USER MOD reduce.3.24.130724 H: found=0, std=0, add=1037, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER CYTOKINE 03-DEC-02 1NBP TITLE CRYSTAL STRUCTURE OF HUMAN INTERLEUKIN-2 Y31C COVALENTLY TITLE 2 MODIFIED AT C31 WITH 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B- TITLE 3 CARBOLIN-2-YL)-PROPAN-1-ONE COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTERLEUKIN-2; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: IL-2, T-CELL GROWTH FACTOR, TCGF, ALDESLEUKIN; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: IL2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PRSET KEYWDS CYTOKINE, FOUR-HELIX BUNDLE, SMALL MOLECULE COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR J.HYDE,A.C.BRAISTED,M.RANDAL,M.R.ARKIN REVDAT 3 24-FEB-09 1NBP 1 VERSN REVDAT 2 25-JAN-05 1NBP 1 JRNL REVDAT 1 18-DEC-02 1NBP 0 JRNL AUTH J.HYDE,A.C.BRAISTED,M.RANDAL,M.R.ARKIN JRNL TITL DISCOVERY AND CHARACTERIZATION OF COOPERATIVE JRNL TITL 2 LIGAND BINDING IN THE ADAPTIVE REGION OF JRNL TITL 3 INTERLEUKIN-2 JRNL REF BIOCHEMISTRY V. 42 6475 2003 JRNL REFN ISSN 0006-2960 JRNL PMID 12767230 JRNL DOI 10.1021/BI034138G REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.1.19 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 3 NUMBER OF REFLECTIONS : 6660 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.230 REMARK 3 R VALUE (WORKING SET) : 0.228 REMARK 3 FREE R VALUE : 0.277 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 342 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 15 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.20 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.27 REMARK 3 REFLECTION IN BIN (WORKING SET) : 613 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2650 REMARK 3 BIN FREE R VALUE SET COUNT : 38 REMARK 3 BIN FREE R VALUE : 0.3320 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 985 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 23 REMARK 3 SOLVENT ATOMS : 49 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 33.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 28.51 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.03000 REMARK 3 B22 (A**2) : 1.10000 REMARK 3 B33 (A**2) : -0.06000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.338 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.249 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.177 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 6.077 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.928 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.893 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1025 ; 0.006 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1382 ; 1.191 ; 2.009 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 118 ; 3.987 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 164 ; 0.058 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 720 ; 0.002 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 474 ; 0.165 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 38 ; 0.094 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 30 ; 0.154 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 4 ; 0.043 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 604 ; 2.224 ; 3.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 983 ; 3.407 ; 6.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 421 ; 3.061 ; 4.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 399 ; 4.315 ; 7.000 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NBP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-DEC-02. REMARK 100 THE RCSB ID CODE IS RCSB017747. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 17-AUG-01 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : YALE MIORRORS REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV REMARK 200 INTENSITY-INTEGRATION SOFTWARE : R-AXIS REMARK 200 DATA SCALING SOFTWARE : D*TREK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 7096 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 200 DATA REDUNDANCY : 3.100 REMARK 200 R MERGE (I) : 0.06900 REMARK 200 R SYM (I) : 0.06900 REMARK 200 FOR THE DATA SET : 17.5000 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 (%) : 96.9 REMARK 200 DATA REDUNDANCY IN SHELL : 3.10 REMARK 200 R MERGE FOR SHELL (I) : 0.25300 REMARK 200 R SYM FOR SHELL (I) : 0.25300 REMARK 200 FOR SHELL : 5.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRY 1M4A REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 43.34 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.19 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM SULFATE, PEG 8K, PH 7.5, REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X+1/2,Y+1/2,-Z REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 24.58000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 42.67500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 24.58000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 42.67500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ALA A 1 REMARK 465 PRO A 2 REMARK 465 THR A 3 REMARK 465 SER A 4 REMARK 465 SER A 5 REMARK 465 SER A 75 REMARK 465 LYS A 76 REMARK 465 ASN A 77 REMARK 465 SER A 99 REMARK 465 GLU A 100 REMARK 465 THR A 101 REMARK 465 THR A 102 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ARG A 81 CG CD NE CZ NH1 NH2 REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 229 DISTANCE = 6.48 ANGSTROMS REMARK 525 HOH A 245 DISTANCE = 6.30 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 134 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MHC A 201 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1M47 RELATED DB: PDB REMARK 900 RELATED ID: 1M48 RELATED DB: PDB REMARK 900 RELATED ID: 1M49 RELATED DB: PDB REMARK 900 RELATED ID: 1M4A RELATED DB: PDB REMARK 900 RELATED ID: 1M4B RELATED DB: PDB REMARK 900 RELATED ID: 1M4C RELATED DB: PDB DBREF 1NBP A 1 133 UNP P60568 IL2_HUMAN 21 153 SEQADV 1NBP CYS A 31 UNP P60568 TYR 51 ENGINEERED SEQRES 1 A 133 ALA PRO THR SER SER SER THR LYS LYS THR GLN LEU GLN SEQRES 2 A 133 LEU GLU HIS LEU LEU LEU ASP LEU GLN MET ILE LEU ASN SEQRES 3 A 133 GLY ILE ASN ASN CYS LYS ASN PRO LYS LEU THR ARG MET SEQRES 4 A 133 LEU THR PHE LYS PHE TYR MET PRO LYS LYS ALA THR GLU SEQRES 5 A 133 LEU LYS HIS LEU GLN CYS LEU GLU GLU GLU LEU LYS PRO SEQRES 6 A 133 LEU GLU GLU VAL LEU ASN LEU ALA GLN SER LYS ASN PHE SEQRES 7 A 133 HIS LEU ARG PRO ARG ASP LEU ILE SER ASN ILE ASN VAL SEQRES 8 A 133 ILE VAL LEU GLU LEU LYS GLY SER GLU THR THR PHE MET SEQRES 9 A 133 CYS GLU TYR ALA ASP GLU THR ALA THR ILE VAL GLU PHE SEQRES 10 A 133 LEU ASN ARG TRP ILE THR PHE CYS GLN SER ILE ILE SER SEQRES 11 A 133 THR LEU THR HET SO4 A 134 5 HET MHC A 201 18 HETNAM SO4 SULFATE