HA LYS D 55 15.410 5.013 45.049 1.00 13.36 H new ATOM 0 HB2 LYS D 55 15.443 4.851 42.738 1.00 12.60 H new ATOM 0 HB3 LYS D 55 15.240 3.306 42.801 1.00 12.60 H new ATOM 0 HG2 LYS D 55 13.237 4.345 42.193 1.00 12.85 H new ATOM 0 HG3 LYS D 55 13.047 3.579 43.537 1.00 12.85 H new ATOM 0 HD2 LYS D 55 13.308 5.656 44.717 1.00 8.74 H new ATOM 0 HD3 LYS D 55 13.395 6.396 43.348 1.00 8.74 H new ATOM 0 HE2 LYS D 55 11.201 5.567 42.821 1.00 6.35 H new ATOM 0 HE3 LYS D 55 11.118 4.971 44.260 1.00 6.35 H new ATOM 0 HZ1 LYS D 55 10.053 6.876 44.408 1.00 5.34 H new ATOM 0 HZ2 LYS D 55 11.343 7.224 44.981 1.00 5.34 H new ATOM 0 HZ3 LYS D 55 11.024 7.613 43.617 1.00 5.34 H new ATOM 2891 N GLY D 56 15.165 1.869 45.471 1.00 15.67 N ATOM 2892 CA GLY D 56 14.522 0.831 46.264 1.00 14.21 C ATOM 2893 C GLY D 56 13.072 0.481 45.966 1.00 14.99 C ATOM 2894 O GLY D 56 12.302 0.182 46.884 1.00 13.99 O ATOM 0 H GLY D 56 15.820 1.594 44.987 1.00 15.67 H new ATOM 0 HA2 GLY D 56 15.046 0.020 46.169 1.00 14.21 H new ATOM 0 HA3 GLY D 56 14.576 1.096 47.196 1.00 14.21 H new ATOM 2895 N ILE D 57 12.679 0.518 44.698 1.00 13.45 N ATOM 2896 CA ILE D 57 11.304 0.172 44.345 1.00 12.69 C ATOM 2897 C ILE D 57 11.304 -0.984 43.359 1.00 13.74 C ATOM 2898 O ILE D 57 12.337 -1.298 42.764 1.00 15.04 O ATOM 2899 CB ILE D 57 10.543 1.385 43.752 1.00 11.79 C ATOM 2900 CG1 ILE D 57 11.283 1.961 42.540 1.00 9.89 C ATOM 2901 CG2 ILE D 57 10.382 2.443 44.814 1.00 9.63 C ATOM 2902 CD1 ILE D 57 11.012 1.235 41.248 1.00 9.73 C ATOM 0 H ILE D 57 13.182 0.737 44.036 1.00 13.45 H new ATOM 0 HA ILE D 57 10.842 -0.093 45.156 1.00 12.69 H new ATOM 0 HB ILE D 57 9.669 1.088 43.454 1.00 11.79 H new ATOM 0 HG12 ILE D 57 11.034 2.892 42.434 1.00 9.89 H new ATOM 0 HG13 ILE D 57 12.237 1.941 42.717 1.00 9.89 H new ATOM 0 HG21 ILE D 57 9.906 3.203 44.444 1.00 9.63 H new ATOM 0 HG22 ILE D 57 9.880 2.079 45.560 1.00 9.63 H new ATOM 0 HG23 ILE D 57 11.256 2.728 45.122 1.00 9.63 H new ATOM 0 HD11 ILE D 57 11.512 1.654 40.530 1.00 9.73 H new ATOM 0 HD12 ILE D 57 11.285 0.308 41.334 1.00 9.73 H new ATOM 0 HD13 ILE D 57 10.064 1.275 41.047 1.00 9.73 H new ATOM 2903 N THR D 58 10.158 -1.631 43.187 1.00 13.55 N ATOM 2904 CA THR D 58 10.101 -2.757 42.271 1.00 14.39 C ATOM 2905 C THR D 58 9.455 -2.425 40.943 1.00 13.55 C ATOM 2906 O THR D 58 8.292 -2.034 40.881 1.00 13.24 O ATOM 2907 CB THR D 58 9.365 -3.963 42.884 1.00 14.19 C ATOM 2908 OG1 THR D 58 10.102 -4.451 44.011 1.00 14.20 O ATOM 2909 CG2 THR D 58 9.249 -5.073 41.862 1.00 14.22 C ATOM 0 H THR D 58 9.419 -1.439 43.582 1.00 13.55 H new ATOM 0 HA THR D 58 11.030 -2.984 42.109 1.00 14.39 H new ATOM 0 HB THR D 58 8.479 -3.681 43.161 1.00 14.19 H new ATOM 0 HG1 THR D 58 9.700 -5.108 44.346 1.00 14.20 H new ATOM 0 HG21 THR D 58 8.785 -5.828 42.256 1.00 14.22 H new ATOM 0 HG22 THR D 58 8.752 -4.754 41.092 1.00 14.22 H new ATOM 0 HG23 THR D 58 10.136 -5.349 41.582 1.00 14.22 H new ATOM 2910 N TRP D 59 10.233 -2.588 39.880 1.00 14.07 N ATOM 2911 CA TRP D 59 9.745 -2.324 38.542 1.00 13.95 C ATOM 2912 C TRP D 59 8.616 -3.278 38.218 1.00 14.42 C ATOM 2913 O TRP D 59 8.765 -4.501 38.285 1.00 15.89 O ATOM 2914 CB TRP D 59 10.870 -2.483 37.520 1.00 12.91 C ATOM 2915 CG TRP D 59 11.865 -1.381 37.583 1.00 11.44 C ATOM 2916 CD1 TRP D 59 13.216 -1.504 37.712 1.00 9.08 C ATOM 2917 CD2 TRP D 59 11.591 0.021 37.506 1.00 10.03 C ATOM 2918 NE1 TRP D 59 13.803 -0.265 37.718 1.00 12.38 N ATOM 2919 CE2 TRP D 59 12.830 0.691 37.593 1.00 10.51 C ATOM 2920 CE3 TRP D 59 10.418 0.777 37.370 1.00 11.00 C ATOM 2921 CZ2 TRP D 59 12.934 2.087 37.550 1.00 11.98 C ATOM 2922 CZ3 TRP D 59 10.520 2.172 37.327 1.00 12.55 C ATOM 2923 CH2 TRP D 59 11.772 2.809 37.417 1.00 10.58 C ATOM 0 H TRP D 59 11.051 -2.852 39.917 1.00 14.07 H new ATOM 0 HA TRP D 59 9.419 -1.411 38.501 1.00 13.95 H new ATOM 0 HB2 TRP D 59 11.320 -3.329 37.670 1.00 12.91 H new ATOM 0 HB3 TRP D 59 10.489 -2.519 36.629 1.00 12.91 H new ATOM 0 HD1 TRP D 59 13.673 -2.311 37.785 1.00 9.08 H new ATOM 0 HE1 TRP D 59 14.646 -0.113 37.789 1.00 12.38 H new ATOM 0 HE3 TRP D 59 9.589 0.360 37.310 1.00 11.00 H new ATOM 0 HZ2 TRP D 59 13.760 2.510 37.609 1.00 11.98 H new ATOM 0 HZ3 TRP D 59 9.750 2.685 37.238 1.00 12.55 H new ATOM 0 HH2 TRP D 59 11.814 3.738 37.386 1.00 10.58 H new ATOM 2924 N LYS D 60 7.481 -2.689 37.878 1.00 14.47 N ATOM 2925 CA LYS D 60 6.276 -3.410 37.522 1.00 14.31 C ATOM 2926 C LYS D 60 5.481 -2.364 36.759 1.00 13.73 C ATOM 2927 O LYS D 60 5.912 -1.212 36.673 1.00 14.51 O ATOM 2928 CB LYS D 60 5.546 -3.853 38.791 1.00 15.06 C ATOM 2929 CG LYS D 60 5.241 -2.711 39.747 1.00 17.88 C ATOM 2930 CD LYS D 60 5.227 -3.183 41.193 1.00 21.51 C ATOM 2931 CE LYS D 60 4.167 -4.248 41.427 1.00 23.35 C ATOM 2932 NZ LYS D 60 4.169 -4.715 42.848 1.00 27.30 N ATOM 0 H LYS D 60 7.389 -1.834 37.848 1.00 14.47 H new ATOM 0 HA LYS D 60 6.428 -4.217 37.006 1.00 14.31 H new ATOM 0 HB2 LYS D 60 4.715 -4.287 38.542 1.00 15.06 H new ATOM 0 HB3 LYS D 60 6.085 -4.515 39.251 1.00 15.06 H new ATOM 0 HG2 LYS D 60 5.905 -2.012 39.640 1.00 17.88 H new ATOM 0 HG3 LYS D 60 4.381 -2.322 39.524 1.00 17.88 H new ATOM 0 HD2 LYS D 60 6.099 -3.537 41.426 1.00 21.51 H new ATOM 0 HD3 LYS D 60 5.062 -2.428 41.779 1.00 21.51 H new ATOM 0 HE2 LYS D 60 3.293 -3.892 41.203 1.00 23.35 H new ATOM 0 HE3 LYS D 60 4.327 -5.001 40.837 1.00 23.35 H new ATOM 0 HZ1 LYS D 60 3.541 -5.336 42.957 1.00 27.30 H new ATOM 0 HZ2 LYS D 60 4.965 -5.060 43.046 1.00 27.30 H new ATOM 0 HZ3 LYS D 60 4.002 -4.027 43.387 1.00 27.30 H new ATOM 2933 N GLU D 61 4.338 -2.744 36.204 1.00 14.11 N ATOM 2934 CA GLU D 61 3.542 -1.799 35.436 1.00 16.09 C ATOM 2935 C GLU D 61 3.309 -0.482 36.178 1.00 16.07 C ATOM 2936 O GLU D 61 3.634 0.589 35.672 1.00 15.90 O ATOM 2937 CB GLU D 61 2.202 -2.433 35.038 1.00 16.84 C ATOM 2938 CG GLU D 61 2.333 -3.568 34.015 1.00 18.82 C ATOM 2939 CD GLU D 61 2.486 -4.949 34.649 1.00 19.35 C ATOM 2940 OE1 GLU D 61 2.976 -5.045 35.793 1.00 18.29 O ATOM 2941 OE2 GLU D 61 2.124 -5.949 33.989 1.00 20.14 O ATOM 0 H GLU D 61 4.008 -3.536 36.259 1.00 14.11 H new ATOM 0 HA GLU D 61 4.049 -1.585 34.637 1.00 16.09 H new ATOM 0 HB2 GLU D 61 1.767 -2.775 35.834 1.00 16.84 H new ATOM 0 HB3 GLU D 61 1.624 -1.745 34.673 1.00 16.84 H new ATOM 0 HG2 GLU D 61 1.550 -3.569 33.442 1.00 18.82 H new ATOM 0 HG3 GLU D 61 3.100 -3.394 33.447 1.00 18.82 H new ATOM 2942 N GLU D 62 2.777 -0.570 37.390 1.00 16.73 N ATOM 2943 CA GLU D 62 2.485 0.616 38.190 1.00 16.35 C ATOM 2944 C GLU D 62 3.669 1.571 38.353 1.00 14.22 C ATOM 2945 O GLU D 62 3.543 2.766 38.106 1.00 11.48 O ATOM 2946 CB GLU D 62 1.972 0.203 39.571 1.00 19.12 C ATOM 2947 CG GLU D 62 0.801 -0.780 39.545 1.00 23.21 C ATOM 2948 CD GLU D 62 1.243 -2.237 39.516 1.00 24.92 C ATOM 2949 OE1 GLU D 62 1.884 -2.657 38.530 1.00 25.71 O ATOM 2950 OE2 GLU D 62 0.948 -2.965 40.490 1.00 28.41 O ATOM 0 H GLU D 62 2.575 -1.314 37.772 1.00 16.73 H new ATOM 0 HA GLU D 62 1.805 1.104 37.699 1.00 16.35 H new ATOM 0 HB2 GLU D 62 2.703 -0.195 40.069 1.00 19.12 H new ATOM 0 HB3 GLU D 62 1.700 0.999 40.054 1.00 19.12 H new ATOM 0 HG2 GLU D 62 0.245 -0.632 40.326 1.00 23.21 H new ATOM 0 HG3 GLU D 62 0.251 -0.599 38.767 1.00 23.21 H new ATOM 2951 N THR D 63 4.818 1.055 38.772 1.00 13.91 N ATOM 2952 CA THR D 63 5.982 1.916 38.958 1.00 13.77 C ATOM 2953 C THR D 63 6.562 2.431 37.648 1.00 13.64 C ATOM 2954 O THR D 63 7.153 3.510 37.610 1.00 13.39 O ATOM 2955 CB THR D 63 7.086 1.197 39.737 1.00 13.71 C ATOM 2956 OG1 THR D 63 7.412 -0.034 39.081 1.00 14.15 O ATOM 2957 CG2 THR D 63 6.621 0.926 41.162 1.00 14.14 C ATOM 0 H THR D 63 4.946 0.224 38.952 1.00 13.91 H new ATOM 0 HA THR D 63 5.660 2.678 39.464 1.00 13.77 H new ATOM 0 HB THR D 63 7.876 1.758 39.768 1.00 13.71 H new ATOM 0 HG1 THR D 63 7.668 -0.596 39.650 1.00 14.15 H new ATOM 0 HG21 THR D 63 7.324 0.470 41.651 1.00 14.14 H new ATOM 0 HG22 THR D 63 6.415 1.766 41.601 1.00 14.14 H new ATOM 0 HG23 THR D 63 5.827 0.368 41.143 1.00 14.14 H new ATOM 2958 N LEU D 64 6.399 1.658 36.580 1.00 14.36 N ATOM 2959 CA LEU D 64 6.893 2.061 35.270 1.00 13.96 C ATOM 2960 C LEU D 64 6.008 3.172 34.723 1.00 13.99 C ATOM 2961 O LEU D 64 6.499 4.096 34.078 1.00 15.16 O ATOM 2962 CB LEU D 64 6.883 0.877 34.302 1.00 15.02 C ATOM 2963 CG LEU D 64 7.929 -0.224 34.509 1.00 15.76 C ATOM 2964 CD1 LEU D 64 7.538 -1.458 33.714 1.00 16.03 C ATOM 2965 CD2 LEU D 64 9.297 0.282 34.082 1.00 15.78 C ATOM 0 H LEU D 64 6.004 0.894 36.593 1.00 14.36 H new ATOM 0 HA LEU D 64 7.806 2.377 35.362 1.00 13.96 H new ATOM 0 HB2 LEU D 64 6.005 0.466 34.343 1.00 15.02 H new ATOM 0 HB3 LEU D 64 6.991 1.226 33.403 1.00 15.02 H new ATOM 0 HG LEU D 64 7.969 -0.463 35.448 1.00 15.76 H new ATOM 0 HD11 LEU D 64 8.202 -2.153 33.847 1.00 16.03 H new ATOM 0 HD12 LEU D 64 6.673 -1.776 34.015 1.00 16.03 H new ATOM 0 HD13 LEU D 64 7.490 -1.234 32.771 1.00 16.03 H new ATOM 0 HD21 LEU D 64 9.957 -0.417 34.214 1.00 15.78 H new ATOM 0 HD22 LEU D 64 9.272 0.530 33.144 1.00 15.78 H new ATOM 0 HD23 LEU D 64 9.536 1.057 34.614 1.00 15.78 H new ATOM 2966 N MET D 65 4.704 3.075 34.985 1.00 13.16 N ATOM 2967 CA MET D 65 3.748 4.078 34.524 1.00 13.14 C ATOM 2968 C MET D 65 4.068 5.453 35.112 1.00 12.98 C ATOM 2969 O MET D 65 3.972 6.466 34.423 1.00 12.39 O ATOM 2970 CB MET D 65 2.318 3.681 34.915 1.00 13.98 C ATOM 2971 CG MET D 65 1.646 2.652 34.001 1.00 17.75 C ATOM 2972 SD MET D 65 1.256 3.259 32.321 1.00 21.23 S ATOM 2973 CE MET D 65 -0.144 4.337 32.649 1.00 14.75 C ATOM 0 H MET D 65 4.352 2.430 35.432 1.00 13.16 H new ATOM 0 HA MET D 65 3.817 4.125 33.558 1.00 13.14 H new ATOM 0 HB2 MET D 65 2.333 3.327 35.818 1.00 13.98 H new ATOM 0 HB3 MET D 65 1.770 4.481 34.933 1.00 13.98 H new ATOM 0 HG2 MET D 65 2.226 1.878 33.925 1.00 17.75 H new ATOM 0 HG3 MET D 65 0.825 2.352 34.422 1.00 17.75 H new ATOM 0 HE1 MET D 65 -0.885 4.089 32.075 1.00 14.75 H new ATOM 0 HE2 MET D 65 -0.411 4.248 33.577 1.00 14.75 H new ATOM 0 HE3 MET D 65 0.107 5.257 32.472 1.00 14.75 H new ATOM 2974 N GLU D 66 4.450 5.482 36.385 1.00 12.44 N ATOM 2975 CA GLU D 66 4.778 6.738 37.055 1.00 13.25 C ATOM 2976 C GLU D 66 6.162 7.252 36.660 1.00 13.00 C ATOM 2977 O GLU D 66 6.358 8.454 36.443 1.00 10.31 O ATOM 2978 CB GLU D 66 4.727 6.557 38.573 1.00 14.68 C ATOM 2979 CG GLU D 66 4.743 7.863 39.340 1.00 18.58 C ATOM 2980 CD GLU D 66 4.667 7.654 40.839 1.00 21.31 C ATOM 2981 OE1 GLU D 66 3.891 6.776 41.278 1.00 20.21 O ATOM 2982 OE2 GLU D 66 5.373 8.378 41.576 1.00 21.91 O ATOM 0 H GLU D 66 4.526 4.783 36.881 1.00 12.44 H new ATOM 0 HA GLU D 66 4.118 7.392 36.775 1.00 13.25 H new ATOM 0 HB2 GLU D 66 3.925 6.064 38.806 1.00 14.68 H new ATOM 0 HB3 GLU D 66 5.483 6.017 38.852 1.00 14.68 H new ATOM 0 HG2 GLU D 66 5.553 8.352 39.125 1.00 18.58 H new ATOM 0 HG3 GLU D 66 3.996 8.412 39.054 1.00 18.58 H new ATOM 2983 N TYR D 67 7.120 6.333 36.580 1.00 11.02 N ATOM 2984 CA TYR D 67 8.485 6.674 36.212 1.00 11.38 C ATOM 2985 C TYR D 67 8.594 7.229 34.794 1.00 12.17 C ATOM 2986 O TYR D 67 9.173 8.297 34.579 1.00 11.47 O ATOM 2987 CB TYR D 67 9.377 5.442 36.334 1.00 11.27 C ATOM 2988 CG TYR D 67 10.749 5.612 35.722 1.00 12.87 C ATOM 2989 CD1 TYR D 67 11.730 6.391 36.342 1.00 12.06 C ATOM 2990 CD2 TYR D 67 11.074 4.973 34.528 1.00 14.74 C ATOM 2991 CE1 TYR D 67 12.997 6.519 35.788 1.00 10.82 C ATOM 2992 CE2 TYR D 67 12.334 5.096 33.968 1.00 13.55 C ATOM 2993 CZ TYR D 67 13.290 5.863 34.600 1.00 12.19 C ATOM 2994 OH TYR D 67 14.546 5.930 34.049 1.00 9.85 O ATOM 0 H TYR D 67 6.995 5.497 36.738 1.00 11.02 H new ATOM 0 HA TYR D 67 8.775 7.369 36.823 1.00 11.38 H new ATOM 0 HB2 TYR D 67 9.477 5.219 37.273 1.00 11.27 H new ATOM 0 HB3 TYR D 67 8.935 4.691 35.909 1.00 11.27 H new ATOM 0 HD1 TYR D 67 11.531 6.830 37.137 1.00 12.06 H new ATOM 0 HD2 TYR D 67 10.433 4.454 34.099 1.00 14.74 H new ATOM 0 HE1 TYR D 67 13.643 7.039 36.209 1.00 10.82 H new ATOM 0 HE2 TYR D 67 12.535 4.664 33.170 1.00 13.55 H new ATOM 0 HH TYR D 67 14.799 5.159 33.833 1.00 9.85 H new ATOM 2995 N LEU D 68 8.030 6.503 33.833 1.00 12.42 N ATOM 2996 CA LEU D 68 8.092 6.908 32.432 1.00 13.13 C ATOM 2997 C LEU D 68 7.475 8.264 32.116 1.00 13.91 C ATOM 2998 O LEU D 68 7.854 8.904 31.131 1.00 14.56 O ATOM 2999 CB LEU D 68 7.461 5.830 31.536 1.00 11.36 C ATOM 3000 CG LEU D 68 8.280 4.541 31.367 1.00 12.40 C ATOM 3001 CD1 LEU D 68 7.524 3.566 30.478 1.00 9.10 C ATOM 3002 CD2 LEU D 68 9.651 4.868 30.760 1.00 8.65 C ATOM 0 H LEU D 68 7.605 5.769 33.972 1.00 12.42 H new ATOM 0 HA LEU D 68 9.039 7.005 32.245 1.00 13.13 H new ATOM 0 HB2 LEU D 68 6.593 5.597 31.901 1.00 11.36 H new ATOM 0 HB3 LEU D 68 7.306 6.213 30.658 1.00 11.36 H new ATOM 0 HG LEU D 68 8.417 4.131 32.235 1.00 12.40 H new ATOM 0 HD11 LEU D 68 8.044 2.754 30.373 1.00 9.10 H new ATOM 0 HD12 LEU D 68 6.670 3.353 30.885 1.00 9.10 H new ATOM 0 HD13 LEU D 68 7.376 3.969 29.608 1.00 9.10 H new ATOM 0 HD21 LEU D 68 10.162 4.050 30.656 1.00 8.65 H new ATOM 0 HD22 LEU D 68 9.530 5.286 29.893 1.00 8.65 H new ATOM 0 HD23 LEU D 68 10.128 5.475 31.347 1.00 8.65 H new ATOM 3003 N GLU D 69 6.541 8.719 32.943 1.00 14.54 N ATOM 3004 CA GLU D 69 5.918 10.004 32.676 1.00 16.34 C ATOM 3005 C GLU D 69 6.880 11.142 32.970 1.00 16.57 C ATOM 3006 O GLU D 69 6.812 12.197 32.337 1.00 16.33 O ATOM 3007 CB GLU D 69 4.649 10.196 33.507 1.00 19.06 C ATOM 3008 CG GLU D 69 3.812 11.363 32.984 1.00 25.39 C ATOM 3009 CD GLU D 69 2.637 11.721 33.869 1.00 27.09 C ATOM 3010 OE1 GLU D 69 1.850 10.816 34.222 1.00 27.48 O ATOM 3011 OE2 GLU D 69 2.498 12.919 34.198 1.00 28.49 O ATOM 0 H GLU D 69 6.261 8.310 33.646 1.00 14.54 H new ATOM 0 HA GLU D 69 5.681 10.014 31.735 1.00 16.34 H new ATOM 0 HB2 GLU D 69 4.121 9.383 33.487 1.00 19.06 H new ATOM 0 HB3 GLU D 69 4.888 10.357 34.433 1.00 19.06 H new ATOM 0 HG2 GLU D 69 4.383 12.142 32.889 1.00 25.39 H new ATOM 0 HG3 GLU D 69 3.483 11.142 32.099 1.00 25.39 H new ATOM 3012 N ASN D 70 7.771 10.920 33.934 1.00 15.88 N ATOM 3013 CA ASN D 70 8.760 11.921 34.333 1.00 15.18 C ATOM 3014 C ASN D 70 9.825 11.250 35.200 1.00 12.30 C ATOM 3015 O ASN D 70 9.681 11.172 36.417 1.00 11.36 O ATOM 3016 CB ASN D 70 8.093 13.036 35.139 1.00 16.08 C ATOM 3017 CG ASN D 70 9.016 14.204 35.383 1.00 17.85 C ATOM 3018 OD1 ASN D 70 10.200 14.026 35.658 1.00 17.14 O ATOM 3019 ND2 ASN D 70 8.475 15.418 35.290 1.00 20.47 N ATOM 0 H ASN D 70 7.820 10.184 34.376 1.00 15.88 H new ATOM 0 HA ASN D 70 9.163 12.303 33.537 1.00 15.18 H new ATOM 0 HB2 ASN D 70 7.304 13.344 34.667 1.00 16.08 H new ATOM 0 HB3 ASN D 70 7.794 12.681 35.991 1.00 16.08 H new ATOM 0 HD21 ASN D 70 8.959 16.116 35.425 1.00 20.47 H new ATOM 0 HD22 ASN D 70 7.642 15.504 35.095 1.00 20.47 H new ATOM 3020 N PRO D 71 10.912 10.766 34.581 1.00 10.63 N ATOM 3021 CA PRO D 71 12.007 10.095 35.287 1.00 10.29 C ATOM 3022 C PRO D 71 12.626 10.859 36.458 1.00 11.08 C ATOM 3023 O PRO D 71 12.765 10.313 37.559 1.00 10.64 O ATOM 3024 CB PRO D 71 13.013 9.828 34.172 1.00 10.90 C ATOM 3025 CG PRO D 71 12.125 9.578 33.000 1.00 11.40 C ATOM 3026 CD PRO D 71 11.122 10.704 33.126 1.00 9.84 C ATOM 0 HA PRO D 71 11.685 9.300 35.741 1.00 10.29 H new ATOM 0 HB2 PRO D 71 13.601 10.585 34.026 1.00 10.90 H new ATOM 0 HB3 PRO D 71 13.577 9.064 34.368 1.00 10.90 H new ATOM 0 HG2 PRO D 71 12.611 9.615 32.161 1.00 11.40 H new ATOM 0 HG3 PRO D 71 11.701 8.707 33.044 1.00 11.40 H new ATOM 0 HD2 PRO D 71 11.467 11.539 32.773 1.00 9.84 H new ATOM 0 HD3 PRO D 71 10.300 10.513 32.648 1.00 9.84 H new ATOM 3027 N LYS D 72 12.992 12.116 36.221 1.00 10.80 N ATOM 3028 CA LYS D 72 13.617 12.958 37.242 1.00 9.74 C ATOM 3029 C LYS D 72 12.735 13.089 38.480 1.00 9.36 C ATOM 3030 O LYS D 72 13.224 13.102 39.611 1.00 7.72 O ATOM 3031 CB LYS D 72 13.896 14.356 36.674 0.50 9.88 C ATOM 3032 CG LYS D 72 15.156 15.024 37.210 0.50 10.56 C ATOM 3033 CD LYS D 72 16.404 14.348 36.657 0.50 10.52 C ATOM 3034 CE LYS D 72 17.699 15.008 37.132 0.50 10.64 C ATOM 3035 NZ LYS D 72 17.900 14.920 38.611 0.50 10.96 N ATOM 0 H LYS D 72 12.885 12.507 35.462 1.00 10.80 H new ATOM 0 HA LYS D 72 14.449 12.532 37.501 1.00 9.74 H new ATOM 0 HB2 LYS D 72 13.965 14.291 35.709 0.50 9.88 H new ATOM 0 HB3 LYS D 72 13.136 14.927 36.866 0.50 9.88 H new ATOM 0 HG2 LYS D 72 15.157 15.963 36.967 0.50 10.56 H new ATOM 0 HG3 LYS D 72 15.162 14.981 38.179 0.50 10.56 H new ATOM 0 HD2 LYS D 72 16.406 13.415 36.923 0.50 10.52 H new ATOM 0 HD3 LYS D 72 16.374 14.367 35.688 0.50 10.52 H new ATOM 0 HE2 LYS D 72 18.451 14.590 36.684 0.50 10.64 H new ATOM 0 HE3 LYS D 72 17.695 15.941 36.867 0.50 10.64 H new ATOM 0 HZ1 LYS D 72 17.936 15.740 38.955 0.50 10.96 H new ATOM 0 HZ2 LYS D 72 17.222 14.474 38.977 0.50 10.96 H new ATOM 0 HZ3 LYS D 72 18.662 14.493 38.782 0.50 10.96 H new ATOM 3036 N LYS D 73 11.432 13.207 38.253 1.00 8.99 N ATOM 3037 CA LYS D 73 10.483 13.343 39.341 1.00 10.66 C ATOM 3038 C LYS D 73 10.442 12.063 40.176 1.00 10.93 C ATOM 3039 O LYS D 73 10.594 12.103 41.391 1.00 12.20 O ATOM 3040 CB LYS D 73 9.086 13.650 38.786 0.50 8.33 C ATOM 3041 CG LYS D 73 8.005 13.867 39.842 0.50 7.25 C ATOM 3042 CD LYS D 73 6.643 14.024 39.180 0.50 8.23 C ATOM 3043 CE LYS D 73 5.507 14.157 40.184 0.50 9.81 C ATOM 3044 NZ LYS D 73 5.501 15.473 40.894 0.50 10.79 N ATOM 0 H LYS D 73 11.078 13.210 37.469 1.00 8.99 H new ATOM 0 HA LYS D 73 10.767 14.076 39.909 1.00 10.66 H new ATOM 0 HB2 LYS D 73 9.141 14.444 38.231 0.50 8.33 H new ATOM 0 HB3 LYS D 73 8.814 12.919 38.210 0.50 8.33 H new ATOM 0 HG2 LYS D 73 7.988 13.116 40.456 0.50 7.25 H new ATOM 0 HG3 LYS D 73 8.210 14.657 40.366 0.50 7.25 H new ATOM 0 HD2 LYS D 73 6.655 14.807 38.607 0.50 8.23 H new ATOM 0 HD3 LYS D 73 6.476 13.258 38.609 0.50 8.23 H new ATOM 0 HE2 LYS D 73 4.661 14.040 39.724 0.50 9.81 H new ATOM 0 HE3 LYS D 73 5.575 13.444 40.838 0.50 9.81 H new ATOM 0 HZ1 LYS D 73 4.820 15.499 41.467 0.50 10.79 H new ATOM 0 HZ2 LYS D 73 6.266 15.574 41.338 0.50 10.79 H new ATOM 0 HZ3 LYS D 73 5.414 16.130 40.300 0.50 10.79 H new ATOM 3045 N TYR D 74 10.251 10.929 39.515 1.00 12.74 N ATOM 3046 CA TYR D 74 10.170 9.646 40.204 1.00 11.67 C ATOM 3047 C TYR D 74 11.483 9.229 40.855 1.00 12.08 C ATOM 3048 O TYR D 74 11.484 8.570 41.902 1.00 11.58 O ATOM 3049 CB TYR D 74 9.706 8.554 39.235 1.00 11.62 C ATOM 3050 CG TYR D 74 9.394 7.240 39.912 1.00 12.77 C ATOM 3051 CD1 TYR D 74 8.445 7.170 40.936 1.00 14.52 C ATOM 3052 CD2 TYR D 74 10.048 6.066 39.540 1.00 14.61 C ATOM 3053 CE1 TYR D 74 8.156 5.963 41.569 1.00 15.66 C ATOM 3054 CE2 TYR D 74 9.768 4.849 40.171 1.00 12.24 C ATOM 3055 CZ TYR D 74 8.823 4.806 41.182 1.00 14.27 C ATOM 3056 OH TYR D 74 8.543 3.610 41.808 1.00 16.48 O ATOM 0 H TYR D 74 10.165 10.880 38.661 1.00 12.74 H new ATOM 0 HA TYR D 74 9.523 9.759 40.918 1.00 11.67 H new ATOM 0 HB2 TYR D 74 8.916 8.863 38.765 1.00 11.62 H new ATOM 0 HB3 TYR D 74 10.395 8.410 38.567 1.00 11.62 H new ATOM 0 HD1 TYR D 74 7.999 7.942 41.199 1.00 14.52 H new ATOM 0 HD2 TYR D 74 10.682 6.092 38.860 1.00 14.61 H new ATOM 0 HE1 TYR D 74 7.520 5.931 42.247 1.00 15.66 H new ATOM 0 HE2 TYR D 74 10.213 4.074 39.913 1.00 12.24 H new ATOM 0 HH TYR D 74 7.744 3.610 42.068 1.00 16.48 H new ATOM 3057 N ILE D 75 12.597 9.598 40.230 1.00 11.20 N ATOM 3058 CA ILE D 75 13.906 9.257 40.768 1.00 11.82 C ATOM 3059 C ILE D 75 14.839 10.466 40.723 1.00 12.95 C ATOM 3060 O ILE D 75 15.725 10.557 39.868 1.00 14.89 O ATOM 3061 CB ILE D 75 14.556 8.081 39.991 1.00 11.11 C ATOM 3062 CG1 ILE D 75 13.618 6.870 39.997 1.00 8.44 C ATOM 3063 CG2 ILE D 75 15.894 7.693 40.643 1.00 8.49 C ATOM 3064 CD1 ILE D 75 14.165 5.671 39.258 1.00 4.30 C ATOM 0 H ILE D 75 12.615 10.045 39.495 1.00 11.20 H new ATOM 0 HA ILE D 75 13.773 8.983 41.689 1.00 11.82 H new ATOM 0 HB ILE D 75 14.715 8.362 39.076 1.00 11.11 H new ATOM 0 HG12 ILE D 75 13.435 6.618 40.916 1.00 8.44 H new ATOM 0 HG13 ILE D 75 12.771 7.126 39.599 1.00 8.44 H new ATOM 0 HG21 ILE D 75 16.293 6.958 40.151 1.00 8.49 H new ATOM 0 HG22 ILE D 75 16.494 8.455 40.628 1.00 8.49 H new ATOM 0 HG23 ILE D 75 15.740 7.421 41.561 1.00 8.49 H new ATOM 0 HD11 ILE D 75 13.524 4.944 39.301 1.00 4.30 H new ATOM 0 HD12 ILE D 75 14.324 5.907 38.331 1.00 4.30 H new ATOM 0 HD13 ILE D 75 14.999 5.391 39.667 1.00 4.30 H new ATOM 3065 N PRO D 76 14.641 11.420 41.644 1.00 12.80 N ATOM 3066 CA PRO D 76 15.471 12.625 41.703 1.00 11.96 C ATOM 3067 C PRO D 76 16.939 12.248 41.592 1.00 10.78 C ATOM 3068 O PRO D 76 17.394 11.284 42.220 1.00 10.18 O ATOM 3069 CB PRO D 76 15.122 13.214 43.064 1.00 13.82 C ATOM 3070 CG PRO D 76 13.678 12.857 43.216 1.00 15.82 C ATOM 3071 CD PRO D 76 13.635 11.419 42.722 1.00 14.11 C ATOM 0 HA PRO D 76 15.314 13.256 40.983 1.00 11.96 H new ATOM 0 HB2 PRO D 76 15.664 12.832 43.772 1.00 13.82 H new ATOM 0 HB3 PRO D 76 15.260 14.174 43.088 1.00 13.82 H new ATOM 0 HG2 PRO D 76 13.384 12.930 44.137 1.00 15.82 H new ATOM 0 HG3 PRO D 76 13.106 13.436 42.689 1.00 15.82 H new ATOM 0 HD2 PRO D 76 13.860 10.789 43.425 1.00 14.11 H new ATOM 0 HD3 PRO D 76 12.755 11.176 42.394 1.00 14.11 H new ATOM 3072 N GLY D 77 17.674 12.995 40.777 1.00 8.48 N ATOM 3073 CA GLY D 77 19.080 12.706 40.605 1.00 7.83 C ATOM 3074 C GLY D 77 19.400 11.858 39.387 1.00 8.82 C ATOM 3075 O GLY D 77 20.564 11.804 38.975 1.00 7.66 O ATOM 0 H GLY D 77 17.379 13.663 40.323 1.00 8.48 H new ATOM 0 HA2 GLY D 77 19.566 13.543 40.540 1.00 7.83 H new ATOM 0 HA3 GLY D 77 19.405 12.251 41.397 1.00 7.83 H new ATOM 3076 N THR D 78 18.402 11.184 38.811 1.00 8.78 N ATOM 3077 CA THR D 78 18.665 10.368 37.626 1.00 8.76 C ATOM 3078 C THR D 78 18.834 11.307 36.440 1.00 10.17 C ATOM 3079 O THR D 78 17.972 12.138 36.157 1.00 9.34 O ATOM 3080 CB THR D 78 17.530 9.351 37.305 1.00 8.71 C ATOM 3081 OG1 THR D 78 17.970 8.482 36.252 1.00 7.58 O ATOM 3082 CG2 THR D 78 16.258 10.056 36.841 1.00 5.26 C ATOM 0 H THR D 78 17.586 11.185 39.083 1.00 8.78 H new ATOM 0 HA THR D 78 19.463 9.846 37.801 1.00 8.76 H new ATOM 0 HB THR D 78 17.333 8.855 38.115 1.00 8.71 H new ATOM 0 HG1 THR D 78 18.668 8.081 36.492 1.00 7.58 H new ATOM 0 HG21 THR D 78 15.573 9.396 36.650 1.00 5.26 H new ATOM 0 HG22 THR D 78 15.946 10.653 37.539 1.00 5.26 H new ATOM 0 HG23 THR D 78 16.446 10.568 36.039 1.00 5.26 H new ATOM 3083 N LYS D 79 19.952 11.165 35.745 1.00 9.79 N ATOM 3084 CA LYS D 79 20.236 12.020 34.614 1.00 12.13 C ATOM 3085 C LYS D 79 21.421 11.481 33.844 1.00 12.79 C ATOM 3086 O LYS D 79 21.963 10.422 34.160 1.00 12.72 O ATOM 3087 CB LYS D 79 20.564 13.425 35.110 1.00 12.79 C ATOM 3088 CG LYS D 79 21.731 13.450 36.100 1.00 14.62 C ATOM 3089 CD LYS D 79 21.850 14.800 36.777 1.00 15.78 C ATOM 3090 CE LYS D 79 22.891 14.802 37.884 1.00 15.60 C ATOM 3091 NZ LYS D 79 24.240 14.527 37.361 1.00 17.45 N ATOM 0 H LYS D 79 20.558 10.578 35.915 1.00 9.79 H new ATOM 0 HA LYS D 79 19.459 12.046 34.034 1.00 12.13 H new ATOM 0 HB2 LYS D 79 20.778 13.989 34.351 1.00 12.79 H new ATOM 0 HB3 LYS D 79 19.778 13.805 35.533 1.00 12.79 H new ATOM 0 HG2 LYS D 79 21.604 12.760 36.770 1.00 14.62 H new ATOM 0 HG3 LYS D 79 22.557 13.245 35.635 1.00 14.62 H new ATOM 0 HD2 LYS D 79 22.083 15.471 36.116 1.00 15.78 H new ATOM 0 