ION HETNAM MHC 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-CARBOLIN-2-YL)- HETNAM 2 MHC PROPAN-1-ONE FORMUL 2 SO4 O4 S 2- FORMUL 3 MHC C14 H16 N2 O S FORMUL 4 HOH *49(H2 O) HELIX 1 1 SER A 6 ASN A 29 1 24 HELIX 2 2 LYS A 32 LEU A 40 1 9 HELIX 3 3 GLU A 52 HIS A 55 5 4 HELIX 4 4 LEU A 56 GLU A 61 1 6 HELIX 5 5 GLU A 62 ALA A 73 1 12 HELIX 6 6 ARG A 81 GLY A 98 1 18 HELIX 7 7 THR A 113 SER A 130 1 18 SSBOND *** CYS A 58 CYS A 105 1555 1555 2.03 LINK SG CYS A 31 S1 MHC A 201 1555 1555 2.04 SITE *** AC1 4 LYS A 49 LYS A 54 HIS A 55 THR A 133 SITE *** AC2 8 GLY A 27 CYS A 31 LEU A 70 ALA A 73 SITE *** AC2 8 GLN A 74 PHE A 78 PRO A 82 LEU A 85 CRYST1 49.160 85.350 31.710 90.00 90.00 90.00 P 21 21 2 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 0.020342 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011716 0.000000 0.00000 SCALE3 0.000000 0.000000 0.031536 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 111 THR OG1 : rot -90:sc= 0 USER MOD Set 2.1: A 57 GLN : amide:sc= 1.24 K(o=1.4,f=-0.62) USER MOD Set 2.2: A 97 LYS NZ :NH3+ -159:sc= 0.147 (180deg=0) USER MOD Set 3.1: A 51 THR OG1 : rot 160:sc= 0 USER MOD Set 3.2: A 55 HIS : no HD1:sc= 0.642 K(o=0.64,f=-6.3!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.041) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 16 HIS :FLIP no HE2:sc= -0.112 F(o=-1.2,f=-0.11) USER MOD Single : A 22 GLN :FLIP amide:sc= 0.616 F(o=-0.9,f=0.62) USER MOD Single : A 23 MET CE :methyl -176:sc=-0.00166 (180deg=-0.0309) USER MOD Single : A 26 ASN : amide:sc= 0.407 K(o=0.41,f=-0.13) USER MOD Single : A 29 ASN : amide:sc= 0.914 K(o=0.91,f=-0.78) USER MOD Single : A 30 ASN : amide:sc= 1.23 K(o=1.2,f=-0.38) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc=-0.00612 X(o=-0.0061,f=-0.26) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= -0.0284 (180deg=-0.0749) USER MOD Single : A 37 THR OG1 : rot 71:sc= 1.17 USER MOD Single : A 39 MET CE :methyl 147:sc= -0.218 (180deg=-0.973) USER MOD Single : A 41 THR OG1 : rot -68:sc= 1.33 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -173:sc= -0.326 (180deg=-0.467) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= 1.15 (180deg=-0.0851) USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= 1.87 (180deg=0.798) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= 0.383 F(o=-1.1!,f=0.38) USER MOD Single : A 74 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0.106 K(o=0.11,f=-1.1) USER MOD Single : A 87 SER OG : rot 93:sc= 0.951 USER MOD Single : A 88 ASN : amide:sc= -0.204 X(o=-0.2,f=0.18) USER MOD Single : A 90 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.016) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 162:sc= 0.9 USER MOD Single : A 113 THR OG1 : rot -151:sc= 1.27 USER MOD Single : A 119 ASN :FLIP amide:sc= -0.116 F(o=-0.82,f=-0.12) USER MOD Single : A 123 THR OG1 : rot 90:sc= 0.729 USER MOD Single : A 125 CYS SG : rot 79:sc= 0.0527 USER MOD Single : A 126 GLN : amide:sc= 0.288 X(o=0.29,f=0.63) USER MOD Single : A 127 SER OG : rot 35:sc= 0.886 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot -28:sc= 1.06 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 6 -5.765 34.862 -5.163 1.00 48.22 N ATOM 2 CA SER A 6 -4.329 34.751 -4.763 1.00 47.87 C ATOM 3 C SER A 6 -4.130 35.016 -3.272 1.00 45.08 C ATOM 4 O SER A 6 -3.321 34.353 -2.621 1.00 43.42 O ATOM 5 CB SER A 6 -3.463 35.703 -5.590 1.00 48.92 C ATOM 6 OG SER A 6 -2.085 35.449 -5.375 1.00 49.58 O ATOM 0 HA SER A 6 -4.052 33.838 -4.939 1.00 47.87 H new ATOM 0 HB2 SER A 6 -3.672 35.600 -6.532 1.00 48.92 H new ATOM 0 HB3 SER A 6 -3.667 36.621 -5.353 1.00 48.92 H new ATOM 0 HG SER A 6 -1.627 35.980 -5.838 1.00 49.58 H new ATOM 7 N THR A 7 -4.866 35.991 -2.744 1.00 45.37 N ATOM 8 CA THR A 7 -4.822 36.318 -1.321 1.00 46.14 C ATOM 9 C THR A 7 -5.516 35.224 -0.504 1.00 46.76 C ATOM 10 O THR A 7 -5.094 34.914 0.614 1.00 46.35 O ATOM 11 CB THR A 7 -5.462 37.704 -1.071 1.00 47.00 C ATOM 12 OG1 THR A 7 -4.773 38.692 -1.847 1.00 48.99 O ATOM 13 CG2 THR A 7 -5.225 38.174 0.357 1.00 48.07 C ATOM 0 H THR A 7 -5.405 36.482 -3.201 1.00 45.37 H new ATOM 0 HA THR A 7 -3.897 36.362 -1.033 1.00 46.14 H new ATOM 0 HB THR A 7 -6.404 37.612 -1.282 1.00 47.00 H new ATOM 0 HG1 THR A 7 -5.120 39.445 -1.714 1.00 48.99 H new ATOM 0 HG21 THR A 7 -5.636 39.043 0.484 1.00 48.07 H new ATOM 0 HG22 THR A 7 -5.616 37.538 0.976 1.00 48.07 H new ATOM 0 HG23 THR A 7 -4.271 38.241 0.522 1.00 48.07 H new ATOM 14 N LYS A 8 -6.567 34.642 -1.083 1.00 43.48 N ATOM 15 CA LYS A 8 -7.320 33.555 -0.459 1.00 42.67 C ATOM 16 C LYS A 8 -6.496 32.272 -0.348 1.00 38.08 C ATOM 17 O LYS A 8 -6.573 31.565 0.658 1.00 38.06 O ATOM 18 CB LYS A 8 -8.615 33.283 -1.233 1.00 44.31 C ATOM 19 CG LYS A 8 -9.785 34.172 -0.834 1.00 46.83 C ATOM 20 CD LYS A 8 -10.807 34.274 -1.960 1.00 49.67 C ATOM 21 CE LYS A 8 -11.569 35.592 -1.905 1.00 51.33 C ATOM 22 NZ LYS A 8 -12.576 35.706 -3.000 1.00 50.74 N ATOM 0 H LYS A 8 -6.865 34.870 -1.857 1.00 43.48 H new ATOM 0 HA LYS A 8 -7.539 33.841 0.441 1.00 42.67 H new ATOM 0 HB2 LYS A 8 -8.443 33.399 -2.181 1.00 44.31 H new ATOM 0 HB3 LYS A 8 -8.868 32.356 -1.102 1.00 44.31 H new ATOM 0 HG2 LYS A 8 -10.210 33.814 -0.039 1.00 46.83 H new ATOM 0 HG3 LYS A 8 -9.460 35.057 -0.608 1.00 46.83 H new ATOM 0 HD2 LYS A 8 -10.357 34.195 -2.815 1.00 49.67 H new ATOM 0 HD3 LYS A 8 -11.432 33.535 -1.899 1.00 49.67 H new ATOM 0 HE2 LYS A 8 -12.016 35.670 -1.047 1.00 51.33 H new ATOM 0 HE3 LYS A 8 -10.942 36.329 -1.966 1.00 51.33 H new ATOM 0 HZ1 LYS A 8 -12.999 36.486 -2.935 1.00 50.74 H new ATOM 0 HZ2 LYS A 8 -12.165 35.657 -3.788 1.00 50.74 H new ATOM 0 HZ3 LYS A 8 -13.166 35.043 -2.932 1.00 50.74 H new ATOM 23 N LYS A 9 -5.715 31.983 -1.388 1.00 36.64 N ATOM 24 CA LYS A 9 -4.827 30.821 -1.412 1.00 35.66 C ATOM 25 C LYS A 9 -3.733 30.932 -0.344 1.00 31.64 C ATOM 26 O LYS A 9 -3.406 29.946 0.316 1.00 28.81 O ATOM 27 CB LYS A 9 -4.208 30.650 -2.803 1.00 39.30 C ATOM 28 CG LYS A 9 -3.390 29.376 -2.990 1.00 42.41 C ATOM 29 CD LYS A 9 -1.954 29.700 -3.379 1.00 44.43 C ATOM 30 CE LYS A 9 -1.266 28.501 -4.022 1.00 44.90 C ATOM 31 NZ LYS A 9 -0.333 28.909 -5.116 1.00 46.55 N ATOM 0 H LYS A 9 -5.685 32.459 -2.104 1.00 36.64 H new ATOM 0 HA LYS A 9 -5.358 30.035 -1.209 1.00 35.66 H new ATOM 0 HB2 LYS A 9 -4.919 30.662 -3.463 1.00 39.30 H new ATOM 0 HB3 LYS A 9 -3.639 31.414 -2.985 1.00 39.30 H new ATOM 0 HG2 LYS A 9 -3.397 28.860 -2.169 1.00 42.41 H new ATOM 0 HG3 LYS A 9 -3.797 28.824 -3.676 1.00 42.41 H new ATOM 0 HD2 LYS A 9 -1.946 30.449 -3.996 1.00 44.43 H new ATOM 0 HD3 LYS A 9 -1.458 29.975 -2.592 1.00 44.43 H new ATOM 0 HE2 LYS A 9 -0.774 28.010 -3.345 1.00 44.90 H new ATOM 0 HE3 LYS A 9 -1.937 27.898 -4.379 1.00 44.90 H new ATOM 0 HZ1 LYS A 9 0.049 28.185 -5.466 1.00 46.55 H new ATOM 0 HZ2 LYS A 9 -0.787 29.340 -5.748 1.00 46.55 H new ATOM 0 HZ3 LYS A 9 0.296 29.445 -4.786 1.00 46.55 H new ATOM 32 N THR A 10 -3.186 32.137 -0.186 1.00 27.76 N ATOM 33 CA THR A 10 -2.187 32.435 0.837 1.00 26.36 C ATOM 34 C THR A 10 -2.770 32.263 2.244 1.00 24.79 C ATOM 35 O THR A 10 -2.161 31.613 3.100 1.00 26.59 O ATOM 36 CB THR A 10 -1.627 33.866 0.634 1.00 24.89 C ATOM 37 OG1 THR A 10 -0.815 33.893 -0.544 1.00 30.28 O ATOM 38 CG2 THR A 10 -0.644 34.238 1.735 1.00 23.46 C ATOM 0 H THR A 10 -3.388 32.813 -0.678 1.00 27.76 H new ATOM 0 HA THR A 10 -1.456 31.804 0.747 1.00 26.36 H new ATOM 0 HB THR A 10 -2.394 34.460 0.606 1.00 24.89 H new ATOM 0 HG1 THR A 10 -0.511 34.668 -0.657 1.00 30.28 H new ATOM 0 HG21 THR A 10 -0.311 35.136 1.582 1.00 23.46 H new ATOM 0 HG22 THR A 10 -1.092 34.202 2.595 1.00 23.46 H new ATOM 0 HG23 THR A 10 0.098 33.614 1.731 1.00 23.46 H new ATOM 39 N GLN A 11 -3.949 32.839 2.468 1.00 21.92 N ATOM 40 CA GLN A 11 -4.655 32.693 3.737 1.00 22.45 C ATOM 41 C GLN A 11 -4.869 31.224 4.093 1.00 20.64 C ATOM 42 O GLN A 11 -4.618 30.821 5.228 1.00 24.40 O ATOM 43 CB GLN A 11 -5.996 33.434 3.711 1.00 23.05 C ATOM 44 CG GLN A 11 -6.626 33.588 5.092 1.00 25.15 C ATOM 45 CD GLN A 11 -7.964 34.298 5.069 1.00 25.64 C ATOM 46 OE1 GLN A 11 -8.844 33.957 4.277 1.00 23.19 O ATOM 47 NE2 GLN A 11 -8.125 35.282 5.949 1.00 27.55 N ATOM 0 H GLN A 11 -4.361 33.324 1.890 1.00 21.92 H new ATOM 0 HA GLN A 11 -4.097 33.091 4.423 1.00 22.45 H new ATOM 0 HB2 GLN A 11 -5.865 34.313 3.322 1.00 23.05 H new ATOM 0 HB3 GLN A 11 -6.611 32.956 3.133 1.00 23.05 H new ATOM 0 HG2 GLN A 11 -6.741 32.710 5.487 1.00 25.15 H new ATOM 0 HG3 GLN A 11 -6.017 34.080 5.665 1.00 25.15 H new ATOM 0 HE21 GLN A 11 -7.485 35.489 6.485 1.00 27.55 H new ATOM 0 HE22 GLN A 11 -8.869 35.712 5.982 1.00 27.55 H new ATOM 48 N LEU A 12 -5.308 30.431 3.117 1.00 19.09 N ATOM 49 CA LEU A 12 -5.576 29.007 3.329 1.00 18.30 C ATOM 50 C LEU A 12 -4.330 28.240 3.766 1.00 17.93 C ATOM 51 O LEU A 12 -4.410 27.371 4.636 1.00 17.27 O ATOM 52 CB LEU A 12 -6.175 28.366 2.069 1.00 16.75 C ATOM 53 CG LEU A 12 -7.352 27.376 2.153 1.00 23.96 C ATOM 54 CD1 LEU A 12 -7.213 26.290 1.083 1.00 20.32 C ATOM 55 CD2 LEU A 12 -7.564 26.742 3.536 1.00 17.80 C ATOM 0 H LEU A 12 -5.459 30.702 2.315 1.00 19.09 H new ATOM 0 HA LEU A 12 -6.222 28.951 4.050 1.00 18.30 H new ATOM 0 HB2 LEU A 12 -6.457 29.092 1.490 1.00 16.75 H new ATOM 0 HB3 LEU A 12 -5.451 27.906 1.615 1.00 16.75 H new ATOM 0 HG LEU A 12 -8.147 27.908 1.990 1.00 23.96 H new ATOM 0 HD11 LEU A 12 -7.960 25.674 1.147 1.00 20.32 H new ATOM 0 HD12 LEU A 12 -7.208 26.700 0.204 1.00 20.32 H new ATOM 0 HD13 LEU A 12 -6.383 25.806 1.219 1.00 20.32 H new ATOM 0 HD21 LEU A 12 -8.320 26.135 3.502 1.00 17.80 H new ATOM 0 HD22 LEU A 12 -6.768 26.251 3.793 1.00 17.80 H new ATOM 0 HD23 LEU A 12 -7.738 27.439 4.188 1.00 17.80 H new ATOM 56 N GLN A 13 -3.191 28.563 3.151 1.00 19.28 N ATOM 57 CA GLN A 13 -1.901 27.966 3.501 1.00 20.79 C ATOM 58 C GLN A 13 -1.480 28.293 4.937 1.00 15.64 C ATOM 59 O GLN A 13 -1.023 27.417 5.670 1.00 18.11 O ATOM 60 CB GLN A 13 -0.818 28.415 2.512 1.00 23.63 C ATOM 61 CG GLN A 13 -0.934 27.766 1.137 1.00 30.25 C ATOM 62 CD GLN A 13 0.146 28.217 0.173 1.00 34.61 C ATOM 63 OE1 GLN A 13 0.169 29.376 -0.246 1.00 40.25 O ATOM 64 NE2 GLN A 13 1.036 27.303 -0.190 1.00 32.03 N ATOM 0 H GLN A 13 -3.145 29.139 2.514 1.00 19.28 H new ATOM 0 HA GLN A 13 -2.006 27.003 3.445 1.00 20.79 H new ATOM 0 HB2 GLN A 13 -0.864 29.379 2.411 1.00 23.63 H new ATOM 0 HB3 GLN A 13 0.054 28.210 2.885 1.00 23.63 H new ATOM 0 HG2 GLN A 13 -0.890 26.802 1.236 1.00 30.25 H new ATOM 0 HG3 GLN A 13 -1.803 27.973 0.760 1.00 30.25 H new ATOM 0 HE21 GLN A 13 0.985 26.504 0.125 1.00 32.03 H new ATOM 0 HE22 GLN A 13 1.664 27.509 -0.741 1.00 32.03 H new ATOM 65 N LEU A 14 -1.646 29.553 5.332 1.00 15.37 N ATOM 66 CA LEU A 14 -1.314 29.998 6.686 1.00 16.11 C ATOM 67 C LEU A 14 -2.203 29.341 7.736 1.00 16.16 C ATOM 68 O LEU A 14 -1.754 29.062 8.850 1.00 15.51 O ATOM 69 CB LEU A 14 -1.431 31.520 6.797 1.00 16.74 C ATOM 70 CG LEU A 14 -0.346 32.373 6.134 1.00 17.13 C ATOM 71 CD1 LEU A 14 -0.893 33.761 5.855 1.00 13.77 C ATOM 72 CD2 LEU A 14 0.916 32.448 6.995 1.00 16.71 C ATOM 0 H LEU A 14 -1.954 30.175 4.824 1.00 15.37 H new ATOM 0 HA LEU A 14 -0.397 29.730 6.856 1.00 16.11 H new ATOM 0 HB2 LEU A 14 -2.286 31.781 6.420 1.00 16.74 H new ATOM 0 HB3 LEU A 14 -1.455 31.749 7.739 1.00 16.74 H new ATOM 0 HG LEU A 14 -0.094 31.954 5.296 1.00 17.13 H new ATOM 0 HD11 LEU A 14 -0.206 34.301 5.435 1.00 13.77 H new ATOM 0 HD12 LEU A 14 -1.658 33.694 5.263 1.00 13.77 H new ATOM 0 HD13 LEU A 14 -1.165 34.175 6.689 1.00 13.77 H new ATOM 0 HD21 LEU A 14 1.581 32.994 6.548 1.00 16.71 H new ATOM 0 HD22 LEU A 14 0.699 32.843 7.854 1.00 16.71 H new ATOM 0 HD23 LEU A 14 1.269 31.555 7.130 1.00 16.71 H new ATOM 73 N GLU A 15 -3.460 29.097 7.369 1.00 12.85 N ATOM 74 CA GLU A 15 -4.432 28.465 8.256 1.00 18.39 C ATOM 75 C GLU A 15 -4.101 26.989 8.469 1.00 19.28 C ATOM 76 O GLU A 15 -4.250 26.461 9.575 1.00 18.34 O ATOM 77 CB GLU A 15 -5.849 28.632 7.698 1.00 16.33 C ATOM 78 CG GLU A 15 -6.399 30.044 7.849 1.00 18.80 C ATOM 79 CD GLU A 15 -7.711 30.261 7.117 1.00 21.13 C ATOM 80 OE1 GLU A 15 -8.195 29.324 6.449 1.00 25.19 O ATOM 81 OE2 GLU A 15 -8.260 31.378 7.210 1.00 19.17 O ATOM 0 H GLU A 15 -3.774 29.295 6.593 1.00 12.85 H new ATOM 0 HA GLU A 15 -4.388 28.905 9.119 1.00 18.39 H new ATOM 0 HB2 GLU A 15 -5.849 28.391 6.758 1.00 16.33 H new ATOM 0 HB3 GLU A 15 -6.442 28.012 8.150 1.00 16.33 H new ATOM 0 HG2 GLU A 15 -6.527 30.235 8.791 1.00 18.80 H new ATOM 0 HG3 GLU A 15 -5.743 30.677 7.517 1.00 18.80 H new ATOM 82 N HIS A 16 -3.648 26.332 7.406 1.00 17.23 N ATOM 83 CA HIS A 16 -3.164 24.956 7.497 1.00 18.46 C ATOM 84 C HIS A 16 -1.890 24.878 8.336 1.00 18.17 C ATOM 85 O HIS A 16 -1.706 23.928 9.099 1.00 20.44 O ATOM 86 CB HIS A 16 -2.929 24.375 6.103 1.00 16.83 C ATOM 87 CG HIS A 16 -4.170 23.844 5.460 1.00 18.72 C ATOM 88 ND1 HIS A 16 -5.027 24.406 4.575 1.00 21.75 N flip ATOM 89 CD2 HIS A 16 -4.659 22.581 5.717 1.00 15.91 C flip ATOM 90 CE1 HIS A 16 -6.007 23.481 4.314 1.00 24.34 C flip ATOM 91 NE2 HIS A 16 -5.763 22.388 5.017 1.00 17.73 N flip ATOM 0 H HIS A 16 -3.612 26.668 6.615 1.00 17.23 H new ATOM 0 HA HIS A 16 -3.846 24.426 7.938 1.00 18.46 H new ATOM 0 HB2 HIS A 16 -2.548 25.062 5.534 1.00 16.83 H new ATOM 0 HB3 HIS A 16 -2.275 23.662 6.164 1.00 16.83 H new ATOM 0 HD1 HIS A 16 -4.968 25.195 4.239 1.00 21.75 H new ATOM 0 HD2 HIS A 16 -4.272 21.962 6.293 1.00 15.91 H new ATOM 0 HE1 HIS A 16 -6.726 