HD3 LYS D 79 20.989 15.051 37.146 1.00 15.78 H new ATOM 0 HE2 LYS D 79 22.886 15.662 38.332 1.00 15.60 H new ATOM 0 HE3 LYS D 79 22.659 14.135 38.549 1.00 15.60 H new ATOM 0 HZ1 LYS D 79 24.824 14.520 38.033 1.00 17.45 H new ATOM 0 HZ2 LYS D 79 24.246 13.735 36.956 1.00 17.45 H new ATOM 0 HZ3 LYS D 79 24.467 15.160 36.778 1.00 17.45 H new ATOM 3092 N MET D 80 21.820 12.240 32.839 1.00 14.95 N ATOM 3093 CA MET D 80 22.952 11.896 32.007 1.00 17.71 C ATOM 3094 C MET D 80 23.840 13.134 32.036 1.00 17.46 C ATOM 3095 O MET D 80 23.372 14.229 31.742 1.00 18.79 O ATOM 3096 CB MET D 80 22.473 11.636 30.581 1.00 19.60 C ATOM 3097 CG MET D 80 23.335 10.687 29.783 1.00 24.36 C ATOM 3098 SD MET D 80 22.842 10.710 28.048 1.00 28.93 S ATOM 3099 CE MET D 80 24.444 11.044 27.253 1.00 27.56 C ATOM 0 H MET D 80 21.436 12.977 32.619 1.00 14.95 H new ATOM 0 HA MET D 80 23.416 11.101 32.314 1.00 17.71 H new ATOM 0 HB2 MET D 80 21.571 11.281 30.617 1.00 19.60 H new ATOM 0 HB3 MET D 80 22.426 12.483 30.110 1.00 19.60 H new ATOM 0 HG2 MET D 80 24.268 10.940 29.865 1.00 24.36 H new ATOM 0 HG3 MET D 80 23.253 9.788 30.138 1.00 24.36 H new ATOM 0 HE1 MET D 80 24.352 10.959 26.291 1.00 27.56 H new ATOM 0 HE2 MET D 80 24.733 11.944 27.472 1.00 27.56 H new ATOM 0 HE3 MET D 80 25.103 10.407 27.572 1.00 27.56 H new ATOM 3100 N ILE D 81 25.102 12.978 32.421 1.00 18.19 N ATOM 3101 CA ILE D 81 26.007 14.118 32.443 1.00 18.06 C ATOM 3102 C ILE D 81 26.834 14.093 31.167 1.00 17.26 C ATOM 3103 O ILE D 81 27.083 13.027 30.607 1.00 15.56 O ATOM 3104 CB ILE D 81 26.943 14.095 33.659 1.00 19.83 C ATOM 3105 CG1 ILE D 81 27.701 12.771 33.711 1.00 22.15 C ATOM 3106 CG2 ILE D 81 26.141 14.313 34.930 1.00 20.97 C ATOM 3107 CD1 ILE D 81 28.751 12.723 34.802 1.00 22.80 C ATOM 0 H ILE D 81 25.449 12.232 32.670 1.00 18.19 H new ATOM 0 HA ILE D 81 25.478 14.928 32.505 1.00 18.06 H new ATOM 0 HB ILE D 81 27.592 14.812 33.579 1.00 19.83 H new ATOM 0 HG12 ILE D 81 27.068 12.049 33.848 1.00 22.15 H new ATOM 0 HG13 ILE D 81 28.127 12.616 32.854 1.00 22.15 H new ATOM 0 HG21 ILE D 81 26.737 14.298 35.695 1.00 20.97 H new ATOM 0 HG22 ILE D 81 25.693 15.172 34.887 1.00 20.97 H new ATOM 0 HG23 ILE D 81 25.480 13.609 35.021 1.00 20.97 H new ATOM 0 HD11 ILE D 81 29.196 11.861 34.785 1.00 22.80 H new ATOM 0 HD12 ILE D 81 29.403 13.426 34.655 1.00 22.80 H new ATOM 0 HD13 ILE D 81 28.327 12.850 35.665 1.00 22.80 H new ATOM 3108 N PHE D 82 27.251 15.275 30.719 1.00 15.06 N ATOM 3109 CA PHE D 82 28.023 15.425 29.491 1.00 13.65 C ATOM 3110 C PHE D 82 29.501 15.121 29.649 1.00 13.80 C ATOM 3111 O PHE D 82 30.201 15.791 30.399 1.00 15.36 O ATOM 3112 CB PHE D 82 27.846 16.845 28.957 1.00 11.17 C ATOM 3113 CG PHE D 82 26.408 17.264 28.851 1.00 11.34 C ATOM 3114 CD1 PHE D 82 25.954 18.421 29.484 1.00 9.31 C ATOM 3115 CD2 PHE D 82 25.494 16.480 28.149 1.00 7.15 C ATOM 3116 CE1 PHE D 82 24.606 18.786 29.420 1.00 8.87 C ATOM 3117 CE2 PHE D 82 24.153 16.837 28.083 1.00 7.78 C ATOM 3118 CZ PHE D 82 23.707 17.990 28.719 1.00 6.64 C ATOM 0 H PHE D 82 27.092 16.017 31.123 1.00 15.06 H new ATOM 0 HA PHE D 82 27.678 14.768 28.866 1.00 13.65 H new ATOM 0 HB2 PHE D 82 28.315 17.464 29.539 1.00 11.17 H new ATOM 0 HB3 PHE D 82 28.260 16.909 28.082 1.00 11.17 H new ATOM 0 HD1 PHE D 82 26.554 18.955 29.953 1.00 9.31 H new ATOM 0 HD2 PHE D 82 25.785 15.708 27.719 1.00 7.15 H new ATOM 0 HE1 PHE D 82 24.311 19.559 29.845 1.00 8.87 H new ATOM 0 HE2 PHE D 82 23.553 16.304 27.613 1.00 7.78 H new ATOM 0 HZ PHE D 82 22.809 18.228 28.676 1.00 6.64 H new ATOM 3119 N ALA D 83 29.975 14.107 28.933 1.00 14.34 N ATOM 3120 CA ALA D 83 31.382 13.736 29.001 1.00 14.24 C ATOM 3121 C ALA D 83 32.219 14.893 28.482 1.00 14.39 C ATOM 3122 O ALA D 83 31.842 15.566 27.520 1.00 13.38 O ATOM 3123 CB ALA D 83 31.643 12.491 28.163 1.00 14.15 C ATOM 0 H ALA D 83 29.500 13.623 28.404 1.00 14.34 H new ATOM 0 HA ALA D 83 31.621 13.541 29.921 1.00 14.24 H new ATOM 0 HB1 ALA D 83 32.582 12.255 28.217 1.00 14.15 H new ATOM 0 HB2 ALA D 83 31.106 11.756 28.499 1.00 14.15 H new ATOM 0 HB3 ALA D 83 31.407 12.667 27.239 1.00 14.15 H new ATOM 3124 N GLY D 84 33.354 15.127 29.127 1.00 14.94 N ATOM 3125 CA GLY D 84 34.221 16.203 28.697 1.00 15.48 C ATOM 3126 C GLY D 84 35.243 15.715 27.694 1.00 16.92 C ATOM 3127 O GLY D 84 35.507 14.512 27.599 1.00 16.57 O ATOM 0 H GLY D 84 33.634 14.680 29.806 1.00 14.94 H new ATOM 0 HA2 GLY D 84 33.689 16.912 28.302 1.00 15.48 H new ATOM 0 HA3 GLY D 84 34.674 16.583 29.466 1.00 15.48 H new ATOM 3128 N ILE D 85 35.799 16.643 26.920 1.00 16.84 N ATOM 3129 CA ILE D 85 36.823 16.305 25.941 1.00 16.27 C ATOM 3130 C ILE D 85 38.133 16.716 26.599 1.00 16.46 C ATOM 3131 O ILE D 85 38.496 17.895 26.589 1.00 17.57 O ATOM 3132 CB ILE D 85 36.630 17.088 24.624 1.00 16.40 C ATOM 3133 CG1 ILE D 85 35.274 16.738 24.007 1.00 15.80 C ATOM 3134 CG2 ILE D 85 37.762 16.766 23.646 1.00 15.83 C ATOM 3135 CD1 ILE D 85 35.099 15.267 23.709 1.00 17.53 C ATOM 0 H ILE D 85 35.595 17.478 26.948 1.00 16.84 H new ATOM 0 HA ILE D 85 36.793 15.364 25.706 1.00 16.27 H new ATOM 0 HB ILE D 85 36.651 18.039 24.814 1.00 16.40 H new ATOM 0 HG12 ILE D 85 34.570 17.023 24.611 1.00 15.80 H new ATOM 0 HG13 ILE D 85 35.163 17.241 23.185 1.00 15.80 H new ATOM 0 HG21 ILE D 85 37.630 17.263 22.823 1.00 15.83 H new ATOM 0 HG22 ILE D 85 38.612 17.015 24.041 1.00 15.83 H new ATOM 0 HG23 ILE D 85 37.762 15.815 23.453 1.00 15.83 H new ATOM 0 HD11 ILE D 85 34.222 15.117 23.322 1.00 17.53 H new ATOM 0 HD12 ILE D 85 35.782 14.980 23.083 1.00 17.53 H new ATOM 0 HD13 ILE D 85 35.180 14.758 24.531 1.00 17.53 H new ATOM 3136 N LYS D 86 38.825 15.738 27.182 1.00 16.46 N ATOM 3137 CA LYS D 86 40.084 15.977 27.891 1.00 17.39 C ATOM 3138 C LYS D 86 41.242 16.569 27.091 1.00 17.75 C ATOM 3139 O LYS D 86 41.802 17.590 27.496 1.00 19.24 O ATOM 3140 CB LYS D 86 40.552 14.691 28.578 0.50 16.34 C ATOM 3141 CG LYS D 86 39.839 14.385 29.888 0.50 16.69 C ATOM 3142 CD LYS D 86 38.352 14.112 29.699 0.50 16.76 C ATOM 3143 CE LYS D 86 37.692 13.776 31.039 0.50 17.13 C ATOM 3144 NZ LYS D 86 36.245 13.413 30.925 0.50 15.35 N ATOM 0 H LYS D 86 38.577 14.914 27.178 1.00 16.46 H new ATOM 0 HA LYS D 86 39.852 16.674 28.525 1.00 17.39 H new ATOM 0 HB2 LYS D 86 40.422 13.946 27.970 0.50 16.34 H new ATOM 0 HB3 LYS D 86 41.505 14.756 28.748 0.50 16.34 H new ATOM 0 HG2 LYS D 86 40.255 13.615 30.306 0.50 16.69 H new ATOM 0 HG3 LYS D 86 39.952 15.133 30.496 0.50 16.69 H new ATOM 0 HD2 LYS D 86 37.923 14.888 29.307 0.50 16.76 H new ATOM 0 HD3 LYS D 86 38.229 13.376 29.079 0.50 16.76 H new ATOM 0 HE2 LYS D 86 38.170 13.039 31.450 0.50 17.13 H new ATOM 0 HE3 LYS D 86 37.780 14.538 31.633 0.50 17.13 H new ATOM 0 HZ1 LYS D 86 35.920 13.229 31.733 0.50 15.35 H new ATOM 0 HZ2 LYS D 86 35.795 14.095 30.572 0.50 15.35 H new ATOM 0 HZ3 LYS D 86 36.158 12.698 30.402 0.50 15.35 H new ATOM 3145 N LYS D 87 41.605 15.943 25.972 1.00 16.32 N ATOM 3146 CA LYS D 87 42.715 16.433 25.150 1.00 16.67 C ATOM 3147 C LYS D 87 42.540 17.863 24.647 1.00 19.73 C ATOM 3148 O LYS D 87 41.491 18.221 24.099 1.00 19.95 O ATOM 3149 CB LYS D 87 42.940 15.516 23.946 0.50 15.40 C ATOM 3150 CG LYS D 87 43.585 14.185 24.276 0.50 11.80 C ATOM 3151 CD LYS D 87 43.905 13.412 23.008 0.50 10.20 C ATOM 3152 CE LYS D 87 44.823 14.209 22.088 0.50 9.51 C ATOM 3153 NZ LYS D 87 46.126 14.536 22.737 0.50 9.38 N ATOM 0 H LYS D 87 41.223 15.234 25.671 1.00 16.32 H new ATOM 0 HA LYS D 87 43.485 16.429 25.740 1.00 16.67 H new ATOM 0 HB2 LYS D 87 42.086 15.350 23.517 0.50 15.40 H new ATOM 0 HB3 LYS D 87 43.496 15.980 23.301 0.50 15.40 H new ATOM 0 HG2 LYS D 87 44.398 14.332 24.784 0.50 11.80 H new ATOM 0 HG3 LYS D 87 42.990 13.663 24.837 0.50 11.80 H new ATOM 0 HD2 LYS D 87 44.327 12.570 23.238 0.50 10.20 H new ATOM 0 HD3 LYS D 87 43.082 13.198 22.541 0.50 10.20 H new ATOM 0 HE2 LYS D 87 44.986 13.702 21.277 0.50 9.51 H new ATOM 0 HE3 LYS D 87 44.380 15.031 21.824 0.50 9.51 H new ATOM 0 HZ1 LYS D 87 46.675 14.896 22.136 0.50 9.38 H new ATOM 0 HZ2 LYS D 87 45.991 15.115 23.400 0.50 9.38 H new ATOM 0 HZ3 LYS D 87 46.491 13.792 23.063 0.50 9.38 H new ATOM 3154 N LYS D 88 43.587 18.668 24.817 1.00 21.65 N ATOM 3155 CA LYS D 88 43.579 20.062 24.386 1.00 22.22 C ATOM 3156 C LYS D 88 43.400 20.186 22.868 1.00 22.19 C ATOM 3157 O LYS D 88 42.636 21.032 22.386 1.00 20.99 O ATOM 3158 CB LYS D 88 44.887 20.750 24.796 1.00 23.59 C ATOM 3159 CG LYS D 88 44.875 22.261 24.583 1.00 26.45 C ATOM 3160 CD LYS D 88 46.267 22.829 24.303 1.00 29.75 C ATOM 3161 CE LYS D 88 47.252 22.575 25.440 1.00 32.35 C ATOM 3162 NZ LYS D 88 48.643 22.990 25.068 1.00 31.29 N ATOM 0 H LYS D 88 44.323 18.419 25.186 1.00 21.65 H new ATOM 0 HA LYS D 88 42.827 20.494 24.819 1.00 22.22 H new ATOM 0 HB2 LYS D 88 45.062 20.564 25.732 1.00 23.59 H new ATOM 0 HB3 LYS D 88 45.619 20.365 24.289 1.00 23.59 H new ATOM 0 HG2 LYS D 88 44.288 22.475 23.841 1.00 26.45 H new ATOM 0 HG3 LYS D 88 44.506 22.692 25.370 1.00 26.45 H new ATOM 0 HD2 LYS D 88 46.614 22.435 23.487 1.00 29.75 H new ATOM 0 HD3 LYS D 88 46.197 23.784 24.150 1.00 29.75 H new ATOM 0 HE2 LYS D 88 46.969 23.062 26.229 1.00 32.35 H new ATOM 0 HE3 LYS D 88 47.245 21.633 25.670 1.00 32.35 H new ATOM 0 HZ1 LYS D 88 49.193 22.830 25.749 1.00 31.29 H new ATOM 0 HZ2 LYS D 88 48.911 22.528 24.356 1.00 31.29 H new ATOM 0 HZ3 LYS D 88 48.653 23.859 24.877 1.00 31.29 H new ATOM 3163 N THR D 89 44.114 19.351 22.118 1.00 22.33 N ATOM 3164 CA THR D 89 44.039 19.374 20.656 1.00 21.52 C ATOM 3165 C THR D 89 42.637 19.042 20.134 1.00 20.34 C ATOM 3166 O THR D 89 42.143 19.697 19.215 1.00 19.14 O ATOM 3167 CB THR D 89 45.049 18.390 20.033 1.00 22.68 C ATOM 3168 OG1 THR D 89 44.721 17.050 20.421 1.00 23.50 O ATOM 3169 CG2 THR D 89 46.460 18.716 20.507 1.00 22.51 C ATOM 0 H THR D 89 44.651 18.760 22.437 1.00 22.33 H new ATOM 0 HA THR D 89 44.256 20.282 20.391 1.00 21.52 H new ATOM 0 HB THR D 89 45.008 18.471 19.067 1.00 22.68 H new ATOM 0 HG1 THR D 89 45.272 16.516 20.079 1.00 23.50 H new ATOM 0 HG21 THR D 89 47.087 18.092 20.110 1.00 22.51 H new ATOM 0 HG22 THR D 89 46.691 19.620 20.240 1.00 22.51 H new ATOM 0 HG23 THR D 89 46.502 18.644 21.473 1.00 22.51 H new ATOM 3170 N GLU D 90 41.997 18.031 20.722 1.00 18.66 N ATOM 3171 CA GLU D 90 40.654 17.652 20.303 1.00 16.14 C ATOM 3172 C GLU D 90 39.689 18.800 20.559 1.00 15.54 C ATOM 3173 O GLU D 90 38.874 19.127 19.701 1.00 13.74 O ATOM 3174 CB GLU D 90 40.183 16.399 21.036 1.00 16.29 C ATOM 3175 CG GLU D 90 40.974 15.142 20.690 1.00 18.73 C ATOM 3176 CD GLU D 90 40.271 13.860 21.120 1.00 18.94 C ATOM 3177 OE1 GLU D 90 40.848 12.771 20.935 1.00 23.78 O ATOM 3178 OE2 GLU D 90 39.136 13.931 21.635 1.00 19.51 O ATOM 0 H GLU D 90 42.323 17.556 21.361 1.00 18.66 H new ATOM 0 HA GLU D 90 40.675 17.456 19.353 1.00 16.14 H new ATOM 0 HB2 GLU D 90 40.242 16.554 21.992 1.00 16.29 H new ATOM 0 HB3 GLU D 90 39.247 16.248 20.830 1.00 16.29 H new ATOM 0 HG2 GLU D 90 41.127 15.116 19.733 1.00 18.73 H new ATOM 0 HG3 GLU D 90 41.845 15.186 21.116 1.00 18.73 H new ATOM 3179 N ARG D 91 39.778 19.417 21.736 1.00 14.52 N ATOM 3180 CA ARG D 91 38.904 20.541 22.040 1.00 14.52 C ATOM 3181 C ARG D 91 39.113 21.603 20.970 1.00 14.36 C ATOM 3182 O ARG D 91 38.155 22.181 20.461 1.00 14.64 O ATOM 3183 CB ARG D 91 39.211 21.123 23.426 1.00 14.81 C ATOM 3184 CG ARG D 91 38.528 20.390 24.581 1.00 17.21 C ATOM 3185 CD ARG D 91 38.829 21.059 25.924 1.00 19.98 C ATOM 3186 NE ARG D 91 40.177 20.750 26.394 1.00 22.48 N ATOM 3187 CZ ARG D 91 40.928 