23.603 3.737 1.00 24.34 H new ATOM 92 N LEU A 17 -1.025 25.883 8.196 1.00 15.23 N ATOM 93 CA LEU A 17 0.190 25.982 9.005 1.00 16.98 C ATOM 94 C LEU A 17 -0.167 26.197 10.472 1.00 17.11 C ATOM 95 O LEU A 17 0.405 25.557 11.360 1.00 18.43 O ATOM 96 CB LEU A 17 1.108 27.110 8.503 1.00 13.77 C ATOM 97 CG LEU A 17 2.398 27.374 9.299 1.00 16.10 C ATOM 98 CD1 LEU A 17 3.297 26.148 9.319 1.00 14.18 C ATOM 99 CD2 LEU A 17 3.158 28.586 8.758 1.00 13.55 C ATOM 0 H LEU A 17 -1.126 26.524 7.632 1.00 15.23 H new ATOM 0 HA LEU A 17 0.675 25.146 8.919 1.00 16.98 H new ATOM 0 HB2 LEU A 17 1.356 26.910 7.587 1.00 13.77 H new ATOM 0 HB3 LEU A 17 0.592 27.931 8.485 1.00 13.77 H new ATOM 0 HG LEU A 17 2.132 27.571 10.211 1.00 16.10 H new ATOM 0 HD11 LEU A 17 4.100 26.344 9.826 1.00 14.18 H new ATOM 0 HD12 LEU A 17 2.826 25.408 9.733 1.00 14.18 H new ATOM 0 HD13 LEU A 17 3.539 25.909 8.411 1.00 14.18 H new ATOM 0 HD21 LEU A 17 3.963 28.723 9.281 1.00 13.55 H new ATOM 0 HD22 LEU A 17 3.398 28.430 7.831 1.00 13.55 H new ATOM 0 HD23 LEU A 17 2.596 29.374 8.818 1.00 13.55 H new ATOM 100 N LEU A 18 -1.118 27.096 10.713 1.00 17.23 N ATOM 101 CA LEU A 18 -1.611 27.364 12.057 1.00 16.61 C ATOM 102 C LEU A 18 -2.081 26.078 12.728 1.00 17.91 C ATOM 103 O LEU A 18 -1.679 25.785 13.853 1.00 17.09 O ATOM 104 CB LEU A 18 -2.737 28.409 12.032 1.00 16.10 C ATOM 105 CG LEU A 18 -3.516 28.658 13.334 1.00 18.67 C ATOM 106 CD1 LEU A 18 -2.611 29.180 14.450 1.00 12.03 C ATOM 107 CD2 LEU A 18 -4.678 29.611 13.104 1.00 15.43 C ATOM 0 H LEU A 18 -1.495 27.567 10.100 1.00 17.23 H new ATOM 0 HA LEU A 18 -0.877 27.727 12.578 1.00 16.61 H new ATOM 0 HB2 LEU A 18 -2.353 29.254 11.749 1.00 16.10 H new ATOM 0 HB3 LEU A 18 -3.374 28.144 11.350 1.00 16.10 H new ATOM 0 HG LEU A 18 -3.871 27.801 13.619 1.00 18.67 H new ATOM 0 HD11 LEU A 18 -3.137 29.324 15.252 1.00 12.03 H new ATOM 0 HD12 LEU A 18 -1.915 28.530 14.633 1.00 12.03 H new ATOM 0 HD13 LEU A 18 -2.207 30.017 14.174 1.00 12.03 H new ATOM 0 HD21 LEU A 18 -5.152 29.751 13.939 1.00 15.43 H new ATOM 0 HD22 LEU A 18 -4.341 30.460 12.778 1.00 15.43 H new ATOM 0 HD23 LEU A 18 -5.284 29.231 12.449 1.00 15.43 H new ATOM 108 N LEU A 19 -2.910 25.308 12.023 1.00 21.87 N ATOM 109 CA LEU A 19 -3.481 24.080 12.578 1.00 20.75 C ATOM 110 C LEU A 19 -2.451 22.974 12.793 1.00 19.62 C ATOM 111 O LEU A 19 -2.588 22.178 13.725 1.00 19.81 O ATOM 112 CB LEU A 19 -4.651 23.581 11.725 1.00 20.68 C ATOM 113 CG LEU A 19 -5.987 24.254 12.051 1.00 25.20 C ATOM 114 CD1 LEU A 19 -6.789 24.471 10.791 1.00 25.31 C ATOM 115 CD2 LEU A 19 -6.782 23.446 13.067 1.00 24.26 C ATOM 0 H LEU A 19 -3.155 25.480 11.217 1.00 21.87 H new ATOM 0 HA LEU A 19 -3.814 24.314 13.458 1.00 20.75 H new ATOM 0 HB2 LEU A 19 -4.444 23.729 10.789 1.00 20.68 H new ATOM 0 HB3 LEU A 19 -4.743 22.623 11.847 1.00 20.68 H new ATOM 0 HG LEU A 19 -5.798 25.118 12.449 1.00 25.20 H new ATOM 0 HD11 LEU A 19 -7.631 24.897 11.013 1.00 25.31 H new ATOM 0 HD12 LEU A 19 -6.290 25.039 10.183 1.00 25.31 H new ATOM 0 HD13 LEU A 19 -6.962 23.616 10.366 1.00 25.31 H new ATOM 0 HD21 LEU A 19 -7.621 23.896 13.253 1.00 24.26 H new ATOM 0 HD22 LEU A 19 -6.962 22.563 12.709 1.00 24.26 H new ATOM 0 HD23 LEU A 19 -6.271 23.364 13.887 1.00 24.26 H new ATOM 116 N ASP A 20 -1.432 22.921 11.934 1.00 15.99 N ATOM 117 CA ASP A 20 -0.322 21.984 12.115 1.00 18.08 C ATOM 118 C ASP A 20 0.450 22.299 13.393 1.00 17.26 C ATOM 119 O ASP A 20 0.801 21.398 14.153 1.00 19.08 O ATOM 120 CB ASP A 20 0.649 22.040 10.937 1.00 18.92 C ATOM 121 CG ASP A 20 0.055 21.510 9.648 1.00 21.86 C ATOM 122 OD1 ASP A 20 -0.883 20.681 9.689 1.00 22.15 O ATOM 123 OD2 ASP A 20 0.478 21.879 8.534 1.00 22.66 O ATOM 0 H ASP A 20 -1.365 23.421 11.238 1.00 15.99 H new ATOM 0 HA ASP A 20 -0.707 21.096 12.173 1.00 18.08 H new ATOM 0 HB2 ASP A 20 0.932 22.958 10.802 1.00 18.92 H new ATOM 0 HB3 ASP A 20 1.443 21.527 11.155 1.00 18.92 H new ATOM 124 N LEU A 21 0.711 23.585 13.611 1.00 15.82 N ATOM 125 CA LEU A 21 1.485 24.045 14.758 1.00 15.75 C ATOM 126 C LEU A 21 0.722 23.832 16.061 1.00 17.73 C ATOM 127 O LEU A 21 1.308 23.405 17.057 1.00 16.26 O ATOM 128 CB LEU A 21 1.880 25.519 14.599 1.00 14.13 C ATOM 129 CG LEU A 21 2.999 25.866 13.610 1.00 17.80 C ATOM 130 CD1 LEU A 21 3.014 27.356 13.338 1.00 15.22 C ATOM 131 CD2 LEU A 21 4.369 25.402 14.107 1.00 14.30 C ATOM 0 H LEU A 21 0.442 24.218 13.094 1.00 15.82 H new ATOM 0 HA LEU A 21 2.296 23.515 14.795 1.00 15.75 H new ATOM 0 HB2 LEU A 21 1.087 26.011 14.334 1.00 14.13 H new ATOM 0 HB3 LEU A 21 2.142 25.851 15.472 1.00 14.13 H new ATOM 0 HG LEU A 21 2.815 25.392 12.784 1.00 17.80 H new ATOM 0 HD11 LEU A 21 3.725 27.564 12.712 1.00 15.22 H new ATOM 0 HD12 LEU A 21 2.162 27.625 12.960 1.00 15.22 H new ATOM 0 HD13 LEU A 21 3.164 27.835 14.168 1.00 15.22 H new ATOM 0 HD21 LEU A 21 5.047 25.639 13.455 1.00 14.30 H new ATOM 0 HD22 LEU A 21 4.569 25.832 14.953 1.00 14.30 H new ATOM 0 HD23 LEU A 21 4.361 24.440 14.228 1.00 14.30 H new ATOM 132 N GLN A 22 -0.582 24.115 16.041 1.00 13.63 N ATOM 133 CA GLN A 22 -1.445 23.898 17.204 1.00 17.44 C ATOM 134 C GLN A 22 -1.513 22.416 17.563 1.00 20.06 C ATOM 135 O GLN A 22 -1.544 22.060 18.740 1.00 19.18 O ATOM 136 CB GLN A 22 -2.849 24.460 16.962 1.00 14.50 C ATOM 137 CG GLN A 22 -2.918 25.984 16.919 1.00 9.94 C ATOM 138 CD GLN A 22 -4.314 26.511 16.604 1.00 17.27 C ATOM 139 OE1 GLN A 22 -5.000 25.863 15.669 1.00 20.99 O flip ATOM 140 NE2 GLN A 22 -4.759 27.497 17.197 1.00 15.19 N flip ATOM 0 H GLN A 22 -0.990 24.437 15.356 1.00 13.63 H new ATOM 0 HA GLN A 22 -1.056 24.375 17.954 1.00 17.44 H new ATOM 0 HB2 GLN A 22 -3.187 24.108 16.124 1.00 14.50 H new ATOM 0 HB3 GLN A 22 -3.439 24.140 17.662 1.00 14.50 H new ATOM 0 HG2 GLN A 22 -2.629 26.340 17.774 1.00 9.94 H new ATOM 0 HG3 GLN A 22 -2.296 26.312 16.251 1.00 9.94 H new ATOM 0 HE21 GLN A 22 -4.283 27.889 17.797 1.00 15.19 H new ATOM 0 HE22 GLN A 22 -5.545 27.792 17.011 1.00 15.19 H new ATOM 141 N MET A 23 -1.513 21.569 16.534 1.00 18.74 N ATOM 142 CA MET A 23 -1.486 20.114 16.677 1.00 21.46 C ATOM 143 C MET A 23 -0.264 19.620 17.458 1.00 21.16 C ATOM 144 O MET A 23 -0.384 18.742 18.316 1.00 21.95 O ATOM 145 CB MET A 23 -1.533 19.468 15.285 1.00 22.00 C ATOM 146 CG MET A 23 -1.354 17.967 15.245 1.00 27.77 C ATOM 147 SD MET A 23 -2.228 17.227 13.848 1.00 36.67 S ATOM 148 CE MET A 23 -3.471 16.328 14.729 1.00 34.00 C ATOM 0 H MET A 23 -1.529 21.831 15.715 1.00 18.74 H new ATOM 0 HA MET A 23 -2.265 19.852 17.192 1.00 21.46 H new ATOM 0 HB2 MET A 23 -2.385 19.685 14.876 1.00 22.00 H new ATOM 0 HB3 MET A 23 -0.843 19.873 14.736 1.00 22.00 H new ATOM 0 HG2 MET A 23 -0.409 17.755 15.185 1.00 27.77 H new ATOM 0 HG3 MET A 23 -1.680 17.580 16.073 1.00 27.77 H new ATOM 0 HE1 MET A 23 -4.001 15.811 14.103 1.00 34.00 H new ATOM 0 HE2 MET A 23 -3.048 15.730 15.365 1.00 34.00 H new ATOM 0 HE3 MET A 23 -4.046 16.950 15.202 1.00 34.00 H new ATOM 149 N ILE A 24 0.906 20.177 17.149 1.00 19.66 N ATOM 150 CA ILE A 24 2.143 19.817 17.843 1.00 19.29 C ATOM 151 C ILE A 24 2.086 20.264 19.304 1.00 17.73 C ATOM 152 O ILE A 24 2.360 19.475 20.209 1.00 19.98 O ATOM 153 CB ILE A 24 3.385 20.408 17.122 1.00 13.95 C ATOM 154 CG1 ILE A 24 3.501 19.843 15.702 1.00 18.06 C ATOM 155 CG2 ILE A 24 4.657 20.102 17.905 1.00 15.08 C ATOM 156 CD1 ILE A 24 4.624 20.452 14.867 1.00 14.21 C ATOM 0 H ILE A 24 1.005 20.771 16.535 1.00 19.66 H new ATOM 0 HA ILE A 24 2.230 18.851 17.825 1.00 19.29 H new ATOM 0 HB ILE A 24 3.273 21.370 17.070 1.00 13.95 H new ATOM 0 HG12 ILE A 24 3.639 18.884 15.758 1.00 18.06 H new ATOM 0 HG13 ILE A 24 2.659 19.982 15.241 1.00 18.06 H new ATOM 0 HG21 ILE A 24 5.421 20.478 17.441 1.00 15.08 H new ATOM 0 HG22 ILE A 24 4.594 20.492 18.791 1.00 15.08 H new ATOM 0 HG23 ILE A 24 4.767 19.141 17.982 1.00 15.08 H new ATOM 0 HD11 ILE A 24 4.631 20.044 13.987 1.00 14.21 H new ATOM 0 HD12 ILE A 24 4.480 21.407 14.779 1.00 14.21 H new ATOM 0 HD13 ILE A 24 5.475 20.292 15.304 1.00 14.21 H new ATOM 157 N LEU A 25 1.716 21.524 19.520 1.00 15.83 N ATOM 158 CA LEU A 25 1.572 22.076 20.864 1.00 18.18 C ATOM 159 C LEU A 25 0.576 21.287 21.715 1.00 20.60 C ATOM 160 O LEU A 25 0.877 20.944 22.862 1.00 20.79 O ATOM 161 CB LEU A 25 1.180 23.559 20.800 1.00 15.31 C ATOM 162 CG LEU A 25 0.950 24.300 22.120 1.00 18.46 C ATOM 163 CD1 LEU A 25 2.234 24.414 22.940 1.00 17.89 C ATOM 164 CD2 LEU A 25 0.353 25.670 21.849 1.00 18.02 C ATOM 0 H LEU A 25 1.541 22.083 18.890 1.00 15.83 H new ATOM 0 HA LEU A 25 2.436 21.999 21.298 1.00 18.18 H new ATOM 0 HB2 LEU A 25 1.875 24.029 20.313 1.00 15.31 H new ATOM 0 HB3 LEU A 25 0.368 23.629 20.275 1.00 15.31 H new ATOM 0 HG LEU A 25 0.323 23.783 22.649 1.00 18.46 H new ATOM 0 HD11 LEU A 25 2.050 24.888 23.766 1.00 17.89 H new ATOM 0 HD12 LEU A 25 2.568 23.526 23.144 1.00 17.89 H new ATOM 0 HD13 LEU A 25 2.901 24.901 22.431 1.00 17.89 H new ATOM 0 HD21 LEU A 25 0.210 26.133 22.689 1.00 18.02 H new ATOM 0 HD22 LEU A 25 0.961 26.185 21.296 1.00 18.02 H new ATOM 0 HD23 LEU A 25 -0.495 25.568 21.388 1.00 18.02 H new ATOM 165 N ASN A 26 -0.595 20.995 21.146 1.00 21.91 N ATOM 166 CA ASN A 26 -1.617 20.195 21.826 1.00 24.07 C ATOM 167 C ASN A 26 -1.142 18.776 22.127 1.00 24.94 C ATOM 168 O ASN A 26 -1.480 18.215 23.171 1.00 28.08 O ATOM 169 CB ASN A 26 -2.920 20.154 21.017 1.00 24.31 C ATOM 170 CG ASN A 26 -3.615 21.506 20.947 1.00 28.05 C ATOM 171 OD1 ASN A 26 -3.480 22.338 21.845 1.00 30.68 O ATOM 172 ND2 ASN A 26 -4.364 21.730 19.871 1.00 28.76 N ATOM 0 H ASN A 26 -0.819 21.254 20.357 1.00 21.91 H new ATOM 0 HA ASN A 26 -1.787 20.633 22.674 1.00 24.07 H new ATOM 0 HB2 ASN A 26 -2.727 19.847 20.117 1.00 24.31 H new ATOM 0 HB3 ASN A 26 -3.522 19.506 21.415 1.00 24.31 H new ATOM 0 HD21 ASN A 26 -4.777 22.479 19.783 1.00 28.76 H new ATOM 0 HD22 ASN A 26 -4.435 21.126 19.263 1.00 28.76 H new ATOM 173 N GLY A 27 -0.361 18.205 21.211 1.00 24.20 N ATOM 174 CA GLY A 27 0.243 16.897 21.411 1.00 23.64 C ATOM 175 C GLY A 27 1.276 16.901 22.528 1.00 26.74 C ATOM 176 O GLY A 27 1.357 15.953 23.307 1.00 24.75 O ATOM 0 H GLY A 27 -0.168 18.569 20.456 1.00 24.20 H new ATOM 0 HA2 GLY A 27 -0.451 16.251 21.617 1.00 23.64 H new ATOM 0 HA3 GLY A 27 0.663 16.608 20.586 1.00 23.64 H new ATOM 177 N ILE A 28 2.061 17.975 22.598 1.00 27.32 N ATOM 178 CA ILE A 28 3.079 18.147 23.636 1.00 33.11 C ATOM 179 C ILE A 28 2.453 18.402 25.015 1.00 34.89 C ATOM 180 O ILE A 28 2.904 17.844 26.017 1.00 34.64 O ATOM 181 CB ILE A 28 4.068 19.277 23.237 1.00 33.54 C ATOM 182 CG1 ILE A 28 5.044 18.769 22.176 1.00 32.93 C ATOM 183 CG2 ILE A 28 4.833 19.817 24.448 1.00 35.45 C ATOM 184 CD1 ILE A 28 5.625 19.855 21.324 1.00 37.60 C ATOM 0 H ILE A 28 2.018 18.629 22.041 1.00 27.32 H new ATOM 0 HA ILE A 28 3.577 17.318 23.709 1.00 33.11 H new ATOM 0 HB ILE A 28 3.548 20.009 22.870 1.00 33.54 H new ATOM 0 HG12 ILE A 28 5.766 18.291 22.614 1.00 32.93 H new ATOM 0 HG13 ILE A 28 4.587 18.131 21.606 1.00 32.93 H new ATOM 0 HG21 ILE A 28 5.439 20.518 24.162 1.00 35.45 H new ATOM 0 HG22 ILE A 28 4.205 20.177 25.094 1.00 35.45 H new ATOM 0 HG23 ILE A 28 5.341 19.099 24.857 1.00 35.45 H new ATOM 0 HD11 ILE A 28 6.233 19.467 20.675 1.00 37.60 H new ATOM 0 HD12 ILE A 28 4.911 20.320 20.860 1.00 37.60 H new ATOM 0 HD13 ILE A 28 6.108 20.482 21.884 1.00 37.60 H new ATOM 185 N ASN A 29 1.411 19.232 25.055 1.00 37.20 N ATOM 186 CA ASN A 29 0.687 19.531 26.293 1.00 36.10 C ATOM 187 C ASN A 29 0.074 18.293 26.956 1.00 38.90 C ATOM 188 O ASN A 29 -0.295 18.332 28.132 1.00 40.76 O ATOM 189 CB ASN A 29 -0.407 20.574 26.038 1.00 36.87 C ATOM 190 CG ASN A 29 0.135 21.993 25.947 1.00 37.54 C ATOM 191 OD1 ASN A 29 1.310 22.251 26.214 1.00 36.66 O ATOM 192 ND2 ASN A 29 -0.731 22.926 25.566 1.00 40.34 N ATOM 0 H ASN A 29 1.103 19.639 24.363 1.00 37.20 H new ATOM 0 HA ASN A 29 1.347 19.884 26.910 1.00 36.10 H new ATOM 0 HB2 ASN A 29 -0.869 20.356 25.213 1.00 36.87 H new ATOM 0 HB3 ASN A 29 -1.063 20.529 26.751 1.00 36.87 H new ATOM 0 HD21 ASN A 29 -0.478 23.745 25.498 1.00 40.34 H new ATOM 0 HD22 ASN A 29 -1.544 22.711 25.387 1.00 40.34 H new ATOM 193 N ASN A 30 -0.028 17.204 26.196 1.00 37.72 N ATOM 194 CA ASN A 30 -0.574 15.947 26.698 1.00 38.24 C ATOM 195 C ASN A 30 0.497 14.921 27.094 1.00 39.91 C ATOM 196 O ASN A 30 0.172 13.784 27.451 1.00 41.28 O ATOM 197 CB ASN A 30 -1.558 15.352 25.686 1.00 41.58 C ATOM 198 CG ASN A 30 -2.911 16.048 25.709 1.00 45.24 C ATOM 199 OD1 ASN A 30 -3.843 15.598 26.375 1.00 46.54 O ATOM 200 ND2 ASN A 30 -3.021 17.154 24.982 1.00 44.56 N ATOM 0 H ASN A 30 0.219 17.175 25.373 1.00 37.72 H new ATOM 0 HA ASN A 30 -1.046 16.162 27.518 1.00 38.24 H new ATOM 0 HB2 ASN A 30 -1.180 15.417 24.795 1.00 41.58 H new ATOM 0 HB3 ASN A 30 -1.680 14.408 25.875 1.00 41.58 H new ATOM 0 HD21 ASN A 30 -3.765 17.585 24.965 1.00 44.56 H new ATOM 0 HD22 ASN A 30 -2.348 17.439 24.529 1.00 44.56 H new ATOM 201 N CYS A 31 1.766 15.327 27.025 1.00 34.79 N ATOM 202 CA CYS A 31 2.873 14.521 27.542 1.00 33.88 C ATOM 203 C CYS A 31 2.801 14.462 29.065 1.00 33.21 C ATOM 204 O CYS A 31 2.293 15.388 29.703 1.00 30.12 O ATOM 205 CB CYS A 31 4.223 15.121 27.138 1.00 34.72 C ATOM 206 SG CYS A 31 4.645 15.009 25.385 1.00 34.96 S ATOM 0 H CYS A 31 2.008 16.076 26.678 1.00 34.79 H new ATOM 0 HA CYS A 31 2.796 13.630 27.166 1.00 33.88 H new ATOM 0 HB2 CYS A 31 4.232 16.056 27.396 1.00 34.72 H new ATOM 0 HB3 CYS A 31 4.919 14.680 27.649 1.00 