21.574 27.114 1.00 23.67 C ATOM 3188 NH1 ARG D 91 40.473 22.772 27.452 1.00 26.85 N ATOM 3189 NH2 ARG D 91 42.139 21.200 27.497 1.00 26.18 N ATOM 0 H ARG D 91 40.329 19.203 22.361 1.00 14.52 H new ATOM 0 HA ARG D 91 37.982 20.241 22.048 1.00 14.52 H new ATOM 0 HB2 ARG D 91 40.170 21.105 23.568 1.00 14.81 H new ATOM 0 HB3 ARG D 91 38.939 22.054 23.442 1.00 14.81 H new ATOM 0 HG2 ARG D 91 37.569 20.373 24.434 1.00 17.21 H new ATOM 0 HG3 ARG D 91 38.828 19.468 24.603 1.00 17.21 H new ATOM 0 HD2 ARG D 91 38.729 22.020 25.836 1.00 19.98 H new ATOM 0 HD3 ARG D 91 38.181 20.766 26.584 1.00 19.98 H new ATOM 0 HE ARG D 91 40.506 19.982 26.190 1.00 22.48 H new ATOM 0 HH11 ARG D 91 39.687 23.019 27.205 1.00 26.85 H new ATOM 0 HH12 ARG D 91 40.963 23.302 27.919 1.00 26.85 H new ATOM 0 HH21 ARG D 91 42.438 20.424 27.279 1.00 26.18 H new ATOM 0 HH22 ARG D 91 42.626 21.733 27.964 1.00 26.18 H new ATOM 3190 N GLU D 92 40.377 21.842 20.631 1.00 14.82 N ATOM 3191 CA GLU D 92 40.747 22.819 19.616 1.00 14.53 C ATOM 3192 C GLU D 92 40.194 22.461 18.244 1.00 13.32 C ATOM 3193 O GLU D 92 39.573 23.292 17.590 1.00 12.30 O ATOM 3194 CB GLU D 92 42.266 22.943 19.527 1.00 16.47 C ATOM 3195 CG GLU D 92 42.882 23.804 20.611 1.00 21.48 C ATOM 3196 CD GLU D 92 44.388 23.637 20.694 1.00 24.53 C ATOM 3197 OE1 GLU D 92 45.046 24.447 21.391 1.00 24.55 O ATOM 3198 OE2 GLU D 92 44.911 22.686 20.067 1.00 25.73 O ATOM 0 H GLU D 92 41.047 21.438 20.987 1.00 14.82 H new ATOM 0 HA GLU D 92 40.359 23.666 19.886 1.00 14.53 H new ATOM 0 HB2 GLU D 92 42.656 22.056 19.571 1.00 16.47 H new ATOM 0 HB3 GLU D 92 42.500 23.313 18.662 1.00 16.47 H new ATOM 0 HG2 GLU D 92 42.671 24.735 20.440 1.00 21.48 H new ATOM 0 HG3 GLU D 92 42.486 23.576 21.466 1.00 21.48 H new ATOM 3199 N ASP D 93 40.418 21.228 17.806 1.00 11.92 N ATOM 3200 CA ASP D 93 39.914 20.816 16.497 1.00 13.12 C ATOM 3201 C ASP D 93 38.392 20.909 16.469 1.00 11.56 C ATOM 3202 O ASP D 93 37.818 21.472 15.537 1.00 13.44 O ATOM 3203 CB ASP D 93 40.375 19.393 16.167 1.00 10.70 C ATOM 3204 CG ASP D 93 41.888 19.282 16.092 1.00 11.13 C ATOM 3205 OD1 ASP D 93 42.560 20.320 16.280 1.00 9.67 O ATOM 3206 OD2 ASP D 93 42.404 18.166 15.851 1.00 10.42 O ATOM 0 H ASP D 93 40.850 20.624 18.239 1.00 11.92 H new ATOM 0 HA ASP D 93 40.273 21.414 15.823 1.00 13.12 H new ATOM 0 HB2 ASP D 93 40.041 18.782 16.842 1.00 10.70 H new ATOM 0 HB3 ASP D 93 39.990 19.118 15.320 1.00 10.70 H new ATOM 3207 N LEU D 94 37.745 20.373 17.501 1.00 11.05 N ATOM 3208 CA LEU D 94 36.292 20.416 17.588 1.00 10.43 C ATOM 3209 C LEU D 94 35.797 21.847 17.450 1.00 10.76 C ATOM 3210 O LEU D 94 34.856 22.120 16.707 1.00 14.09 O ATOM 3211 CB LEU D 94 35.815 19.832 18.919 1.00 7.45 C ATOM 3212 CG LEU D 94 34.319 19.960 19.249 1.00 8.21 C ATOM 3213 CD1 LEU D 94 33.469 19.518 18.069 1.00 8.38 C ATOM 3214 CD2 LEU D 94 34.000 19.124 20.481 1.00 7.30 C ATOM 0 H LEU D 94 38.131 19.980 18.161 1.00 11.05 H new ATOM 0 HA LEU D 94 35.929 19.883 16.864 1.00 10.43 H new ATOM 0 HB2 LEU D 94 36.046 18.890 18.934 1.00 7.45 H new ATOM 0 HB3 LEU D 94 36.317 20.258 19.631 1.00 7.45 H new ATOM 0 HG LEU D 94 34.113 20.890 19.432 1.00 8.21 H new ATOM 0 HD11 LEU D 94 32.530 19.606 18.296 1.00 8.38 H new ATOM 0 HD12 LEU D 94 33.669 20.074 17.300 1.00 8.38 H new ATOM 0 HD13 LEU D 94 33.665 18.592 17.858 1.00 8.38 H new ATOM 0 HD21 LEU D 94 33.056 19.204 20.691 1.00 7.30 H new ATOM 0 HD22 LEU D 94 34.215 18.194 20.306 1.00 7.30 H new ATOM 0 HD23 LEU D 94 34.526 19.441 21.232 1.00 7.30 H new ATOM 3215 N ILE D 95 36.440 22.764 18.160 1.00 11.15 N ATOM 3216 CA ILE D 95 36.049 24.163 18.111 1.00 9.39 C ATOM 3217 C ILE D 95 36.216 24.775 16.714 1.00 9.01 C ATOM 3218 O ILE D 95 35.382 25.573 16.271 1.00 7.31 O ATOM 3219 CB ILE D 95 36.833 24.963 19.171 1.00 11.76 C ATOM 3220 CG1 ILE D 95 36.332 24.551 20.564 1.00 12.04 C ATOM 3221 CG2 ILE D 95 36.674 26.465 18.934 1.00 9.68 C ATOM 3222 CD1 ILE D 95 36.999 25.272 21.737 1.00 12.33 C ATOM 0 H ILE D 95 37.106 22.596 18.677 1.00 11.15 H new ATOM 0 HA ILE D 95 35.102 24.211 18.314 1.00 9.39 H new ATOM 0 HB ILE D 95 37.780 24.766 19.106 1.00 11.76 H new ATOM 0 HG12 ILE D 95 35.376 24.709 20.608 1.00 12.04 H new ATOM 0 HG13 ILE D 95 36.467 23.596 20.671 1.00 12.04 H new ATOM 0 HG21 ILE D 95 37.172 26.954 19.608 1.00 9.68 H new ATOM 0 HG22 ILE D 95 37.013 26.692 18.054 1.00 9.68 H new ATOM 0 HG23 ILE D 95 35.736 26.704 18.990 1.00 9.68 H new ATOM 0 HD11 ILE D 95 36.623 24.950 22.571 1.00 12.33 H new ATOM 0 HD12 ILE D 95 37.953 25.097 21.724 1.00 12.33 H new ATOM 0 HD13 ILE D 95 36.845 26.227 21.660 1.00 12.33 H new ATOM 3223 N ALA D 96 37.278 24.399 16.010 1.00 6.72 N ATOM 3224 CA ALA D 96 37.474 24.919 14.660 1.00 5.94 C ATOM 3225 C ALA D 96 36.319 24.440 13.775 1.00 5.90 C ATOM 3226 O ALA D 96 35.784 25.215 12.978 1.00 5.45 O ATOM 3227 CB ALA D 96 38.805 24.445 14.086 1.00 3.19 C ATOM 0 H ALA D 96 37.885 23.856 16.287 1.00 6.72 H new ATOM 0 HA ALA D 96 37.489 25.888 14.689 1.00 5.94 H new ATOM 0 HB1 ALA D 96 38.916 24.800 13.190 1.00 3.19 H new ATOM 0 HB2 ALA D 96 39.530 24.757 14.650 1.00 3.19 H new ATOM 0 HB3 ALA D 96 38.816 23.476 14.052 1.00 3.19 H new ATOM 3228 N TYR D 97 35.933 23.169 13.911 1.00 5.81 N ATOM 3229 CA TYR D 97 34.825 22.645 13.108 1.00 4.89 C ATOM 3230 C TYR D 97 33.558 23.424 13.457 1.00 5.55 C ATOM 3231 O TYR D 97 32.763 23.774 12.584 1.00 8.21 O ATOM 3232 CB TYR D 97 34.581 21.149 13.378 1.00 4.17 C ATOM 3233 CG TYR D 97 33.359 20.632 12.641 1.00 7.00 C ATOM 3234 CD1 TYR D 97 33.369 20.478 11.246 1.00 6.43 C ATOM 3235 CD2 TYR D 97 32.151 20.427 13.313 1.00 4.94 C ATOM 3236 CE1 TYR D 97 32.202 20.151 10.546 1.00 4.91 C ATOM 3237 CE2 TYR D 97 30.983 20.101 12.621 1.00 4.79 C ATOM 3238 CZ TYR D 97 31.011 19.972 11.242 1.00 5.09 C ATOM 3239 OH TYR D 97 29.839 19.720 10.557 1.00 6.27 O ATOM 0 H TYR D 97 36.291 22.604 14.451 1.00 5.81 H new ATOM 0 HA TYR D 97 35.053 22.748 12.171 1.00 4.89 H new ATOM 0 HB2 TYR D 97 35.361 20.640 13.106 1.00 4.17 H new ATOM 0 HB3 TYR D 97 34.467 21.007 14.331 1.00 4.17 H new ATOM 0 HD1 TYR D 97 34.165 20.595 10.779 1.00 6.43 H new ATOM 0 HD2 TYR D 97 32.125 20.509 14.239 1.00 4.94 H new ATOM 0 HE1 TYR D 97 32.223 20.054 9.621 1.00 4.91 H new ATOM 0 HE2 TYR D 97 30.188 19.971 13.085 1.00 4.79 H new ATOM 0 HH TYR D 97 30.005 19.641 9.737 1.00 6.27 H new ATOM 3240 N LEU D 98 33.374 23.692 14.744 1.00 4.59 N ATOM 3241 CA LEU D 98 32.206 24.425 15.202 1.00 6.01 C ATOM 3242 C LEU D 98 32.230 25.856 14.690 1.00 6.16 C ATOM 3243 O LEU D 98 31.198 26.413 14.339 1.00 6.51 O ATOM 3244 CB LEU D 98 32.154 24.414 16.730 1.00 7.15 C ATOM 3245 CG LEU D 98 31.810 23.052 17.338 1.00 9.24 C ATOM 3246 CD1 LEU D 98 32.012 23.073 18.851 1.00 9.00 C ATOM 3247 CD2 LEU D 98 30.372 22.710 16.989 1.00 7.96 C ATOM 0 H LEU D 98 33.916 23.457 15.368 1.00 4.59 H new ATOM 0 HA LEU D 98 31.413 23.991 14.851 1.00 6.01 H new ATOM 0 HB2 LEU D 98 33.014 24.703 17.075 1.00 7.15 H new ATOM 0 HB3 LEU D 98 31.497 25.064 17.026 1.00 7.15 H new ATOM 0 HG LEU D 98 32.400 22.374 16.974 1.00 9.24 H new ATOM 0 HD11 LEU D 98 31.790 22.204 19.219 1.00 9.00 H new ATOM 0 HD12 LEU D 98 32.938 23.282 19.051 1.00 9.00 H new ATOM 0 HD13 LEU D 98 31.437 23.747 19.245 1.00 9.00 H new ATOM 0 HD21 LEU D 98 30.143 21.848 17.370 1.00 7.96 H new ATOM 0 HD22 LEU D 98 29.781 23.390 17.349 1.00 7.96 H new ATOM 0 HD23 LEU D 98 30.273 22.674 16.025 1.00 7.96 H new ATOM 3248 N LYS D 99 33.412 26.449 14.643 1.00 7.90 N ATOM 3249 CA LYS D 99 33.540 27.822 14.165 1.00 10.80 C ATOM 3250 C LYS D 99 33.135 27.896 12.699 1.00 10.10 C ATOM 3251 O LYS D 99 32.501 28.860 12.268 1.00 11.58 O ATOM 3252 CB LYS D 99 34.983 28.318 14.333 1.00 11.52 C ATOM 3253 CG LYS D 99 35.181 29.808 14.046 1.00 11.75 C ATOM 3254 CD LYS D 99 36.650 30.188 14.178 1.00 12.00 C ATOM 3255 CE LYS D 99 36.868 31.694 14.071 1.00 14.00 C ATOM 3256 NZ LYS D 99 36.395 32.417 15.280 1.00 12.20 N ATOM 0 H LYS D 99 34.151 26.079 14.881 1.00 7.90 H new ATOM 0 HA LYS D 99 32.955 28.390 14.690 1.00 10.80 H new ATOM 0 HB2 LYS D 99 35.272 28.134 15.240 1.00 11.52 H new ATOM 0 HB3 LYS D 99 35.559 27.807 13.743 1.00 11.52 H new ATOM 0 HG2 LYS D 99 34.867 30.015 13.152 1.00 11.75 H new ATOM 0 HG3 LYS D 99 34.649 30.335 14.662 1.00 11.75 H new ATOM 0 HD2 LYS D 99 36.988 29.874 15.031 1.00 12.00 H new ATOM 0 HD3 LYS D 99 37.162 29.739 13.487 1.00 12.00 H new ATOM 0 HE2 LYS D 99 37.812 31.874 13.937 1.00 14.00 H new ATOM 0 HE3 LYS D 99 36.401 32.032 13.291 1.00 14.00 H new ATOM 0 HZ1 LYS D 99 36.526 33.291 15.174 1.00 12.20 H new ATOM 0 HZ2 LYS D 99 35.527 32.259 15.400 1.00 12.20 H new ATOM 0 HZ3 LYS D 99 36.849 32.134 15.992 1.00 12.20 H new ATOM 3257 N LYS D 100 33.498 26.870 11.938 1.00 9.58 N ATOM 3258 CA LYS D 100 33.173 26.822 10.514 1.00 8.52 C ATOM 3259 C LYS D 100 31.714 26.450 10.244 1.00 9.03 C ATOM 3260 O LYS D 100 30.951 27.234 9.671 1.00 8.74 O ATOM 3261 CB LYS D 100 34.087 25.817 9.802 1.00 7.79 C ATOM 3262 CG LYS D 100 33.775 25.605 8.318 1.00 4.95 C ATOM 3263 CD LYS D 100 34.646 24.487 7.743 1.00 7.22 C ATOM 3264 CE LYS D 100 34.401 24.272 6.249 1.00 8.38 C ATOM 3265 NZ LYS D 100 32.998 23.883 5.951 1.00 6.09 N ATOM 0 H LYS D 100 33.935 26.188 12.227 1.00 9.58 H new ATOM 0 HA LYS D 100 33.313 27.718 10.169 1.00 8.52 H new ATOM 0 HB2 LYS D 100 35.005 26.118 9.887 1.00 7.79 H new ATOM 0 HB3 LYS D 100 34.025 24.963 10.258 1.00 7.79 H new ATOM 0 HG2 LYS D 100 32.838 25.382 8.208 1.00 4.95 H new ATOM 0 HG3 LYS D 100 33.930 26.428 7.828 1.00 4.95 H new ATOM 0 HD2 LYS D 100 35.581 24.701 7.888 1.00 7.22 H new ATOM 0 HD3 LYS D 100 34.467 23.662 8.220 1.00 7.22 H new ATOM 0 HE2 LYS D 100 34.616 25.087 5.769 1.00 8.38 H new ATOM 0 HE3 LYS D 100 35.001 23.583 5.922 1.00 8.38 H new ATOM 0 HZ1 LYS D 100 32.959 23.507 5.145 1.00 6.09 H new ATOM 0 HZ2 LYS D 100 32.714 23.302 6.563 1.00 6.09 H new ATOM 0 HZ3 LYS D 100 32.480 24.606 5.966 1.00 6.09 H new ATOM 3266 N ALA D 101 31.332 25.253 10.669 1.00 7.90 N ATOM 3267 CA ALA D 101 29.983 24.749 10.447 1.00 8.03 C ATOM 3268 C ALA D 101 28.827 25.554 11.047 1.00 6.42 C ATOM 3269 O ALA D 101 27.751 25.593 10.463 1.00 6.97 O ATOM 3270 CB ALA D 101 29.897 23.295 10.920 1.00 7.44 C ATOM 0 H ALA D 101 31.846 24.710 11.094 1.00 7.90 H new ATOM 0 HA ALA D 101 29.854 24.836 9.490 1.00 8.03 H new ATOM 0 HB1 ALA D 101 28.999 22.959 10.772 1.00 7.44 H new ATOM 0 HB2 ALA D 101 30.530 22.754 10.422 1.00 7.44 H new ATOM 0 HB3 ALA D 101 30.107 23.249 11.866 1.00 7.44 H new ATOM 3271 N THR D 102 29.021 26.176 12.205 1.00 7.41 N ATOM 3272 CA THR D 102 27.930 26.938 12.816 1.00 8.76 C ATOM 3273 C THR D 102 27.775 28.335 12.237 1.00 8.51 C ATOM 3274 O THR D 102 26.958 29.118 12.716 1.00 9.90 O ATOM 3275 CB THR D 102 28.098 27.084 14.352 1.00 9.75 C ATOM 3276 OG1 THR D 102 29.197 27.958 14.642 1.00 7.77 O ATOM 3277 CG2 THR D 102 28.333 25.728 14.985 1.00 8.59 C ATOM 0 H THR D 102 29.759 26.172 12.647 1.00 7.41 H new ATOM 0 HA THR D 102 27.137 26.418 12.614 1.00 8.76 H new ATOM 0 HB THR D 102 27.285 27.463 14.721 1.00 9.75 H new ATOM 0 HG1 THR D 102 29.899 27.506 14.731 1.00 7.77 H new ATOM 0 HG21 THR D 102 28.436 25.832 15.944 1.00 8.59 H new ATOM 0 HG22 THR D 102 27.576 25.150 14.803 1.00 8.59 H new ATOM 0 HG23 THR D 102 29.138 25.333 14.614 1.00 8.59 H new ATOM 3278 N ASN D 103 28.560 28.652 11.215 1.00 8.31 N ATOM 3279 CA ASN D 103 28.487 29.961 10.586 1.00 7.04 C ATOM 3280 C ASN D 103 28.136 29.850 9.102 1.00 8.95 C ATOM 3281 O ASN D 103 27.415 30.689 8.558 1.00 8.40 O ATOM 3282 