34.72 H new ATOM 207 N LYS A 32 3.311 13.377 29.642 1.00 31.77 N ATOM 208 CA LYS A 32 3.379 13.247 31.096 1.00 31.69 C ATOM 209 C LYS A 32 4.408 14.232 31.654 1.00 31.74 C ATOM 210 O LYS A 32 5.419 14.517 31.006 1.00 29.11 O ATOM 211 CB LYS A 32 3.703 11.808 31.504 1.00 31.63 C ATOM 212 CG LYS A 32 2.541 10.831 31.305 1.00 33.38 C ATOM 213 CD LYS A 32 2.633 9.636 32.247 1.00 37.80 C ATOM 214 CE LYS A 32 3.118 8.386 31.521 1.00 41.83 C ATOM 215 NZ LYS A 32 2.007 7.651 30.853 1.00 41.84 N ATOM 0 H LYS A 32 3.624 12.703 29.209 1.00 31.77 H new ATOM 0 HA LYS A 32 2.511 13.462 31.473 1.00 31.69 H new ATOM 0 HB2 LYS A 32 4.465 11.499 30.990 1.00 31.63 H new ATOM 0 HB3 LYS A 32 3.967 11.797 32.437 1.00 31.63 H new ATOM 0 HG2 LYS A 32 1.701 11.294 31.452 1.00 33.38 H new ATOM 0 HG3 LYS A 32 2.536 10.518 30.387 1.00 33.38 H new ATOM 0 HD2 LYS A 32 3.239 9.843 32.976 1.00 37.80 H new ATOM 0 HD3 LYS A 32 1.763 9.466 32.641 1.00 37.80 H new ATOM 0 HE2 LYS A 32 3.781 8.636 30.859 1.00 41.83 H new ATOM 0 HE3 LYS A 32 3.558 7.797 32.154 1.00 41.83 H new ATOM 0 HZ1 LYS A 32 2.332 6.931 30.443 1.00 41.84 H new ATOM 0 HZ2 LYS A 32 1.408 7.400 31.462 1.00 41.84 H new ATOM 0 HZ3 LYS A 32 1.617 8.182 30.255 1.00 41.84 H new ATOM 216 N ASN A 33 4.140 14.747 32.852 1.00 30.02 N ATOM 217 CA ASN A 33 4.916 15.852 33.424 1.00 27.76 C ATOM 218 C ASN A 33 6.445 15.689 33.548 1.00 27.72 C ATOM 219 O ASN A 33 7.168 16.633 33.234 1.00 27.56 O ATOM 220 CB ASN A 33 4.298 16.332 34.741 1.00 29.03 C ATOM 221 CG ASN A 33 2.984 17.062 34.532 1.00 30.49 C ATOM 222 OD1 ASN A 33 2.860 17.905 33.643 1.00 33.62 O ATOM 223 ND2 ASN A 33 1.993 16.737 35.350 1.00 31.01 N ATOM 0 H ASN A 33 3.503 14.467 33.358 1.00 30.02 H new ATOM 0 HA ASN A 33 4.843 16.533 32.737 1.00 27.76 H new ATOM 0 HB2 ASN A 33 4.153 15.570 35.324 1.00 29.03 H new ATOM 0 HB3 ASN A 33 4.923 16.920 35.193 1.00 29.03 H new ATOM 0 HD21 ASN A 33 1.227 17.120 35.271 1.00 31.01 H new ATOM 0 HD22 ASN A 33 2.116 16.143 35.960 1.00 31.01 H new ATOM 224 N PRO A 34 6.944 14.534 34.008 1.00 29.98 N ATOM 225 CA PRO A 34 8.398 14.287 34.011 1.00 28.76 C ATOM 226 C PRO A 34 9.014 14.277 32.604 1.00 28.78 C ATOM 227 O PRO A 34 10.082 14.866 32.411 1.00 32.11 O ATOM 228 CB PRO A 34 8.521 12.908 34.670 1.00 26.42 C ATOM 229 CG PRO A 34 7.253 12.749 35.441 1.00 28.02 C ATOM 230 CD PRO A 34 6.205 13.400 34.597 1.00 25.22 C ATOM 0 HA PRO A 34 8.878 14.990 34.476 1.00 28.76 H new ATOM 0 HB2 PRO A 34 8.622 12.207 34.007 1.00 26.42 H new ATOM 0 HB3 PRO A 34 9.296 12.862 35.251 1.00 26.42 H new ATOM 0 HG2 PRO A 34 7.050 11.813 35.594 1.00 28.02 H new ATOM 0 HG3 PRO A 34 7.316 13.172 36.312 1.00 28.02 H new ATOM 0 HD2 PRO A 34 5.861 12.799 33.918 1.00 25.22 H new ATOM 0 HD3 PRO A 34 5.446 13.696 35.124 1.00 25.22 H new ATOM 231 N LYS A 35 8.352 13.623 31.650 1.00 24.67 N ATOM 232 CA LYS A 35 8.774 13.629 30.247 1.00 27.41 C ATOM 233 C LYS A 35 8.758 15.050 29.666 1.00 27.48 C ATOM 234 O LYS A 35 9.703 15.461 28.985 1.00 26.17 O ATOM 235 CB LYS A 35 7.883 12.694 29.415 1.00 29.22 C ATOM 236 CG LYS A 35 8.025 12.839 27.896 1.00 30.10 C ATOM 237 CD LYS A 35 8.702 11.630 27.269 1.00 34.00 C ATOM 238 CE LYS A 35 7.693 10.734 26.566 1.00 38.24 C ATOM 239 NZ LYS A 35 8.342 9.597 25.854 1.00 39.07 N ATOM 0 H LYS A 35 7.642 13.161 31.798 1.00 24.67 H new ATOM 0 HA LYS A 35 9.687 13.304 30.208 1.00 27.41 H new ATOM 0 HB2 LYS A 35 8.085 11.777 29.658 1.00 29.22 H new ATOM 0 HB3 LYS A 35 6.957 12.854 29.656 1.00 29.22 H new ATOM 0 HG2 LYS A 35 7.148 12.959 27.500 1.00 30.10 H new ATOM 0 HG3 LYS A 35 8.539 13.637 27.695 1.00 30.10 H new ATOM 0 HD2 LYS A 35 9.373 11.926 26.634 1.00 34.00 H new ATOM 0 HD3 LYS A 35 9.164 11.124 27.955 1.00 34.00 H new ATOM 0 HE2 LYS A 35 7.063 10.387 27.217 1.00 38.24 H new ATOM 0 HE3 LYS A 35 7.183 11.261 25.931 1.00 38.24 H new ATOM 0 HZ1 LYS A 35 7.735 9.168 25.364 1.00 39.07 H new ATOM 0 HZ2 LYS A 35 8.986 9.907 25.323 1.00 39.07 H new ATOM 0 HZ3 LYS A 35 8.693 9.036 26.449 1.00 39.07 H new ATOM 240 N LEU A 36 7.683 15.785 29.949 1.00 23.43 N ATOM 241 CA LEU A 36 7.518 17.163 29.491 1.00 23.39 C ATOM 242 C LEU A 36 8.606 18.078 30.052 1.00 20.56 C ATOM 243 O LEU A 36 9.173 18.880 29.317 1.00 22.17 O ATOM 244 CB LEU A 36 6.117 17.683 29.850 1.00 22.09 C ATOM 245 CG LEU A 36 5.586 19.026 29.325 1.00 24.13 C ATOM 246 CD1 LEU A 36 5.999 19.307 27.882 1.00 25.12 C ATOM 247 CD2 LEU A 36 4.065 19.072 29.459 1.00 20.78 C ATOM 0 H LEU A 36 7.023 15.494 30.417 1.00 23.43 H new ATOM 0 HA LEU A 36 7.610 17.169 28.525 1.00 23.39 H new ATOM 0 HB2 LEU A 36 5.486 17.003 29.567 1.00 22.09 H new ATOM 0 HB3 LEU A 36 6.074 17.725 30.818 1.00 22.09 H new ATOM 0 HG LEU A 36 5.987 19.722 29.869 1.00 24.13 H new ATOM 0 HD11 LEU A 36 5.639 20.163 27.603 1.00 25.12 H new ATOM 0 HD12 LEU A 36 6.967 19.329 27.821 1.00 25.12 H new ATOM 0 HD13 LEU A 36 5.654 18.608 27.305 1.00 25.12 H new ATOM 0 HD21 LEU A 36 3.736 19.922 29.126 1.00 20.78 H new ATOM 0 HD22 LEU A 36 3.673 18.350 28.944 1.00 20.78 H new ATOM 0 HD23 LEU A 36 3.819 18.974 30.392 1.00 20.78 H new ATOM 248 N THR A 37 8.896 17.942 31.346 1.00 21.83 N ATOM 249 CA THR A 37 9.969 18.694 32.002 1.00 20.35 C ATOM 250 C THR A 37 11.298 18.568 31.247 1.00 22.41 C ATOM 251 O THR A 37 12.001 19.566 31.050 1.00 22.24 O ATOM 252 CB THR A 37 10.131 18.238 33.475 1.00 24.13 C ATOM 253 OG1 THR A 37 8.909 18.463 34.189 1.00 23.39 O ATOM 254 CG2 THR A 37 11.114 19.133 34.218 1.00 29.86 C ATOM 0 H THR A 37 8.474 17.408 31.872 1.00 21.83 H new ATOM 0 HA THR A 37 9.718 19.631 31.991 1.00 20.35 H new ATOM 0 HB THR A 37 10.410 17.309 33.443 1.00 24.13 H new ATOM 0 HG1 THR A 37 8.327 17.917 33.928 1.00 23.39 H new ATOM 0 HG21 THR A 37 11.199 18.829 35.135 1.00 29.86 H new ATOM 0 HG22 THR A 37 11.980 19.094 33.783 1.00 29.86 H new ATOM 0 HG23 THR A 37 10.790 20.047 34.209 1.00 29.86 H new ATOM 255 N ARG A 38 11.625 17.348 30.822 1.00 18.57 N ATOM 256 CA ARG A 38 12.851 17.079 30.070 1.00 19.83 C ATOM 257 C ARG A 38 12.795 17.711 28.683 1.00 20.00 C ATOM 258 O ARG A 38 13.797 18.240 28.194 1.00 17.68 O ATOM 259 CB ARG A 38 13.091 15.569 29.939 1.00 20.25 C ATOM 260 CG ARG A 38 13.505 14.877 31.234 1.00 21.70 C ATOM 261 CD ARG A 38 13.772 13.387 31.084 1.00 24.79 C ATOM 262 NE ARG A 38 12.715 12.586 31.701 1.00 35.68 N ATOM 263 CZ ARG A 38 11.957 11.703 31.056 1.00 35.78 C ATOM 264 NH1 ARG A 38 12.125 11.487 29.755 1.00 35.15 N ATOM 265 NH2 ARG A 38 11.022 11.032 31.715 1.00 37.32 N ATOM 0 H ARG A 38 11.141 16.651 30.962 1.00 18.57 H new ATOM 0 HA ARG A 38 13.587 17.474 30.563 1.00 19.83 H new ATOM 0 HB2 ARG A 38 12.280 15.152 29.608 1.00 20.25 H new ATOM 0 HB3 ARG A 38 13.779 15.419 29.272 1.00 20.25 H