CB ASN D 103 29.820 30.696 10.738 1.00 7.87 C ATOM 3283 CG ASN D 103 29.781 32.091 10.138 1.00 10.72 C ATOM 3284 OD1 ASN D 103 29.071 32.967 10.635 1.00 11.54 O ATOM 3285 ND2 ASN D 103 30.533 32.302 9.059 1.00 7.97 N ATOM 0 H ASN D 103 29.143 28.121 10.871 1.00 8.31 H new ATOM 0 HA ASN D 103 27.785 30.461 11.031 1.00 7.04 H new ATOM 0 HB2 ASN D 103 30.048 30.757 11.679 1.00 7.87 H new ATOM 0 HB3 ASN D 103 30.521 30.181 10.309 1.00 7.87 H new ATOM 0 HD21 ASN D 103 30.535 33.074 8.681 1.00 7.97 H new ATOM 0 HD22 ASN D 103 31.016 31.666 8.740 1.00 7.97 H new ATOM 3286 N GLU D 104 28.641 28.811 8.450 1.00 8.68 N ATOM 3287 CA GLU D 104 28.386 28.624 7.025 1.00 11.04 C ATOM 3288 C GLU D 104 26.930 28.247 6.751 1.00 10.63 C ATOM 3289 O GLU D 104 26.203 27.904 7.710 1.00 11.32 O ATOM 3290 CB GLU D 104 29.309 27.539 6.467 1.00 8.26 C ATOM 3291 CG GLU D 104 29.014 26.172 7.047 1.00 8.33 C ATOM 3292 CD GLU D 104 30.078 25.141 6.728 1.00 9.86 C ATOM 3293 OE1 GLU D 104 29.879 23.976 7.125 1.00 7.92 O ATOM 3294 OE2 GLU D 104 31.103 25.493 6.093 1.00 7.36 O ATOM 3295 OXT GLU D 104 26.541 28.291 5.568 1.00 9.93 O ATOM 0 H GLU D 104 29.132 28.204 8.811 1.00 8.68 H new ATOM 0 HA GLU D 104 28.564 29.469 6.584 1.00 11.04 H new ATOM 0 HB2 GLU D 104 29.216 27.504 5.502 1.00 8.26 H new ATOM 0 HB3 GLU D 104 30.231 27.775 6.655 1.00 8.26 H new ATOM 0 HG2 GLU D 104 28.926 26.249 8.010 1.00 8.33 H new ATOM 0 HG3 GLU D 104 28.160 25.861 6.708 1.00 8.33 H new TER 3296 GLU D 104 HETATM 3297 CHA HEM A 105 3.263 -9.814 1.458 1.00 10.29 C HETATM 3298 CHB HEM A 105 7.193 -8.988 4.012 1.00 8.25 C HETATM 3299 CHC HEM A 105 6.393 -4.294 3.681 1.00 8.32 C HETATM 3300 CHD HEM A 105 2.047 -5.239 2.017 1.00 12.70 C HETATM 3301 C1A HEM A 105 4.485 -10.006 2.098 1.00 11.55 C HETATM 3302 C2A HEM A 105 5.055 -11.257 2.324 1.00 10.67 C HETATM 3303 C3A HEM A 105 6.173 -11.016 3.085 1.00 10.67 C HETATM 3304 C4A HEM A 105 6.224 -9.638 3.256 1.00 11.53 C HETATM 3305 CMA HEM A 105 7.119 -12.059 3.644 1.00 9.20 C HETATM 3306 CAA HEM A 105 4.529 -12.622 1.932 1.00 7.62 C HETATM 3307 CBA HEM A 105 3.516 -13.111 2.942 1.00 6.43 C HETATM 3308 CGA HEM A 105 2.900 -14.439 2.591 1.00 7.11 C HETATM 3309 O1A HEM A 105 2.161 -14.976 3.444 1.00 6.88 O HETATM 3310 O2A HEM A 105 3.138 -14.940 1.471 1.00 5.11 O HETATM 3311 C1B HEM A 105 7.320 -7.607 4.161 1.00 10.28 C HETATM 3312 C2B HEM A 105 8.338 -7.012 4.892 1.00 8.44 C HETATM 3313 C3B HEM A 105 8.200 -5.659 4.642 1.00 9.20 C HETATM 3314 C4B HEM A 105 6.998 -5.517 3.960 1.00 11.13 C HETATM 3315 CMB HEM A 105 9.369 -7.710 5.768 1.00 6.36 C HETATM 3316 CAB HEM A 105 9.093 -4.643 4.943 1.00 8.17 C HETATM 3317 CBB HEM A 105 10.482 -4.795 4.578 1.00 8.67 C HETATM 3318 C1C HEM A 105 5.135 -4.130 3.112 1.00 11.55 C HETATM 3319 C2C HEM A 105 4.523 -2.893 2.983 1.00 12.35 C HETATM 3320 C3C HEM A 105 3.207 -3.168 2.640 1.00 10.37 C HETATM 3321 C4C HEM A 105 3.175 -4.532 2.431 1.00 10.67 C HETATM 3322 CMC HEM A 105 5.229 -1.573 3.212 1.00 11.40 C HETATM 3323 CAC HEM A 105 2.129 -2.291 2.483 1.00 12.45 C HETATM 3324 CBC HEM A 105 2.233 -0.967 1.865 1.00 10.77 C HETATM 3325 C1D HEM A 105 1.997 -6.599 1.693 1.00 12.63 C HETATM 3326 C2D HEM A 105 0.918 -7.207 1.074 1.00 13.19 C HETATM 3327 C3D HEM A 105 1.372 -8.454 0.697 1.00 12.23 C HETATM 3328 C4D HEM A 105 2.572 -8.601 1.369 1.00 13.08 C HETATM 3329 CMD HEM A 105 -0.471 -6.609 0.838 1.00 13.44 C HETATM 3330 CAD HEM A 105 0.734 -9.440 -0.269 1.00 12.62 C HETATM 3331 CBD HEM A 105 0.722 -8.904 -1.693 1.00 13.42 C HETATM 3332 CGD HEM A 105 0.271 -9.921 -2.715 1.00 13.57 C HETATM 3333 O1D HEM A 105 -0.807 -10.520 -2.514 1.00 16.26 O HETATM 3334 O2D HEM A 105 0.989 -10.109 -3.724 1.00 12.23 O HETATM 3335 NA HEM A 105 5.229 -8.999 2.601 1.00 12.55 N HETATM 3336 NB HEM A 105 6.484 -6.709 3.605 1.00 10.00 N HETATM 3337 NC HEM A 105 4.364 -5.123 2.651 1.00 10.65 N HETATM 3338 ND HEM A 105 2.995 -7.447 1.920 1.00 12.31 N HETATM 3339 FE HEM A 105 4.747 -7.069 2.753 1.00 10.67 FE HETATM 0 HMA1 HEM A 105 6.638 -12.889 3.786 1.00 9.20 H new HETATM 0 HMA2 HEM A 105 7.482 -11.748 4.488 1.00 9.20 H new HETATM 0 HMA3 HEM A 105 7.843 -12.208 3.017 1.00 9.20 H new HETATM 0 HMB1 HEM A 105 8.985 -8.522 6.135 1.00 6.36 H new HETATM 0 HMB2 HEM A 105 9.631 -7.120 6.492 1.00 6.36 H new HETATM 0 HMB3 HEM A 105 10.148 -7.933 5.235 1.00 6.36 H new HETATM 0 HMC1 HEM A 105 5.930 -1.691 3.871 1.00 11.40 H new HETATM 0 HMC2 HEM A 105 4.591 -0.916 3.533 1.00 11.40 H new HETATM 0 HMC3 HEM A 105 5.618 -1.265 2.378 1.00 11.40 H new HETATM 0 HMD1 HEM A 105 -0.675 -5.975 1.543 1.00 13.44 H new HETATM 0 HMD2 HEM A 105 -1.133 -7.318 0.840 1.00 13.44 H new HETATM 0 HMD3 HEM A 105 -0.487 -6.155 -0.019 1.00 13.44 H new HETATM 0 HBB1 HEM A 105 11.117 -4.091 4.783 1.00 8.67 H new HETATM 0 HBB2 HEM A 105 10.780 -5.601 4.128 1.00 8.67 H new HETATM 0 HBC1 HEM A 105 1.446 -0.406 1.786 1.00 10.77 H new HETATM 0 HBC2 HEM A 105 3.089 -0.652 1.535 1.00 10.77 H new HETATM 0 HBA1 HEM A 105 2.812 -12.450 3.027 1.00 6.43 H new HETATM 0 HBA2 HEM A 105 3.945 -13.182 3.809 1.00 6.43 H new HETATM 0 HAA1 HEM A 105 5.264 -13.252 1.872 1.00 7.62 H new HETATM 0 HAA2 HEM A 105 4.121 -12.577 1.053 1.00 7.62 H new HETATM 0 HBD1 HEM A 105 1.613 -8.598 -1.923 1.00 13.42 H new HETATM 0 HBD2 HEM A 105 0.137 -8.132 -1.735 1.00 13.42 H new HETATM 0 HAD1 HEM A 105 -0.174 -9.629 0.014 1.00 12.62 H new HETATM 0 HAD2 HEM A 105 1.219 -10.279 -0.243 1.00 12.62 H new HETATM 0 HHA HEM A 105 2.873 -10.556 1.055 1.00 10.29 H new HETATM 0 HHB HEM A 105 7.811 -9.521 4.458 1.00 8.25 H new HETATM 0 HHC HEM A 105 6.869 -3.524 3.893 1.00 8.32 H new HETATM 0 HHD HEM A 105 1.252 -4.761 1.950 1.00 12.70 H new HETATM 0 HAB HEM A 105 8.789 -3.840 5.393 1.00 8.17 H new HETATM 0 HAC HEM A 105 1.259 -2.577 2.803 1.00 12.45 H new HETATM 3340 O1 PG4 A2002 10.434 -19.937 -8.300 1.00 40.66 O HETATM 3341 C1 PG4 A2002 11.468 -19.814 -7.321 1.00 42.67 C HETATM 3342 C2 PG4 A2002 12.615 -18.975 -7.876 1.00 40.61 C HETATM 3343 O2 PG4 A2002 12.130 -17.695 -8.268 1.00 36.43 O HETATM 3344 C3 PG4 A2002 13.173 -16.878 -8.792 1.00 38.94 C HETATM 3345 C4 PG4 A2002 12.585 -15.538 -9.193 1.00 40.03 C HETATM 3346 O3 PG4 A2002 11.451 -15.783 -10.020 1.00 41.84 O HETATM 3347 C5 PG4 A2002 10.820 -14.588 -10.446 1.00 39.80 C HETATM 3348 C6 PG4 A2002 9.631 -14.950 -11.314 1.00 39.29 C HETATM 3349 O4 PG4 A2002 8.826 -15.883 -10.614 1.00 40.40 O HETATM 3350 C7 PG4 A2002 7.684 -16.276 -11.363 1.00 39.99 C HETATM 3351 C8 PG4 A2002 6.888 -17.286 -10.546 1.00 40.68 C HETATM 3352 O5 PG4 A2002 7.784 -18.259 -9.989 1.00 38.18 O HETATM 0 HO5 PG4 A2002 7.347 -18.816 -9.537 1.00 38.18 H new HETATM 0 HO1 PG4 A2002 10.521 -19.333 -8.877 1.00 40.66 H new HETATM 0 H82 PG4 A2002 6.404 -16.834 -9.837 1.00 40.68 H new HETATM 0 H81 PG4 A2002 6.228 -17.723 -11.107 1.00 40.68 H new HETATM 0 H72 PG4 A2002 7.135 -15.503 -11.570 1.00 39.99 H new HETATM 0 H71 PG4 A2002 7.955 -16.666 -12.209 1.00 39.99 H new HETATM 0 H62 PG4 A2002 9.117 -14.156 -11.528 1.00 39.29 H new HETATM 0 H61 PG4 A2002 9.931 -15.329 -12.155 1.00 39.29 H new HETATM 0 H52 PG4 A2002 10.531 -14.068 -9.680 1.00 39.80 H new HETATM 0 H51 PG4 A2002 11.444 -14.037 -10.943 1.00 39.80 H new HETATM 0 H42 PG4 A2002 12.328 -15.032 -8.407 1.00 40.03 H new HETATM 0 H41 PG4 A2002 13.243 -15.008 -9.669 1.00 40.03 H new HETATM 0 H32 PG4 A2002 13.869 -16.755 -8.128 1.00 38.94 H new HETATM 0 H31 PG4 A2002 13.584 -17.308 -9.558 1.00 38.94 H new HETATM 0 H22 PG4 A2002 13.308 -18.876 -7.205 1.00 40.61 H new HETATM 0 H21 PG4 A2002 13.017 -19.424 -8.636 1.00 40.61 H new HETATM 0 H12 PG4 A2002 11.115 -19.402 -6.517 1.00 42.67 H new HETATM 0 H11 PG4 A2002 11.792 -20.693 -7.070 1.00 42.67 H new HETATM 3353 CHA HEM B 105 -3.453 8.592 -6.297 1.00 12.48 C HETATM 3354 CHB HEM B 105 -7.270 9.594 -3.606 1.00 13.75 C HETATM 3355 CHC HEM B 105 -5.758 6.462 -0.368 1.00 14.11 C HETATM 3356 CHD HEM B 105 -1.520 6.394 -2.500 1.00 13.77 C HETATM 3357 C1A HEM B 105 -4.674 9.139 -5.894 1.00 13.27 C HETATM 3358 C2A HEM B 105 -5.442 10.044 -6.634 1.00 13.24 C HETATM 3359 C3A HEM B 105 -6.573 10.293 -5.864 1.00 12.98 C HETATM 3360 C4A HEM B 105 -6.378 9.585 -4.682 1.00 13.72 C HETATM 3361 CMA HEM B 105 -7.761 11.166 -6.246 1.00 9.12 C HETATM 3362 CAA HEM B 105 -5.161 10.704 -7.978 1.00 14.40 C HETATM 3363 CBA HEM B 105 -4.255 11.918 -7.859 1.00 12.73 C HETATM 3364 CGA HEM B 105 -3.974 12.588 -9.192 1.00 14.21 C HETATM 3365 O1A HEM B 105 -3.273 13.621 -9.193 1.00 13.15 O HETATM 3366 O2A HEM B 105 -4.448 12.086 -10.238 1.00 14.10 O HETATM 3367 C1B HEM B 105 -7.225 8.744 -2.486 1.00 13.94 C HETATM 3368 C2B HEM B 105 -8.168 8.768 -1.465 1.00 13.89 C HETATM 3369 C3B HEM B 105 -7.801 7.728 -0.619 1.00 13.37 C HETATM 3370 C4B HEM B 105 -6.580 7.306 -1.089 1.00 13.86 C HETATM 3371 CMB HEM B 105 -9.334 9.757 -1.320 1.00 11.96 C HETATM 3372 CAB HEM B 105 -8.482 7.170 0.458 1.00 12.66 C HETATM 3373 CBB HEM B 105 -9.921 6.981 0.461 1.00 15.27 C HETATM 3374 C1C HEM B 105 -4.437 6.162 -0.668 1.00 14.64 C HETATM 3375 C2C HEM B 105 -3.631 5.436 0.189 1.00 15.19 C HETATM 3376 C3C HEM B 105 -2.378 5.520 -0.361 1.00 15.75 C HETATM 3377 C4C HEM B 105 -2.538 6.169 -1.579 1.00 14.28 C HETATM 3378 CMC HEM B 105 -4.016 4.702 1.461 1.00 15.10 C HETATM 3379 CAC HEM B 105 -1.225 4.994 0.217 1.00 15.78 C HETATM 3380 CBC HEM B 105 -1.153 3.546 0.333 1.00 11.74 C HETATM 3381 C1D HEM B 105 -1.684 6.996 -3.758 1.00 14.06 C HETATM 3382 C2D HEM B 105 -0.675 7.034 -4.702 1.00 13.79 C HETATM 3383 C3D HEM B 105 -1.270 7.548 -5.832 1.00 12.73 C HETATM 3384 C4D HEM B 105 -2.548 7.923 -5.453 1.00 11.89 C HETATM 3385 CMD HEM B 105 0.776 6.583 -4.499 1.00 14.12 C HETATM 3386 CAD HEM B 105 -0.680 7.660 -7.225 1.00 10.47 C HETATM 3387 CBD HEM B 105 -0.324 6.305 -7.807 1.00 12.16 C HETATM 3388 CGD HEM B 105 -0.015 6.361 -9.291 1.00 12.55 C HETATM 3389 O1D HEM B 105 0.891 7.127 -9.685 1.00 11.39 O HETATM 3390 O2D HEM B 105 -0.681 5.634 -10.060 1.00 10.76 O HETATM 3391 NA HEM B 105 -5.229 8.864 -4.692 1.00 14.21 N HETATM 3392 NB HEM B 105 -6.269 7.819 -2.292 1.00 13.77 N HETATM 3393 NC HEM B 105 -3.811 6.549 -1.789 1.00 13.90 N HETATM 3394 ND HEM B 105 -2.813 7.579 -4.188 1.00 12.81 N HETATM 3395 FE HEM B 105 -4.532 7.708 -3.239 1.00 9.58 FE HETATM 0 HMA1 HEM B 105 -7.466 11.872 -6.842 1.00 9.12 H new HETATM 0 HMA2 HEM B 105 -8.145 11.558 -5.446 1.00 9.12 H new HETATM 0 HMA3 HEM B 105 -8.430 10.625 -6.694 1.00 9.12 H new HETATM 0 HMB1 HEM B 105 -9.089 10.607 -1.717 1.00 11.96 H new HETATM 0 HMB2 HEM B 105 -9.535 9.885 -0.380 1.00 11.96 H new HETATM 0 HMB3 HEM B 105 -10.116 9.404 -1.772 1.00 11.96 H new HETATM 0 HMC1 HEM B 105 -4.769 5.150 1.878 1.00 15.10 H new HETATM 0 HMC2 HEM B 105 -3.263 4.698 2.073 1.00 15.10 H new HETATM 0 HMC3 HEM B 105 -4.262 3.789 1.246 1.00 15.10 H new HETATM 0 HMD1 HEM B 105 1.028 6.711 -3.571 1.00 14.12 H new HETATM 0 HMD2 HEM B 105 1.361 7.108 -5.068 1.00 14.12 H new HETATM 0 HMD3 HEM B 105 0.859 5.644 -4.730 1.00 14.12 H new HETATM 0 HBB1 HEM B 105 -10.357 6.588 1.233 1.00 15.27 H new HETATM 0 HBB2 HEM B 105 -10.447 7.248 -0.309 1.00 15.27 H new HETATM 0 HBC1 HEM B 105 -0.371 3.129 0.728 1.00 11.74 H new HETATM 0 HBC2 HEM B 105 -1.887 2.997 0.015 1.00 11.74 H new HETATM 0 HBA1 HEM B 105 -3.415 11.649 -7.455 1.00 12.73 H new HETATM 0 HBA2 HEM B 105 -4.664 12.562 -7.260 1.00 12.73 H new HETATM 0 HAA1 HEM B 105 -6.000 10.970 -8.385 1.00 14.40 H new HETATM 0 HAA2 HEM B 105 -4.751 10.056 -8.572 1.00 14.40 H new HETATM 0 HBD1 HEM