new ATOM 0 HG2 ARG A 38 14.304 15.306 31.577 1.00 21.70 H new ATOM 0 HG3 ARG A 38 12.807 15.006 31.896 1.00 21.70 H new ATOM 0 HD2 ARG A 38 13.841 13.163 30.143 1.00 24.79 H new ATOM 0 HD3 ARG A 38 14.625 13.168 31.491 1.00 24.79 H new ATOM 0 HE ARG A 38 12.573 12.694 32.542 1.00 35.68 H new ATOM 0 HH11 ARG A 38 12.729 11.920 29.322 1.00 35.15 H new ATOM 0 HH12 ARG A 38 11.630 10.914 29.347 1.00 35.15 H new ATOM 0 HH21 ARG A 38 10.907 11.168 32.556 1.00 37.32 H new ATOM 0 HH22 ARG A 38 10.530 10.461 31.301 1.00 37.32 H new ATOM 266 N MET A 39 11.616 17.655 28.064 1.00 17.33 N ATOM 267 CA MET A 39 11.391 18.212 26.732 1.00 20.89 C ATOM 268 C MET A 39 11.525 19.733 26.720 1.00 21.28 C ATOM 269 O MET A 39 11.868 20.328 25.693 1.00 25.07 O ATOM 270 CB MET A 39 10.004 17.818 26.222 1.00 21.25 C ATOM 271 CG MET A 39 9.890 16.374 25.747 1.00 25.51 C ATOM 272 SD MET A 39 8.186 15.893 25.380 1.00 34.50 S ATOM 273 CE MET A 39 7.815 16.982 23.980 1.00 23.85 C ATOM 0 H MET A 39 10.919 17.289 28.409 1.00 17.33 H new ATOM 0 HA MET A 39 12.073 17.846 26.147 1.00 20.89 H new ATOM 0 HB2 MET A 39 9.358 17.965 26.930 1.00 21.25 H new ATOM 0 HB3 MET A 39 9.762 18.407 25.490 1.00 21.25 H new ATOM 0 HG2 MET A 39 10.434 16.255 24.953 1.00 25.51 H new ATOM 0 HG3 MET A 39 10.249 15.784 26.428 1.00 25.51 H new ATOM 0 HE1 MET A 39 7.209 16.531 23.371 1.00 23.85 H new ATOM 0 HE2 MET A 39 7.400 17.797 24.304 1.00 23.85 H new ATOM 0 HE3 MET A 39 8.637 17.202 23.514 1.00 23.85 H new ATOM 274 N LEU A 40 11.257 20.354 27.865 1.00 16.03 N ATOM 275 CA LEU A 40 11.306 21.807 27.986 1.00 14.21 C ATOM 276 C LEU A 40 12.724 22.336 28.204 1.00 14.48 C ATOM 277 O LEU A 40 12.938 23.544 28.171 1.00 19.12 O ATOM 278 CB LEU A 40 10.364 22.293 29.100 1.00 16.51 C ATOM 279 CG LEU A 40 8.851 22.159 28.872 1.00 14.29 C ATOM 280 CD1 LEU A 40 8.084 22.470 30.151 1.00 16.56 C ATOM 281 CD2 LEU A 40 8.375 23.053 27.741 1.00 14.28 C ATOM 0 H LEU A 40 11.042 19.946 28.591 1.00 16.03 H new ATOM 0 HA LEU A 40 11.002 22.168 27.139 1.00 14.21 H new ATOM 0 HB2 LEU A 40 10.587 21.809 29.910 1.00 16.51 H new ATOM 0 HB3 LEU A 40 10.558 23.229 29.266 1.00 16.51 H new ATOM 0 HG LEU A 40 8.675 21.239 28.618 1.00 14.29 H new ATOM 0 HD11 LEU A 40 7.132 22.380 29.988 1.00 16.56 H new ATOM 0 HD12 LEU A 40 8.352 21.851 30.848 1.00 16.56 H new ATOM 0 HD13 LEU A 40 8.279 23.377 30.433 1.00 16.56 H new ATOM 0 HD21 LEU A 40 7.418 22.945 27.623 1.00 14.28 H new ATOM 0 HD22 LEU A 40 8.571 23.978 27.955 1.00 14.28 H new ATOM 0 HD23 LEU A 40 8.831 22.808 26.921 1.00 14.28 H new ATOM 282 N THR A 41 13.688 21.436 28.419 1.00 17.31 N ATOM 283 CA THR A 41 15.095 21.834 28.550 1.00 16.51 C ATOM 284 C THR A 41 15.745 22.172 27.202 1.00 19.76 C ATOM 285 O THR A 41 16.778 22.846 27.165 1.00 19.39 O ATOM 286 CB THR A 41 15.944 20.756 29.287 1.00 19.00 C ATOM 287 OG1 THR A 41 16.028 19.567 28.490 1.00 14.17 O ATOM 288 CG2 THR A 41 15.265 20.288 30.584 1.00 17.45 C ATOM 0 H THR A 41 13.549 20.590 28.492 1.00 17.31 H new ATOM 0 HA THR A 41 15.084 22.641 29.088 1.00 16.51 H new ATOM 0 HB THR A 41 16.806 21.166 29.459 1.00 19.00 H new ATOM 0 HG1 THR A 41 15.272 19.204 28.448 1.00 14.17 H new ATOM 0 HG21 THR A 41 15.819 19.619 31.016 1.00 17.45 H new ATOM 0 HG22 THR A 41 15.148 21.045 31.180 1.00 17.45 H new ATOM 0 HG23 THR A 41 14.399 19.905 30.376 1.00 17.45 H new ATOM 289 N PHE A 42 15.151 21.702 26.104 1.00 19.44 N ATOM 290 CA PHE A 42 15.716 21.934 24.770 1.00 19.99 C ATOM 291 C PHE A 42 15.496 23.370 24.313 1.00 20.45 C ATOM 292 O PHE A 42 14.404 23.920 24.469 1.00 22.93 O ATOM 293 CB PHE A 42 15.144 20.954 23.743 1.00 19.18 C ATOM 294 CG PHE A 42 15.412 19.508 24.064 1.00 22.16 C ATOM 295 CD1 PHE A 42 14.360 18.627 24.284 1.00 22.52 C ATOM 296 CD2 PHE A 42 16.714 19.026 24.145 1.00 23.80 C ATOM 297 CE1 PHE A 42 14.599 17.286 24.579 1.00 23.27 C ATOM 298 CE2 PHE A 42 16.963 17.689 24.440 1.00 22.04 C ATOM 299 CZ PHE A 42 15.902 16.818 24.657 1.00 21.96 C ATOM 0 H PHE A 42 14.421 21.247 26.108 1.00 19.44 H new ATOM 0 HA PHE A 42 16.672 21.781 24.835 1.00 19.99 H new ATOM 0 HB2 PHE A 42 14.186 21.090 23.679 1.00 19.18 H new ATOM 0 HB3 PHE A 42 15.518 21.157 22.872 1.00 19.18 H new ATOM 0 HD1 PHE A 42 13.484 18.937 24.234 1.00 22.52 H new ATOM 0 HD2 PHE A 42 17.427 19.605 24.000 1.00 23.80 H new ATOM 0 HE1 PHE A 42 13.886 16.706 24.723 1.00 23.27 H new ATOM 0 HE2 PHE A 42 17.838 17.379 24.492 1.00 22.04 H new ATOM 0 HZ PHE A 42 16.065 15.924 24.854 1.00 21.96 H new ATOM 300 N LYS A 43 16.545 23.969 23.755 1.00 20.24 N ATOM 301 CA LYS A 43 16.511 25.369 23.351 1.00 22.97 C ATOM 302 C LYS A 43 16.045 25.532 21.910 1.00 24.28 C ATOM 303 O LYS A 43 16.501 24.821 21.011 1.00 22.97 O ATOM 304 CB LYS A 43 17.884 26.021 23.536 1.00 27.47 C ATOM 305 CG LYS A 43 18.192 26.425 24.973 1.00 32.99 C ATOM 306 CD LYS A 43 19.540 27.126 25.080 1.00 36.78 C ATOM 307 CE LYS A 43 19.935 27.347 26.531 1.00 40.55 C ATOM 308 NZ LYS A 43 20.114 28.796 26.842 1.00 45.21 N ATOM 0 H LYS A 43 17.294 23.575 23.601 1.00 20.24 H new ATOM 0 HA LYS A 43 15.869 25.816 23.924 1.00 22.97 H new ATOM 0 HB2 LYS A 43 18.568 25.405 23.230 1.00 27.47 H new ATOM 0 HB3 LYS A 43 17.937 26.807 22.971 1.00 27.47 H new ATOM 0 HG2 LYS A 43 17.494 27.013 25.302 1.00 32.99 H new ATOM 0 HG3 LYS A 43 18.190 25.637 25.539 1.00 32.99 H new ATOM 0 HD2 LYS A 43 20.219 26.595 24.635 1.00 36.78 H new ATOM 0 HD3 LYS A 43 19.501 27.979 24.620 1.00 36.78 H new ATOM 0 HE2 LYS A 43 19.254 26.973 27.112 1.00 40.55 H new ATOM 0 HE3 LYS A 43 20.760 26.872 26.718 1.00 40.55 H new ATOM 0 HZ1 LYS A 43 20.344 28.890 27.697 1.00 45.21 H new ATOM 0 HZ2 LYS A 43 20.754 29.134 26.324 1.00 45.21 H new ATOM 0 HZ3 LYS A 43 19.351 29.229 26.691 1.00 45.21 H new ATOM 309 N PHE A 44 15.129 26.474 21.709 1.00 22.13 N ATOM 310 CA PHE A 44 14.648 26.830 20.381 1.00 21.34 C ATOM 311 C PHE A 44 14.913 28.305 20.137 1.00 19.83 C ATOM 312 O PHE A 44 14.820 29.121 21.058 1.00 20.62 O ATOM 313 CB PHE A 44 13.160 26.512 20.240 1.00 21.34 C ATOM 314 CG PHE A 44 12.878 25.053 20.029 1.00 21.30 C ATOM 315 CD1 PHE A 44 12.704 24.545 18.746 1.00 20.02 C ATOM 316 CD2 PHE A 44 12.800 24.181 21.113 1.00 20.18 C ATOM 317 CE1 PHE A 44 12.450 23.190 18.543 1.00 19.62 C ATOM 318 CE2 PHE A 44 12.550 22.826 20.921 1.00 18.71 C ATOM 319 CZ PHE A 44 12.374 22.329 19.633 1.00 19.60 C ATOM 0 H PHE A 44 14.767 26.927 22.344 1.00 22.13 H new ATOM 0 HA PHE A 44 15.121 26.306 19.716 1.00 21.34 H new ATOM 0 HB2 PHE A 44 12.695 26.812 21.037 1.00 21.34 H new ATOM 0 HB3 PHE A 44 12.798 27.015 19.494 1.00 21.34 H new ATOM 0 HD1 PHE A 44 12.758 25.117 18.014 1.00 20.02 H new ATOM 0 HD2 PHE A 44 12.916 24.509 21.975 1.00 20.18 H new ATOM 0 