B 105 -1.060 5.691 -7.658 1.00 12.16 H new HETATM 0 HBD2 HEM B 105 0.444 5.947 -7.335 1.00 12.16 H new HETATM 0 HAD1 HEM B 105 0.114 8.216 -7.194 1.00 10.47 H new HETATM 0 HAD2 HEM B 105 -1.315 8.104 -7.809 1.00 10.47 H new HETATM 0 HHA HEM B 105 -3.220 8.677 -7.193 1.00 12.48 H new HETATM 0 HHB HEM B 105 -7.957 10.220 -3.633 1.00 13.75 H new HETATM 0 HHC HEM B 105 -6.123 6.059 0.386 1.00 14.11 H new HETATM 0 HHD HEM B 105 -0.662 6.124 -2.264 1.00 13.77 H new HETATM 0 HAB HEM B 105 -7.975 6.896 1.238 1.00 12.66 H new HETATM 0 HAC HEM B 105 -0.505 5.566 0.527 1.00 15.78 H new HETATM 3396 C1 PEG B2004 1.770 2.273 4.445 1.00 52.33 C HETATM 3397 O1 PEG B2004 2.058 3.480 3.749 1.00 52.13 O HETATM 3398 C2 PEG B2004 0.510 2.462 5.268 1.00 52.37 C HETATM 3399 O2 PEG B2004 -0.611 2.052 4.495 1.00 52.04 O HETATM 3400 C3 PEG B2004 -1.830 2.206 5.210 1.00 52.55 C HETATM 3401 C4 PEG B2004 -2.979 1.752 4.330 1.00 51.96 C HETATM 3402 O4 PEG B2004 -4.076 2.643 4.499 1.00 53.04 O HETATM 0 HO4 PEG B2004 -4.715 2.397 4.012 1.00 53.04 H new HETATM 0 HO1 PEG B2004 2.756 3.381 3.293 1.00 52.13 H new HETATM 0 H42 PEG B2004 -2.702 1.735 3.401 1.00 51.96 H new HETATM 0 H41 PEG B2004 -3.243 0.848 4.564 1.00 51.96 H new HETATM 0 H32 PEG B2004 -1.807 1.684 6.027 1.00 52.55 H new HETATM 0 H31 PEG B2004 -1.952 3.133 5.469 1.00 52.55 H new HETATM 0 H22 PEG B2004 0.562 1.942 6.085 1.00 52.37 H new HETATM 0 H21 PEG B2004 0.416 3.392 5.529 1.00 52.37 H new HETATM 0 H12 PEG B2004 1.652 1.544 3.816 1.00 52.33 H new HETATM 0 H11 PEG B2004 2.513 2.034 5.021 1.00 52.33 H new HETATM 3403 CHA HEM C 105 24.104 22.303 25.545 1.00 11.43 C HETATM 3404 CHB HEM C 105 28.028 21.522 22.963 1.00 8.77 C HETATM 3405 CHC HEM C 105 27.257 16.817 23.338 1.00 10.20 C HETATM 3406 CHD HEM C 105 22.916 17.702 24.927 1.00 7.88 C HETATM 3407 C1A HEM C 105 25.312 22.530 24.869 1.00 10.51 C HETATM 3408 C2A HEM C 105 25.893 23.776 24.653 1.00 11.28 C HETATM 3409 C3A HEM C 105 27.058 23.526 23.948 1.00 12.03 C HETATM 3410 C4A HEM C 105 27.062 22.166 23.714 1.00 9.78 C HETATM 3411 CMA HEM C 105 28.105 24.544 23.489 1.00 10.69 C HETATM 3412 CAA HEM C 105 25.350 25.149 24.991 1.00 9.37 C HETATM 3413 CBA HEM C 105 24.216 25.521 24.062 1.00 8.84 C HETATM 3414 CGA HEM C 105 23.674 26.917 24.292 1.00 9.46 C HETATM 3415 O1A HEM C 105 22.822 27.350 23.482 1.00 5.81 O HETATM 3416 O2A HEM C 105 24.095 27.571 25.274 1.00 9.25 O HETATM 3417 C1B HEM C 105 28.132 20.147 22.789 1.00 10.09 C HETATM 3418 C2B HEM C 105 29.129 19.553 22.043 1.00 9.58 C HETATM 3419 C3B HEM C 105 29.004 18.191 22.306 1.00 9.32 C HETATM 3420 C4B HEM C 105 27.825 18.057 23.016 1.00 10.65 C HETATM 3421 CMB HEM C 105 30.117 20.276 21.133 1.00 7.75 C HETATM 3422 CAB HEM C 105 29.870 17.148 21.977 1.00 7.48 C HETATM 3423 CBB HEM C 105 31.305 17.289 22.184 1.00 10.19 C HETATM 3424 C1C HEM C 105 25.984 16.622 23.836 1.00 10.36 C HETATM 3425 C2C HEM C 105 25.394 15.370 23.982 1.00 11.55 C HETATM 3426 C3C HEM C 105 24.063 15.646 24.262 1.00 9.09 C HETATM 3427 C4C HEM C 105 24.029 17.020 24.463 1.00 10.70 C HETATM 3428 CMC HEM C 105 26.088 14.003 23.836 1.00 11.12 C HETATM 3429 CAC HEM C 105 22.971 14.765 24.384 1.00 9.06 C HETATM 3430 CBC HEM C 105 23.032 13.497 25.167 1.00 4.16 C HETATM 3431 C1D HEM C 105 22.893 19.033 25.294 1.00 10.47 C HETATM 3432 C2D HEM C 105 21.879 19.560 26.050 1.00 11.44 C HETATM 3433 C3D HEM C 105 22.265 20.865 26.316 1.00 10.63 C HETATM 3434 C4D HEM C 105 23.423 21.072 25.611 1.00 10.94 C HETATM 3435 CMD HEM C 105 20.639 18.786 26.484 1.00 9.49 C HETATM 3436 CAD HEM C 105 21.589 21.861 27.236 1.00 14.00 C HETATM 3437 CBD HEM C 105 21.514 21.340 28.657 1.00 15.43 C HETATM 3438 CGD HEM C 105 21.102 22.398 29.650 1.00 16.51 C HETATM 3439 O1D HEM C 105 20.084 23.079 29.403 1.00 16.54 O HETATM 3440 O2D HEM C 105 21.798 22.538 30.682 1.00 17.43 O HETATM 3441 NA HEM C 105 26.027 21.540 24.302 1.00 12.62 N HETATM 3442 NB HEM C 105 27.295 19.251 23.328 1.00 10.13 N HETATM 3443 NC HEM C 105 25.193 17.632 24.197 1.00 10.76 N HETATM 3444 ND HEM C 105 23.833 19.943 25.004 1.00 11.44 N HETATM 3445 FE HEM C 105 25.553 19.602 24.135 1.00 8.91 FE HETATM 0 HMA1 HEM C 105 28.972 24.113 23.432 1.00 10.69 H new HETATM 0 HMA2 HEM C 105 28.149 25.274 24.127 1.00 10.69 H new HETATM 0 HMA3 HEM C 105 27.859 24.891 22.617 1.00 10.69 H new HETATM 0 HMB1 HEM C 105 30.951 19.782 21.104 1.00 7.75 H new HETATM 0 HMB2 HEM C 105 30.281 21.168 21.477 1.00 7.75 H new HETATM 0 HMB3 HEM C 105 29.747 20.338 20.238 1.00 7.75 H new HETATM 0 HMC1 HEM C 105 25.651 13.355 24.411 1.00 11.12 H new HETATM 0 HMC2 HEM C 105 27.020 14.084 24.091 1.00 11.12 H new HETATM 0 HMC3 HEM C 105 26.031 13.708 22.914 1.00 11.12 H new HETATM 0 HMD1 HEM C 105 20.430 18.110 25.820 1.00 9.49 H new HETATM 0 HMD2 HEM C 105 19.890 19.396 26.570 1.00 9.49 H new HETATM 0 HMD3 HEM C 105 20.807 18.358 27.338 1.00 9.49 H new HETATM 0 HBB1 HEM C 105 31.902 16.560 21.953 1.00 10.19 H new HETATM 0 HBB2 HEM C 105 31.663 18.112 22.553 1.00 10.19 H new HETATM 0 HBC1 HEM C 105 22.252 12.923 25.221 1.00 4.16 H new HETATM 0 HBC2 HEM C 105 23.851 13.247 25.622 1.00 4.16 H new HETATM 0 HBA1 HEM C 105 23.496 24.881 24.171 1.00 8.84 H new HETATM 0 HBA2 HEM C 105 24.523 25.449 23.145 1.00 8.84 H new HETATM 0 HAA1 HEM C 105 26.059 25.808 24.923 1.00 9.37 H new HETATM 0 HAA2 HEM C 105 25.039 25.161 25.910 1.00 9.37 H new HETATM 0 HBD1 HEM C 105 22.379 20.983 28.912 1.00 15.43 H new HETATM 0 HBD2 HEM C 105 20.882 20.605 28.694 1.00 15.43 H new HETATM 0 HAD1 HEM C 105 20.695 22.048 26.911 1.00 14.00 H new HETATM 0 HAD2 HEM C 105 22.077 22.699 27.223 1.00 14.00 H new HETATM 0 HHA HEM C 105 23.721 23.026 25.987 1.00 11.43 H new HETATM 0 HHB HEM C 105 28.662 22.054 22.538 1.00 8.77 H new HETATM 0 HHC HEM C 105 27.782 16.061 23.205 1.00 10.20 H new HETATM 0 HHD HEM C 105 22.121 17.225 24.997 1.00 7.88 H new HETATM 0 HAB HEM C 105 29.515 16.324 21.608 1.00 7.48 H new HETATM 0 HAC HEM C 105 22.140 14.994 23.938 1.00 9.06 H new HETATM 3446 P PO4 C1001 9.993 -8.279 19.850 1.00 11.61 P HETATM 3447 O1 PO4 C1001 10.729 -9.515 19.200 1.00 10.24 O HETATM 3448 O2 PO4 C1001 9.121 -7.547 18.759 1.00 9.21 O HETATM 3449 O3 PO4 C1001 9.049 -8.762 21.019 1.00 9.92 O HETATM 3450 O4 PO4 C1001 11.073 -7.285 20.417 1.00 10.19 O HETATM 3451 O1 PG4 C2001 33.338 32.580 34.789 1.00 49.89 O HETATM 3452 C1 PG4 C2001 34.124 31.816 33.889 1.00 48.66 C HETATM 3453 C2 PG4 C2001 34.879 30.769 34.676 1.00 49.34 C HETATM 3454 O2 PG4 C2001 33.990 29.711 34.996 1.00 48.89 O HETATM 3455 C3 PG4 C2001 34.641 28.690 35.738 1.00 46.85 C HETATM 3456 C4 PG4 C2001 33.638 27.595 36.036 1.00 46.07 C HETATM 3457 O3 PG4 C2001 32.649 28.102 36.923 1.00 45.62 O HETATM 3458 C5 PG4 C2001 31.682 27.113 37.231 1.00 44.43 C HETATM 3459 C6 PG4 C2001 30.651 27.692 38.176 1.00 43.51 C HETATM 3460 O4 PG4 C2001 29.765 28.523 37.445 1.00 42.74 O HETATM 3461 C7 PG4 C2001 28.771 29.088 38.291 1.00 42.57 C HETATM 3462 C8 PG4 C2001 27.853 29.974 37.467 1.00 41.94 C HETATM 3463 O5 PG4 C2001 28.600 31.090 36.980 1.00 41.17 O HETATM 0 HO5 PG4 C2001 28.099 31.584 36.522 1.00 41.17 H new HETATM 0 HO1 PG4 C2001 32.914 33.167 34.363 1.00 49.89 H new HETATM 0 H82 PG4 C2001 27.479 29.472 36.726 1.00 41.94 H new HETATM 0 H81 PG4 C2001 27.108 30.280 38.008 1.00 41.94 H new HETATM 0 H72 PG4 C2001 28.259 28.385 38.720 1.00 42.57 H new HETATM 0 H71 PG4 C2001 29.189 29.606 38.997 1.00 42.57 H new HETATM 0 H62 PG4 C2001 30.158 26.979 38.611 1.00 43.51 H new HETATM 0 H61 PG4 C2001 31.088 28.203 38.876 1.00 43.51 H new HETATM 0 H52 PG4 C2001 31.252 26.803 36.419 1.00 44.43 H new HETATM 0 H51 PG4 C2001 32.111 26.343 37.637 1.00 44.43 H new HETATM 0 H42 PG4 C2001 33.225 27.287 35.214 1.00 46.07 H new HETATM 0 H41 PG4 C2001 34.084 26.831 36.433 1.00 46.07 H new HETATM 0 H32 PG4 C2001 35.389 28.333 35.235 1.00 46.85 H new HETATM 0 H31 PG4 C2001 35.001 29.051 36.563 1.00 46.85 H new HETATM 0 H22 PG4 C2001 35.628 30.434 34.158 1.00 49.34 H new HETATM 0 H21 PG4 C2001 35.246 31.157 35.486 1.00 49.34 H new HETATM 0 H12 PG4 C2001 33.559 31.394 33.223 1.00 48.66 H new HETATM 0 H11 PG4 C2001 34.743 32.390 33.412 1.00 48.66 H new HETATM 3464 CHA HEM D 105 17.410 3.819 33.341 1.00 10.09 C HETATM 3465 CHB HEM D 105 13.643 2.835 30.600 1.00 8.39 C HETATM 3466 CHC HEM D 105 15.183 6.018 27.430 1.00 9.98 C HETATM 3467 CHD HEM D 105 19.438 5.931 29.540 1.00 10.83 C HETATM 3468 C1A HEM D 105 16.187 3.303 32.909 1.00 10.44 C HETATM 3469 C2A HEM D 105 15.399 2.423 33.641 1.00 10.56 C HETATM 3470 C3A HEM D 105 14.309 2.117 32.840 1.00 10.45 C HETATM 3471 C4A HEM D 105 14.517 2.845 31.672 1.00 9.99 C HETATM 3472 CMA HEM D 105 13.165 1.174 33.171 1.00 4.83 C HETATM 3473 CAA HEM D 105 15.704 1.835 35.001 1.00 12.13 C HETATM 3474 CBA HEM D 105 16.846 0.842 34.926 1.00 13.38 C HETATM 3475 CGA HEM D 105 17.081 0.106 36.218 1.00 14.75 C HETATM 3476 O1A HEM D 105 17.809 -0.909 36.181 1.00 15.28 O HETATM 3477 O2A HEM D 105 16.550 0.539 37.267 1.00 15.72 O HETATM 3478 C1B HEM D 105 13.709 3.684 29.492 1.00 10.92 C HETATM 3479 C2B HEM D 105 12.740 3.706 28.486 1.00 10.33 C HETATM 3480 C3B HEM D 105 13.114 4.750 27.649 1.00 10.20 C HETATM 3481 C4B HEM D 105 14.359 5.145 28.113 1.00 11.12 C HETATM 3482 CMB HEM D 105 11.547 2.768 28.363 1.00 9.41 C HETATM 3483 CAB HEM D 105 12.409 5.327 26.587 1.00 9.35 C HETATM 3484 CBB HEM D 105 11.010 5.736 26.736 1.00 8.08 C HETATM 3485 C1C HEM D 105 16.500 6.325 27.751 1.00 12.09 C HETATM 3486 C2C HEM D 105 17.288 7.160 26.966 1.00 12.88 C HETATM 3487 C3C HEM D 105 18.577 6.979 27.432 1.00 12.77 C HETATM 3488 C4C HEM D 105 18.429 6.232 28.620 1.00 12.40 C HETATM 3489 CMC HEM D 105 16.770 8.047 25.843 1.00 12.68 C HETATM 3490 CAC HEM D 105 19.743 7.489 26.858 1.00 12.46 C HETATM 3491 CBC HEM D 105 19.775 8.869 26.332 1.00 9.12 C HETATM 3492 C1D HEM D 105 19.229 5.407 30.828 1.00 12.08 C HETATM 3493 C2D HEM D 105 20.211 5.327 31.806 1.00 12.27 C HETATM 3494 C3D HEM D 105 19.543 4.970 32.966 1.00 12.61 C HETATM 3495 C4D HEM D 105 18.293 4.559 32.543 1.00 12.40 C HETATM 3496 CMD HEM D 105 21.702 5.580 31.640 1.00 14.16 C HETATM 3497 CAD HEM D 105 20.023 5.001 34.404 1.00 12.48 C HETATM 3498 CBD HEM D 105 20.376 6.402 34.884 1.00 11.36 C HETATM 3499 CGD HEM D 105 20.850 6.412 36.326 1.00 11.48 C HETATM 3500 O1D HEM D 105 21.718 5.577 36.665 1.00 9.12 O HETATM 3501 O2D HEM D 105 20.360 7.252 37.115 1.00 8.03 O HETATM 3502 NA HEM D 105 15.652 3.579 31.711 1.00 10.90 N HETATM 3503 NB HEM D 105 14.694 4.575 29.287 1.00 10.87 N HETATM 3504 NC HEM D 105 17.144 5.852 28.819 1.00 11.82 N HETATM 3505 ND HEM D 105 18.053 4.944 31.281 1.00 10.17 N HETATM 3506 FE HEM D 105 16.406 4.727 30.275 1.00 12.37 FE HETATM 0 HMA1 HEM D 105 13.479 0.484 33.777 1.00 4.83 H new HETATM 0 HMA2 HEM D 105 12.838 0.763 32.356 1.00 4.83 H new HETATM 0 HMA3 HEM D 105 12.447 1.672 33.592 1.00 4.83 H new HETATM 0 HMB1 HEM D 105 10.815 3.231 27.926 1.00 9.41 H new HETATM 0 HMB2 HEM D 105 11.267 2.483 29.247 1.00 9.41 H new HETATM 0 HMB3 HEM D 105 11.798 1.992 27.838 1.00 9.41 H new HETATM 0 HMC1 HEM D 105 15.987 7.638 25.442 1.00 12.68 H new HETATM 0 HMC2 HEM D 105 17.460 8.152 25.169 1.00 12.68 H new HETATM 0 HMC3 HEM D 105 16.533 8.917 26.201 1.00 12.68 H new HETATM 0 HMD1 HEM D 105 21.971 5.350 30.737 1.00 14.16 H new HETATM 0 HMD2 HEM D 105 22.195 5.034 32.272 1.00 14.16 H new HETATM 0 HMD3 HEM D 105 21.892 6.517 31.805 1.00 14.16 H new HETATM 0 HBB1 HEM D 105 10.539 6.134 25.988 1.00 8.08 H new HETATM 0 HBB2 HEM D 105 10.555 5.609 27.583 1.00 8.08 H new HETATM 0 HBC1 HEM D 105 20.588 9.218 25.934 1.00 9.12 H new HETATM 0 HBC2 HEM D 105 18.983 9.426 26.384 1.00 9.12 H new HETATM 0 HBA1 HEM D 105 17.658 1.310 34.676 1.00 13.38 H new HETATM 0 HBA2 HEM D 105 16.661 0.199 34.224 1.00 13.38 H new HETATM 0 HAA1 HEM D 105 14.913 1.396 35.351 1.00 12.13 H new HETATM 0 HAA2 HEM D 105 15.931 2.546 35.620 1.00 12.13 H new HETATM 0 HBD1 HEM D 105 19.600 6.977 34.796 1.00 11.36 H new HETATM 0 HBD2 HEM D 105 21.069 6.772 34.315 1.00 11.36 H new HETATM 0 HAD1 HEM D 105 20.801 4.429 34.492 1.00 12.48 H new HETATM 0 HAD2 HEM D 105 19.333 4.632 34.978 1.00 12.48 H new HETATM 0 HHA HEM D 105 17.657 3.660 34.223 1.00 10.09 H new HETATM 0 HHB HEM D 105 12.954 2.211 30.618 1.00 8.39 H new HETATM 0 HHC HEM D 105 14.822 6.441 26.684 1.00 9.98 H new HETATM 0 HHD HEM D 105 20.317 6.090 29.280 1.00 10.83 H new HETATM 0 HAB HEM D 105 12.855 5.459 25.736 1.00 9.35 H new HETATM 0 HAC HEM D 105 20.537 6.934 26.804 1.00 12.46 H new HETATM 3507 P PO4 D1002 30.733 20.904 7.020 1.00 10.72 P HETATM 3508 O1 PO4 D1002 29.824 21.236 5.769 1.00 10.54 O HETATM 3509 O2 PO4 D1002 31.727 19.741 6.647 1.00 13.05 O HETATM 3510 O3 PO4 D1002 31.557 22.178 7.440 1.00 9.09 O HETATM 3511 O4 PO4 D1002 29.818 20.446 8.217 1.00 10.44 O HETATM 3512 C1 PEG D2003 23.096 9.668 23.299 1.00 48.61 C HETATM 3513 O1 PEG D2003 23.643 8.451 22.804 1.00 49.36 O HETATM 3514 C2 PEG D2003 21.997 10.137 22.365 1.00 48.62 C HETATM 3515 O2 PEG D2003 20.749 10.057 23.040 1.00 47.13 O HETATM 3516 C3 PEG D2003 19.677 10.486 22.216 1.00 47.07 C HETATM 3517 C4 PEG D2003 18.380 10.377 22.993 1.00 46.95 C HETATM 3518 O4 PEG D2003 17.413 9.713 22.187 1.00 47.16 O HETATM 0 HO4 PEG D2003 16.691 9.647 22.612 1.00 47.16 H new HETATM 0 HO1 PEG D2003 24.253 8.188 23.318 1.00 49.36 H new HETATM 0 H42 PEG D2003 18.523 9.886 23.817 1.00 46.95 H new HETATM 0 H41 PEG D2003 18.062 11.259 23.240 1.00 46.95 H new HETATM 0 H32 PEG D2003 19.820 11.402 21.931 1.00 47.07 H new HETATM 0 H31 PEG D2003 19.633 9.942 21.414 1.00 47.07 H new HETATM 0 H22 PEG D2003 22.166 11.049 22.080 1.00 48.62 H new HETATM 0 H21 PEG D2003 21.981 9.589 21.565 1.00 48.62 H new HETATM 0 H12 PEG D2003 22.742 9.536 24.192 1.00 48.61 H new HETATM 0 H11 PEG D2003 23.789 10.343 23.365 1.00 48.61 H new HETATM 3519 O HOH A 201 5.488 -7.017 0.793 1.00 10.58 O HETATM 3520 O HOH A 206 8.136 -18.192 11.664 1.00 1.73 O HETATM 3521 O HOH A 209 16.918 -21.433 6.187 1.00 1.71 O HETATM 3522 O HOH A 214 -0.168 -7.342 16.710 1.00 17.02 O HETATM 3523 O HOH A 216 -21.249 3.983 6.059 1.00 8.98 O HETATM 3524 O HOH A 221 -20.543 14.596 -2.156 1.00 11.81 O HETATM 3525 O HOH A 222 -9.955 20.804 -5.536 1.00 16.17 O HETATM 3526 O HOH A 223 -23.961 9.571 4.672 1.00 18.07 O HETATM 3527 O HOH A 228 -20.345 18.954 -1.263 1.00 10.27 O HETATM 3528 O HOH A 244 20.876 -9.778 17.400 1.00 21.06 O HETATM 3529 O HOH A 251 -3.948 -17.909 2.040 1.00 35.27 O HETATM 3530 O HOH A 258 13.354 -24.838 1.234 1.00 20.43 O HETATM 3531 O HOH A 260 -3.201 -15.184 10.454 1.00 18.80 O HETATM 3532 O HOH A 274 -10.710 -3.833 -1.885 1.00 21.06 O HETATM 3533 O HOH A 278 3.653 -20.441 18.207 1.00 40.59 O HETATM 3534 O HOH A 279 -14.882 23.890 -2.629 1.00 15.79 O HETATM 3535 O HOH A 281 14.022 -10.101 -5.867 1.00 11.87 O HETATM 3536 O HOH A 282 8.998 -8.647 -12.318 1.00 19.63 O HETATM 3537 O HOH A 285 -0.157 -7.731 9.208 1.00 11.06 O HETATM 3538 O HOH A 287 9.356 -24.289 -6.074 1.00 23.53 O HETATM 3539 O HOH A 289 5.955 2.547 12.033 1.00 12.24 O HETATM 3540 O HOH A 290 16.035 1.049 7.672 1.00 25.63 O HETATM 3541 O HOH A 291 -1.580 1.213 11.904 1.00 24.99 O HETATM 3542 O HOH A 298 -10.814 -14.389 0.138 1.00 21.38 O HETATM 3543 O HOH A 299 -11.465 29.299 -1.299 1.00 26.25 O HETATM 3544 O HOH A 303 16.557 5.624 8.100 1.00 29.45 O HETATM 3545 O HOH A 305 -0.290 -8.689 20.043 1.00 17.32 O HETATM 3546 O HOH A 306 -7.471 22.555 3.335 1.00 10.66 O HETATM 3547 O HOH A 309 18.983 3.265 12.146 1.00 23.75 O HETATM 3548 O HOH A 317 -21.442 20.709 -4.020 1.00 20.78 O HETATM 3549 O HOH A 318 21.227 -13.874 15.139 1.00 15.86 O HETATM 3550 O HOH A 319 21.097 -16.631 16.393 1.00 16.21 O HETATM 3551 O HOH A 335 0.359 -16.451 -11.273 1.00 17.80 O HETATM 3552 O HOH A 337 -4.468 -4.278 0.071 1.00 31.41 O HETATM 3553 O HOH A 338 7.383 2.665 4.213 1.00 29.54 O HETATM 3554 O HOH A 341 25.541 -9.342 13.287 1.00 24.50 O HETATM 3555 O HOH A 343 -8.458 -4.124 16.627 1.00 33.78 O HETATM 3556 O HOH A 358 8.290 -5.781 1.447 1.00 5.56 O HETATM 3557 O HOH A 359 -7.888 3.131 -1.459 1.00 5.21 O HETATM 3558 O HOH A 364 4.459 -10.688 -2.167 1.00 5.09 O HETATM 3559 O HOH A 367 3.959 -6.398 14.554 1.00 14.91 O HETATM 3560 O HOH A 370 -0.344 -2.201 10.854 1.00 11.79 O HETATM 3561 O HOH A 372 9.071 -21.560 12.093 1.00 17.46 O HETATM 3562 O HOH A 379 -3.244 -13.752 12.720 1.00 19.91 O HETATM 3563 O HOH A 380 -0.367 -15.026 14.307 1.00 7.85 O HETATM 3564 O HOH A 381 1.413 -18.403 13.606 1.00 18.30 O HETATM 3565 O HOH A 387 -18.390 19.935 -0.020 1.00 15.11 O HETATM 3566 O HOH A 390 -2.332 -1.454 6.945 1.00 18.53 O HETATM 3567 O HOH A 397 15.599 -1.306 17.310 1.00 8.38 O HETATM 3568 O HOH A 403 2.137 -17.565 3.830 1.00 19.07 O HETATM 3569 O HOH A 409 -7.426 -0.550 -6.580 1.00 13.21 O HETATM 3570 O HOH A 410 -4.799 -0.124 -6.917 1.00 9.82 O HETATM 3571 O HOH A 417 -13.629 24.850 -0.291 1.00 16.44 O HETATM 3572 O HOH A 420 6.463 -9.028 18.467 1.00 23.10 O HETATM 3573 O HOH A 421 4.238 -12.909 19.246 1.00 18.40 O HETATM 3574 O HOH A 422 10.836 -3.573 -7.310 1.00 10.46 O HETATM 3575 O HOH A 425 13.858 5.661 7.822 1.00 23.69 O HETATM 3576 O HOH A 426 -14.961 3.667 3.856 1.00 19.45 O HETATM 3577 O HOH A 437 -19.261 7.022 7.038 1.00 23.40 O HETATM 3578 O HOH A 438 -21.021 7.777 5.167 1.00 30.80 O HETATM 3579 O HOH A 443 16.395 7.112 10.899 1.00 22.11 O HETATM 3580 O HOH A 445 17.975 -0.311 12.086 1.00 15.06 O HETATM 3581 O HOH A 447 4.510 -14.361 -9.878 1.00 9.95 O HETATM 3582 O HOH A 448 3.430 -16.287 -8.851 1.00 8.46 O HETATM 3583 O HOH A 452 -17.498 1.414 1.232 1.00 19.85 O HETATM 3584 O HOH A 453 3.610 -19.858 15.426 1.00 24.37 O HETATM 3585 O HOH A 455 -5.541 1.573 0.071 1.00 15.60 O HETATM 3586 O HOH A 461 12.133 -0.259 1.610 1.00 23.33 O HETATM 3587 O HOH A 462 9.187 -1.099 2.623 1.00 20.69 O HETATM 3588 O HOH B 202 -5.175 6.152 -4.499 1.00 13.65 O HETATM 3589 O HOH B 207 -3.467 15.863 -10.550 1.00 1.71 O HETATM 3590 O HOH B 208 -12.558 13.908 -17.959 1.00 14.55 O HETATM 3591 O HOH B 213 -16.893 18.685 12.453 1.00 3.92 O HETATM 3592 O HOH B 227 4.769 10.116 6.326 1.00 24.47 O HETATM 3593 O HOH B 229 -18.895 22.047 5.005 1.00 8.98 O HETATM 3594 O HOH B 237 -14.735 5.243 15.436 1.00 34.25 O HETATM 3595 O HOH B 239 2.174 18.397 4.785 1.00 4.97 O HETATM 3596 O HOH B 240 -6.724 -3.621 -13.316 1.00 32.21 O HETATM 3597 O HOH B 241 -9.867 15.754 -18.849 1.00 10.66 O HETATM 3598 O HOH B 242 25.150 -4.508 2.969 1.00 13.04 O HETATM 3599 O HOH B 243 -0.090 -3.789 -12.906 1.00 29.12 O HETATM 3600 O HOH B 246 -21.946 10.841 -9.706 1.00 21.85 O HETATM 3601 O HOH B 248 -19.989 6.000 -9.796 1.00 13.01 O HETATM 3602 O HOH B 254 -4.047 -3.023 -13.149 1.00 16.74 O HETATM 3603 O HOH B 255 11.045 -5.612 0.681 1.00 10.60 O HETATM 3604 O HOH B 256 -21.609 2.149 -8.853 1.00 28.37 O HETATM 3605 O HOH B 257 -3.703 13.877 -21.371 1.00 17.13 O HETATM 3606 O HOH B 262 22.000 0.627 7.274 1.00 23.31 O HETATM 3607 O HOH B 269 -9.288 -3.314 -6.870 1.00 12.24 O HETATM 3608 O HOH B 272 -18.977 6.010 17.989 1.00 36.84 O HETATM 3609 O HOH B 273 -10.300 -4.856 -10.000 1.00 26.63 O HETATM 3610 O HOH B 284 -8.131 5.186 -3.144 1.00 11.20 O HETATM 3611 O HOH B 292 5.442 3.891 -14.661 1.00 18.89 O HETATM 3612 O HOH B 293 11.259 -1.958 -5.401 1.00 25.56 O HETATM 3613 O HOH B 296 -3.695 5.732 -18.005 1.00 4.14 O HETATM 3614 O HOH B 301 5.335 7.535 -3.485 1.00 17.77 O HETATM 3615 O HOH B 307 16.093 0.064 5.170 1.00 25.00 O HETATM 3616 O HOH B 315 -2.171 18.754 -5.781 1.00 13.82 O HETATM 3617 O HOH B 320 2.966 6.480 -7.996 1.00 22.32 O HETATM 3618 O HOH B 322 25.010 -3.874 0.415 1.00 17.74 O HETATM 3619 O HOH B 332 -9.010 1.911 8.707 1.00 24.33 O HETATM 3620 O HOH B 334 22.064 -11.146 -1.186 1.00 27.36 O HETATM 3621 O HOH B 344 8.656 -4.721 -5.766 1.00 4.80 O HETATM 3622 O HOH B 345 -7.624 20.869 5.465 1.00 17.00 O HETATM 3623 O HOH B 346 18.862 -1.162 2.156 1.00 14.70 O HETATM 3624 O HOH B 360 -11.109 4.013 -3.042 1.00 22.10 O HETATM 3625 O HOH B 365 -4.493 6.245 -9.160 1.00 20.25 O HETATM 3626 O HOH B 371 6.658 -20.608 13.895 1.00 20.19 O HETATM 3627 O HOH B 373 -6.118 16.891 -10.663 1.00 16.56 O HETATM 3628 O HOH B 376 -17.547 16.470 13.693 1.00 3.85 O HETATM 3629 O HOH B 377 -15.384 16.039 12.320 1.00 4.87 O HETATM 3630 O HOH B 378 -15.326 13.378 11.190 1.00 23.32 O HETATM 3631 O HOH B 388 -9.298 23.160 -8.197 1.00 22.67 O HETATM 3632 O HOH B 389 -10.964 7.166 -20.104 1.00 5.01 O HETATM 3633 O HOH B 392 3.189 7.941 3.243 1.00 21.87 O HETATM 3634 O HOH B 393 -21.775 18.074 5.035 1.00 10.86 O HETATM 3635 O HOH B 398 -17.354 4.951 15.528 1.00 25.45 O HETATM 3636 O HOH B 399 -19.629 8.194 -11.302 1.00 13.15 O HETATM 3637 O HOH B 400 -22.701 6.738 -8.634 1.00 22.92 O HETATM 3638 O HOH B 404 18.849 0.845 8.536 1.00 22.89 O HETATM 3639 O HOH B 419 6.304 -11.665 18.277 1.00 1.71 O HETATM 3640 O HOH B 428 -1.864 21.673 -6.751 1.00 24.42 O HETATM 3641 O HOH B 433 5.960 -4.621 -5.418 1.00 14.73 O HETATM 3642 O HOH B 436 -17.473 8.739 8.497 1.00 11.83 O HETATM 3643 O HOH B 444 16.906 -0.271 0.952 1.00 22.89 O HETATM 3644 O HOH B 454 -21.492 17.851 7.996 1.00 23.00 O HETATM 3645 O HOH B 456 -7.403 2.779 2.351 1.00 24.78 O HETATM 3646 O HOH B 459 8.745 -2.963 0.815 1.00 15.17 O HETATM 3647 O HOH B 460 6.057 -0.216 -0.376 1.00 23.47 O HETATM 3648 O HOH B 463 -0.084 13.433 -0.022 1.00 10.62 O HETATM 3649 O HOH C 203 26.353 19.631 26.056 1.00 8.61 O HETATM 3650 O HOH C 210 18.720 13.892 20.426 1.00 13.82 O HETATM 3651 O HOH C 211 -4.007 8.803 26.907 1.00 16.84 O HETATM 3652 O HOH C 212 24.342 25.373 7.523 1.00 14.74 O HETATM 3653 O HOH C 215 0.466 4.778 21.894 1.00 5.30 O HETATM 3654 O HOH C 217 -0.295 8.468 20.823 1.00 4.26 O HETATM 3655 O HOH C 218 7.450 -12.412 26.995 1.00 7.37 O HETATM 3656 O HOH C 219 19.810 27.391 12.618 1.00 23.24 O HETATM 3657 O HOH C 220 16.206 31.524 36.144 1.00 18.56 O HETATM 3658 O HOH C 226 37.390 35.068 20.798 1.00 17.82 O HETATM 3659 O HOH C 231 17.400 19.378 40.157 1.00 13.98 O HETATM 3660 O HOH C 236 3.183 11.476 25.279 1.00 28.74 O HETATM 3661 O HOH C 247 20.347 20.051 17.555 1.00 13.69 O HETATM 3662 O HOH C 249 20.740 19.865 9.949 1.00 13.48 O HETATM 3663 O HOH C 253 37.149 22.026 33.400 1.00 23.80 O HETATM 3664 O HOH C 261 15.250 11.075 26.805 1.00 11.83 O HETATM 3665 O HOH C 263 33.181 12.888 25.110 1.00 30.38 O HETATM 3666 O HOH C 264 37.224 8.073 21.185 1.00 22.43 O HETATM 3667 O HOH C 267 21.750 31.081 17.033 1.00 20.79 O HETATM 3668 O HOH C 270 2.579 -7.523 26.984 1.00 8.58 O HETATM 3669 O HOH C 271 27.216 21.060 8.062 1.00 19.69 O HETATM 3670 O HOH C 275 13.965 24.468 14.059 1.00 20.79 O HETATM 3671 O HOH C 277 7.401 14.811 29.811 1.00 30.07 O HETATM 3672 O HOH C 280 22.331 18.722 38.867 1.00 9.83 O HETATM 3673 O HOH C 286 6.441 -13.529 23.364 1.00 14.41 O HETATM 3674 O HOH C 288 41.445 23.666 9.458 1.00 33.44 O HETATM 3675 O HOH C 295 20.990 15.567 40.185 1.00 18.46 O HETATM 3676 O HOH C 302 20.250 20.868 7.464 1.00 19.51 O HETATM 3677 O HOH C 304 26.407 9.698 15.646 1.00 16.57 O HETATM 3678 O HOH C 308 3.220 -10.012 28.327 1.00 18.13 O HETATM 3679 O HOH C 310 40.056 33.156 20.239 1.00 31.06 O HETATM 3680 O HOH C 313 12.022 9.420 25.345 1.00 13.99 O HETATM 3681 O HOH C 316 17.933 33.078 9.550 1.00 12.98 O HETATM 3682 O HOH C 321 5.865 -12.768 31.202 1.00 35.18 O HETATM 3683 O HOH C 325 13.394 21.833 16.130 1.00 24.71 O HETATM 3684 O HOH C 326 18.510 11.592 14.698 1.00 29.44 O HETATM 3685 O HOH C 328 37.981 24.464 35.516 1.00 14.17 O HETATM 3686 O HOH C 329 0.472 -6.809 28.587 1.00 16.25 O HETATM 3687 O HOH C 330 14.769 20.586 9.450 1.00 22.08 O HETATM 3688 O HOH C 331 17.308 29.265 11.656 1.00 23.83 O HETATM 3689 O HOH C 333 19.935 21.132 36.501 1.00 14.98 O HETATM 3690 O HOH C 336 11.482 -16.691 28.274 1.00 19.82 O HETATM 3691 O HOH C 347 5.531 -11.258 29.174 1.00 22.56 O HETATM 3692 O HOH C 348 37.330 33.174 22.410 1.00 17.22 O HETATM 3693 O HOH C 350 17.935 31.866 12.364 1.00 31.37 O HETATM 3694 O HOH C 351 10.622 -8.571 32.364 1.00 15.74 O HETATM 3695 O HOH C 352 7.778 -9.297 31.751 1.00 18.02 O HETATM 3696 O HOH C 355 13.353 13.286 33.230 1.00 5.58 O HETATM 3697 O HOH C 356 15.844 12.536 33.969 1.00 19.44 O HETATM 3698 O HOH C 362 29.427 18.549 25.432 1.00 18.30 O HETATM 3699 O HOH C 366 25.264 23.223 29.110 1.00 20.38 O HETATM 3700 O HOH C 374 -2.965 11.252 28.547 1.00 4.77 O HETATM 3701 O HOH C 382 3.563 11.468 21.330 1.00 32.07 O HETATM 3702 O HOH C 383 6.272 9.044 22.653 1.00 23.00 O HETATM 3703 O HOH C 384 17.335 25.969 13.911 1.00 14.43 O HETATM 3704 O HOH C 385 20.638 27.862 16.947 1.00 18.12 O HETATM 3705 O HOH C 386 21.984 30.728 12.845 1.00 10.00 O HETATM 3706 O HOH C 391 40.985 35.462 20.440 1.00 35.47 O HETATM 3707 O HOH C 395 17.284 20.681 35.939 1.00 22.66 O HETATM 3708 O HOH C 405 36.735 11.197 19.828 1.00 17.80 O HETATM 3709 O HOH C 406 34.867 7.295 19.454 1.00 27.81 O HETATM 3710 O HOH C 407 37.901 7.385 18.927 1.00 24.62 O HETATM 3711 O HOH C 411 1.010 -4.506 29.728 1.00 17.22 O HETATM 3712 O HOH C 412 0.463 -2.136 29.157 1.00 11.41 O HETATM 3713 O HOH C 414 9.543 15.022 31.462 1.00 11.18 O HETATM 3714 O HOH C 415 4.613 13.429 26.680 1.00 23.11 O HETATM 3715 O HOH C 416 7.656 15.557 27.347 1.00 39.02 O HETATM 3716 O HOH C 423 13.394 -9.768 23.545 1.00 13.82 O HETATM 3717 O HOH C 431 3.643 7.931 20.019 1.00 15.99 O HETATM 3718 O HOH C 432 20.788 10.133 19.305 1.00 23.70 O HETATM 3719 O HOH C 434 1.575 5.484 19.514 1.00 16.86 O HETATM 3720 O HOH C 440 18.267 18.974 11.137 1.00 22.25 O HETATM 3721 O HOH C 441 22.695 29.978 23.349 1.00 16.00 O HETATM 3722 O HOH C 442 20.237 17.857 39.754 1.00 28.83 O HETATM 3723 O HOH C 446 31.876 24.077 39.090 1.00 11.36 O HETATM 3724 O HOH C 451 11.312 -11.772 32.547 1.00 23.56 O HETATM 3725 O HOH C 457 13.356 8.875 28.025 1.00 22.41 O HETATM 3726 O HOH C 464 18.735 19.414 30.051 1.00 25.08 O HETATM 3727 O HOH C 465 18.263 17.185 28.530 1.00 15.56 O HETATM 3728 O HOH C 466 15.220 15.127 26.992 1.00 14.63 O HETATM 3729 O HOH D 204 15.734 6.347 31.431 1.00 14.46 O HETATM 3730 O HOH D 205 3.435 -4.196 13.212 1.00 1.71 O HETATM 3731 O HOH D 224 29.424 17.289 32.575 1.00 11.24 O HETATM 3732 O HOH D 225 28.796 30.938 14.551 1.00 7.51 O HETATM 3733 O HOH D 230 27.109 12.747 26.682 1.00 20.55 O HETATM 3734 O HOH D 232 21.214 -1.422 27.296 1.00 15.73 O HETATM 3735 O HOH D 233 22.595 12.173 40.534 1.00 13.39 O HETATM 3736 O HOH D 234 20.141 -7.028 21.282 1.00 16.74 O HETATM 3737 O HOH D 235 27.768 -4.587 28.496 1.00 27.78 O HETATM 3738 O HOH D 238 29.769 13.252 24.215 1.00 4.64 O HETATM 3739 O HOH D 245 46.952 17.846 23.542 1.00 30.16 O HETATM 3740 O HOH D 250 25.026 2.192 20.298 1.00 31.81 O HETATM 3741 O HOH D 252 17.596 -3.266 37.725 1.00 18.85 O HETATM 3742 O HOH D 259 3.554 3.987 18.196 1.00 23.99 O HETATM 3743 O HOH D 265 -1.245 -5.257 21.995 1.00 27.22 O HETATM 3744 O HOH D 266 12.820 15.153 41.134 1.00 10.70 O HETATM 3745 O HOH D 268 32.094 18.125 26.212 1.00 14.94 O HETATM 3746 O HOH D 276 30.624 -1.814 35.485 1.00 28.43 O HETATM 3747 O HOH D 283 25.751 10.223 33.016 1.00 13.36 O HETATM 3748 O HOH D 294 15.786 9.566 44.105 1.00 19.22 O HETATM 3749 O HOH D 297 13.624 -8.260 21.091 1.00 14.71 O HETATM 3750 O HOH D 300 23.859 5.841 35.190 1.00 16.25 O HETATM 3751 O HOH D 311 -0.789 0.727 36.909 1.00 37.67 O HETATM 3752 O HOH D 312 12.927 7.103 30.188 1.00 12.46 O HETATM 3753 O HOH D 314 31.208 31.146 13.589 1.00 15.62 O HETATM 3754 O HOH D 323 28.227 -2.145 41.189 1.00 27.36 O HETATM 3755 O HOH D 324 6.921 13.006 20.810 1.00 24.75 O HETATM 3756 O HOH D 327 25.655 -1.344 20.912 1.00 15.61 O HETATM 3757 O HOH D 339 11.671 15.345 33.684 1.00 7.07 O HETATM 3758 O HOH D 340 9.887 -11.271 34.964 1.00 18.46 O HETATM 3759 O HOH D 342 31.729 -4.670 36.545 1.00 25.37 O HETATM 3760 O HOH D 349 9.988 8.226 29.717 1.00 5.85 O HETATM 3761 O HOH D 353 25.835 0.716 40.036 1.00 15.34 O HETATM 3762 O HOH D 354 0.292 -5.720 32.457 1.00 16.60 O HETATM 3763 O HOH D 363 16.532 6.443 36.247 1.00 9.12 O HETATM 3764 O HOH D 368 5.788 -3.917 14.611 1.00 7.59 O HETATM 3765 O HOH D 369 5.604 -0.971 15.384 1.00 10.27 O HETATM 3766 O HOH D 375 26.685 24.056 8.407 1.00 1.71 O HETATM 3767 O HOH D 394 29.725 15.506 25.966 1.00 16.68 O HETATM 3768 O HOH D 396 16.357 -4.038 22.175 1.00 6.61 O HETATM 3769 O HOH D 401 23.699 8.341 34.651 1.00 20.13 O HETATM 3770 O HOH D 402 24.206 4.440 23.327 1.00 20.15 O HETATM 3771 O HOH D 408 11.002 14.267 42.740 1.00 10.42 O HETATM 3772 O HOH D 413 29.137 -2.558 38.518 1.00 23.63 O HETATM 3773 O HOH D 424 15.339 -11.807 24.068 1.00 15.87 O HETATM 3774 O HOH D 429 6.303 11.048 19.419 1.00 21.74 O HETATM 3775 O HOH D 430 6.038 8.567 20.077 1.00 16.44 O HETATM 3776 O HOH D 435 4.470 8.336 16.043 1.00 12.51 O HETATM 3777 O HOH D 439 22.492 9.931 42.675 1.00 17.34 O HETATM 3778 O HOH D 449 7.538 10.609 37.815 1.00 13.21 O HETATM 3779 O HOH D 450 6.848 10.363 40.721 1.00 27.00 O HETATM 3780 O HOH D 458 4.602 6.421 17.661 1.00 18.75 O CONECT 109 3316 CONECT 129 3323 CONECT 139 3339 CONECT 933 3372 CONECT 953 3379 CONECT 963 3395 CONECT 1757 3422 CONECT 1777 3429 CONECT 1787 3445 CONECT 2581 3483 CONECT 2601 3490 CONECT 2611 3506 CONECT 3297 3301 3328 CONECT 3298 3304 3311 CONECT 3299 3314 3318 CONECT 3300 3321 3325 CONECT 3301 3297 3302 3335 CONECT 3302 3301 3303 3306 CONECT 3303 3302 3304 3305 CONECT 3304 3298 3303 3335 CONECT 3305 3303 CONECT 3306 3302 3307 CONECT 3307 3306 3308 CONECT 3308 3307 3309 3310 CONECT 3309 3308 CONECT 3310 3308 CONECT 3311 3298 3312 3336 CONECT 3312 3311 3313 3315 CONECT 3313 3312 3314 3316 CONECT 3314 3299 3313 3336 CONECT 3315 3312 CONECT 3316 109 3313 3317 CONECT 3317 3316 CONECT 3318 3299 3319 3337 CONECT 3319 3318 3320 3322 CONECT 3320 3319 3321 3323 CONECT 3321 3300 3320 3337 CONECT 3322 3319 CONECT 3323 129 3320 3324 CONECT 3324 3323 CONECT 3325 3300 3326 3338 CONECT 3326 3325 3327 3329 CONECT 3327 3326 3328 3330 CONECT 3328 3297 3327 3338 CONECT 3329 3326 CONECT 3330 3327 3331 CONECT 3331 3330 3332 CONECT 3332 3331 3333 3334 CONECT 3333 3332 CONECT 3334 3332 CONECT 3335 3301 3304 3339 CONECT 3336 3311 3314 3339 CONECT 3337 3318 3321 3339 CONECT 3338 3325 3328 3339 CONECT 3339 139 3335 3336 3337 CONECT 3339 3338 3519 CONECT 3340 3341 CONECT 3341 3340 3342 CONECT 3342 3341 3343 CONECT 3343 3342 3344 CONECT 3344 3343 3345 CONECT 3345 3344 3346 CONECT 3346 3345 3347 CONECT 3347 3346 3348 CONECT 3348 3347 3349 CONECT 3349 3348 3350 CONECT 3350 3349 3351 CONECT 3351 3350 3352 CONECT 3352 3351 CONECT 3353 3357 3384 CONECT 3354 3360 3367 CONECT 3355 3370 3374 CONECT 3356 3377 3381 CONECT 3357 3353 3358 3391 CONECT 3358 3357 3359 3362 CONECT 3359 3358 3360 3361 CONECT 3360 3354 3359 3391 CONECT 3361 3359 CONECT 3362 3358 3363 CONECT 3363 3362 3364 CONECT 3364 3363 3365 3366 CONECT 3365 3364 CONECT 3366 3364 CONECT 3367 3354 3368 3392 CONECT 3368 3367 3369 3371 CONECT 3369 3368 3370 3372 CONECT 3370 3355 3369 3392 CONECT 3371 3368 CONECT 3372 933 3369 3373 CONECT 3373 3372 CONECT 3374 3355 3375 3393 CONECT 3375 3374 3376 3378 CONECT 3376 3375 3377 3379 CONECT 3377 3356 3376 3393 CONECT 3378 3375 CONECT 3379 953 3376 3380 CONECT 3380 3379 CONECT 3381 3356 3382 3394 CONECT 3382 3381 3383 3385 CONECT 3383 3382 3384 3386 CONECT 3384 3353 3383 3394 CONECT 3385 3382 CONECT 3386 3383 3387 CONECT 3387 3386 3388 CONECT 3388 3387 3389 3390 CONECT 3389 3388 CONECT 3390 3388 CONECT 3391 3357 3360 3395 CONECT 3392 3367 3370 3395 CONECT 3393 3374 3377 3395 CONECT 3394 3381 3384 3395 CONECT 3395 963 3391 3392 3393 CONECT 3395 3394 3588 CONECT 3396 3397 3398 CONECT 3397 3396 CONECT 3398 3396 3399 CONECT 3399 3398 3400 CONECT 3400 3399 3401 CONECT 3401 3400 3402 CONECT 3402 3401 CONECT 3403 3407 3434 CONECT 3404 3410 3417 CONECT 3405 3420 3424 CONECT 3406 3427 3431 CONECT 3407 3403 3408 3441 CONECT 3408 3407 3409 3412 CONECT 3409 3408 3410 3411 CONECT 3410 3404 3409 3441 CONECT 3411 3409 CONECT 3412 3408 3413 CONECT 3413 3412 3414 CONECT 3414 3413 3415 3416 CONECT 3415 3414 CONECT 3416 3414 CONECT 3417 3404 3418 3442 CONECT 3418 3417 3419 3421 CONECT 3419 3418 3420 3422 CONECT 3420 3405 3419 3442 CONECT 3421 3418 CONECT 3422 1757 3419 3423 CONECT 3423 3422 CONECT 3424 3405 3425 3443 CONECT 3425 3424 3426 3428 CONECT 3426 3425 3427 3429 CONECT 3427 3406 3426 3443 CONECT 3428 3425 CONECT 3429 1777 3426 3430 CONECT 3430 3429 CONECT 3431 3406 3432 3444 CONECT 3432 3431 3433 3435 CONECT 3433 3432 3434 3436 CONECT 3434 3403 3433 3444 CONECT 3435 3432 CONECT 3436 3433 3437 CONECT 3437 3436 3438 CONECT 3438 3437 3439 3440 CONECT 3439 3438 CONECT 3440 3438 CONECT 3441 3407 3410 3445 CONECT 3442 3417 3420 3445 CONECT 3443 3424 3427 3445 CONECT 3444 3431 3434 3445 CONECT 3445 1787 3441 3442 3443 CONECT 3445 3444 3649 CONECT 3446 3447 3448 3449 3450 CONECT 3447 3446 CONECT 3448 3446 CONECT 3449 3446 CONECT 3450 3446 CONECT 3451 3452 CONECT 3452 3451 3453 CONECT 3453 3452 3454 CONECT 3454 3453 3455 CONECT 3455 3454 3456 CONECT 3456 3455 3457 CONECT 3457 3456 3458 CONECT 3458 3457 3459 CONECT 3459 3458 3460 CONECT 3460 3459 3461 CONECT 3461 3460 3462 CONECT 3462 3461 3463 CONECT 3463 3462 CONECT 3464 3468 3495 CONECT 3465 3471 3478 CONECT 3466 3481 3485 CONECT 3467 3488 3492 CONECT 3468 3464 3469 3502 CONECT 3469 3468 3470 3473 CONECT 3470 3469 3471 3472 CONECT 3471 3465 3470 3502 CONECT 3472 3470 CONECT 3473 3469 3474 CONECT 3474 3473 3475 CONECT 3475 3474 3476 3477 CONECT 3476 3475 CONECT 3477 3475 CONECT 3478 3465 3479 3503 CONECT 3479 3478 3480 3482 CONECT 3480 3479 3481 3483 CONECT 3481 3466 3480 3503 CONECT 3482 3479 CONECT 3483 2581 3480 3484 CONECT 3484 3483 CONECT 3485 3466 3486 3504 CONECT 3486 3485 3487 3489 CONECT 3487 3486 3488 3490 CONECT 3488 3467 3487 3504 CONECT 3489 3486 CONECT 3490 2601 3487 3491 CONECT 3491 3490 CONECT 3492 3467 3493 3505 CONECT 3493 3492 3494 3496 CONECT 3494 3493 3495 3497 CONECT 3495 3464 3494 3505 CONECT 3496 3493 CONECT 3497 3494 3498 CONECT 3498 3497 3499 CONECT 3499 3498 3500 3501 CONECT 3500 3499 CONECT 3501 3499 CONECT 3502 3468 3471 3506 CONECT 3503 3478 3481 3506 CONECT 3504 3485 3488 3506 CONECT 3505 3492 3495 3506 CONECT 3506 2611 3502 3503 3504 CONECT 3506 3505 3729 CONECT 3507 3508 3509 3510 3511 CONECT 3508 3507 CONECT 3509 3507 CONECT 3510 3507 CONECT 3511 3507 CONECT 3512 3513 3514 CONECT 3513 3512 CONECT 3514 3512 3515 CONECT 3515 3514 3516 CONECT 3516 3515 3517 CONECT 3517 3516 3518 CONECT 3518 3517 CONECT 3519 3339 CONECT 3588 3395 CONECT 3649 3445 CONECT 3729 3506 END