HE1 PHE A 44 12.332 22.862 17.681 1.00 19.62 H new ATOM 0 HE2 PHE A 44 12.501 22.253 21.652 1.00 18.71 H new ATOM 0 HZ PHE A 44 12.206 21.424 19.501 1.00 19.60 H new ATOM 320 N TYR A 45 15.254 28.638 18.897 1.00 17.03 N ATOM 321 CA TYR A 45 15.664 29.994 18.553 1.00 20.28 C ATOM 322 C TYR A 45 14.532 30.805 17.930 1.00 22.90 C ATOM 323 O TYR A 45 13.824 30.333 17.039 1.00 21.50 O ATOM 324 CB TYR A 45 16.929 29.974 17.689 1.00 19.68 C ATOM 325 CG TYR A 45 18.135 29.537 18.486 1.00 23.06 C ATOM 326 CD1 TYR A 45 19.032 30.471 19.006 1.00 24.13 C ATOM 327 CD2 TYR A 45 18.354 28.188 18.765 1.00 24.78 C ATOM 328 CE1 TYR A 45 20.130 30.067 19.763 1.00 26.34 C ATOM 329 CE2 TYR A 45 19.440 27.777 19.522 1.00 28.83 C ATOM 330 CZ TYR A 45 20.326 28.716 20.014 1.00 28.23 C ATOM 331 OH TYR A 45 21.401 28.291 20.759 1.00 34.02 O ATOM 0 H TYR A 45 15.254 28.088 18.235 1.00 17.03 H new ATOM 0 HA TYR A 45 15.885 30.455 19.377 1.00 20.28 H new ATOM 0 HB2 TYR A 45 16.800 29.373 16.938 1.00 19.68 H new ATOM 0 HB3 TYR A 45 17.085 30.858 17.321 1.00 19.68 H new ATOM 0 HD1 TYR A 45 18.895 31.377 18.845 1.00 24.13 H new ATOM 0 HD2 TYR A 45 17.760 27.552 18.437 1.00 24.78 H new ATOM 0 HE1 TYR A 45 20.727 30.697 20.097 1.00 26.34 H new ATOM 0 HE2 TYR A 45 19.572 26.873 19.698 1.00 28.83 H new ATOM 0 HH TYR A 45 21.383 27.454 20.824 1.00 34.02 H new ATOM 332 N MET A 46 14.376 32.027 18.434 1.00 24.93 N ATOM 333 CA MET A 46 13.240 32.886 18.123 1.00 25.66 C ATOM 334 C MET A 46 13.637 34.029 17.204 1.00 27.40 C ATOM 335 O MET A 46 14.740 34.569 17.329 1.00 28.39 O ATOM 336 CB MET A 46 12.658 33.466 19.414 1.00 25.85 C ATOM 337 CG MET A 46 12.308 32.430 20.461 1.00 27.56 C ATOM 338 SD MET A 46 10.883 31.462 19.972 1.00 33.00 S ATOM 339 CE MET A 46 9.638 32.215 20.997 1.00 31.08 C ATOM 0 H MET A 46 14.939 32.385 18.976 1.00 24.93 H new ATOM 0 HA MET A 46 12.577 32.342 17.669 1.00 25.66 H new ATOM 0 HB2 MET A 46 13.297 34.090 19.793 1.00 25.85 H new ATOM 0 HB3 MET A 46 11.860 33.974 19.197 1.00 25.85 H new ATOM 0 HG2 MET A 46 13.067 31.843 20.603 1.00 27.56 H new ATOM 0 HG3 MET A 46 12.127 32.870 21.306 1.00 27.56 H new ATOM 0 HE1 MET A 46 8.811 31.714 20.922 1.00 31.08 H new ATOM 0 HE2 MET A 46 9.934 32.213 21.921 1.00 31.08 H new ATOM 0 HE3 MET A 46 9.489 33.129 20.707 1.00 31.08 H new ATOM 340 N PRO A 47 12.736 34.417 16.298 1.00 26.72 N ATOM 341 CA PRO A 47 12.986 35.561 15.417 1.00 26.80 C ATOM 342 C PRO A 47 13.010 36.856 16.220 1.00 27.64 C ATOM 343 O PRO A 47 12.255 36.991 17.186 1.00 26.76 O ATOM 344 CB PRO A 47 11.781 35.543 14.473 1.00 25.52 C ATOM 345 CG PRO A 47 10.705 34.877 15.254 1.00 27.12 C ATOM 346 CD PRO A 47 11.412 33.816 16.050 1.00 28.17 C ATOM 0 HA PRO A 47 13.837 35.509 14.955 1.00 26.80 H new ATOM 0 HB2 PRO A 47 11.524 36.441 14.212 1.00 25.52 H new ATOM 0 HB3 PRO A 47 11.978 35.056 13.658 1.00 25.52 H new ATOM 0 HG2 PRO A 47 10.249 35.507 15.834 1.00 27.12 H new ATOM 0 HG3 PRO A 47 10.033 34.491 14.670 1.00 27.12 H new ATOM 0 HD2 PRO A 47 10.947 33.618 16.878 1.00 28.17 H new ATOM 0 HD3 PRO A 47 11.482 32.983 15.557 1.00 28.17 H new ATOM 347 N LYS A 48 13.885 37.781 15.833 1.00 30.48 N ATOM 348 CA LYS A 48 13.908 39.115 16.418 1.00 32.63 C ATOM 349 C LYS A 48 12.606 39.820 16.063 1.00 32.19 C ATOM 350 O LYS A 48 11.999 40.490 16.901 1.00 29.96 O ATOM 351 CB LYS A 48 15.103 39.909 15.886 1.00 35.34 C ATOM 352 CG LYS A 48 15.758 40.815 16.915 1.00 39.90 C ATOM 353 CD LYS A 48 17.172 41.193 16.497 1.00 42.54 C ATOM 354 CE LYS A 48 18.190 40.795 17.557 1.00 43.33 C ATOM 355 NZ LYS A 48 19.552 41.309 17.237 1.00 44.71 N ATOM 0 H LYS A 48 14.480 37.652 15.225 1.00 30.48 H new ATOM 0 HA LYS A 48 13.996 39.050 17.382 1.00 32.63 H new ATOM 0 HB2 LYS A 48 15.767 39.287 15.548 1.00 35.34 H new ATOM 0 HB3 LYS A 48 14.811 40.448 15.134 1.00 35.34 H new ATOM 0 HG2 LYS A 48 15.226 41.618 17.027 1.00 39.90 H new ATOM 0 HG3 LYS A 48 15.781 40.367 17.775 1.00 39.90 H new ATOM 0 HD2 LYS A 48 17.390 40.759 15.658 1.00 42.54 H new ATOM 0 HD3 LYS A 48 17.221 42.149 16.342 1.00 42.54 H new ATOM 0 HE2 LYS A 48 17.909 41.138 18.420 1.00 43.33 H new ATOM 0 HE3 LYS A 48 18.218 39.828 17.631 1.00 43.33 H new ATOM 0 HZ1 LYS A 48 20.121 41.060 17.874 1.00 44.71 H new ATOM 0 HZ2 LYS A 48 19.819 40.977 16.455 1.00 44.71 H new ATOM 0 HZ3 LYS A 48 19.531 42.198 17.190 1.00 44.71 H new ATOM 356 N LYS A 49 12.185 39.632 14.814 1.00 35.48 N ATOM 357 CA LYS A 49 10.968 40.221 14.269 1.00 33.92 C ATOM 358 C LYS A 49 10.280 39.204 13.361 1.00 32.51 C ATOM 359 O LYS A 49 10.933 38.544 12.549 1.00 31.93 O ATOM 360 CB LYS A 49 11.320 41.485 13.479 1.00 36.98 C ATOM 361 CG LYS A 49 10.134 42.315 13.012 1.00 40.83 C ATOM 362 CD LYS A 49 10.577 43.361 11.997 1.00 41.89 C ATOM 363 CE LYS A 49 9.425 44.265 11.586 1.00 42.68 C ATOM 364 NZ LYS A 49 9.504 44.644 10.146 1.00 42.22 N ATOM 0 H LYS A 49 12.611 39.146 14.247 1.00 35.48 H new ATOM 0 HA LYS A 49 10.366 40.461 14.991 1.00 33.92 H new ATOM 0 HB2 LYS A 49 11.890 42.044 14.030 1.00 36.98 H new ATOM 0 HB3 LYS A 49 11.841 41.228 12.702 1.00 36.98 H new ATOM 0 HG2 LYS A 49 9.464 41.736 12.616 1.00 40.83 H new ATOM 0 HG3 LYS A 49 9.719 42.751 13.772 1.00 40.83 H new ATOM 0 HD2 LYS A 49 11.291 43.897 12.375 1.00 41.89 H new ATOM 0 HD3 LYS A 49 10.938 42.919 11.213 1.00 41.89 H new ATOM 0 HE2 LYS A 49 8.583 43.814 11.756 1.00 42.68 H new ATOM 0 HE3 LYS A 49 9.432 45.067 12.132 1.00 42.68 H new ATOM 0 HZ1 LYS A 49 9.389 45.523 10.063 1.00 42.22 H new ATOM 0 HZ2 LYS A 49 10.302 44.418 9.823 1.00 42.22 H new ATOM 0 HZ3 LYS A 49 8.868 44.218 9.691 1.00 42.22 H new ATOM 365 N ALA A 50 8.964 39.072 13.509 1.00 32.00 N ATOM 366 CA ALA A 50 8.169 38.226 12.622 1.00 31.22 C ATOM 367 C ALA A 50 6.823 38.879 12.324 1.00 29.20 C ATOM 368 O ALA A 50 5.882 38.788 13.117 1.00 29.63 O ATOM 369 CB ALA A 50 7.991 36.825 13.214 1.00 30.99 C ATOM 0 H ALA A 50 8.509 39.468 14.122 1.00 32.00 H new ATOM 0 HA ALA A 50 8.646 38.129 11.783 1.00 31.22 H new ATOM 0 HB1 ALA A 50 7.461 36.283 12.609 1.00 30.99 H new ATOM 0 HB2 ALA A 50 8.860 36.414 13.339 1.00 30.99 H new ATOM 0 HB3 ALA A 50 7.538 36.890 14.069 1.00 30.99 H new ATOM 370 N THR A 51 6.757 39.554 11.177 1.00 28.43 N ATOM 371 CA THR A 51 5.581 40.321 10.762 1.00 27.56 C ATOM 372 C THR A 51 5.250 40.070 9.289 1.00 27.42 C ATOM 373 O THR A 51 4.179 40.447 8.811 1.00 28.13 O ATOM 374 CB THR A 51 5.811 41.840 10.982 1.00 29.07 C ATOM 375 OG1 THR A 51 7.008 42.247 10.307 1.00 31.20 O ATOM 376 CG2 THR A 51 6.106 42.160 12.449 1.00 25.52 C ATOM 0 H THR A 51 7.403 39.580 10.610 1.00 28.43 H new ATOM 0 HA THR A 51 4.835 40.026 11.307 1.00 27.56 H new ATOM 0 HB THR A 51 5.008 42.283 10.666 1.00 29.07 H new ATOM 0 HG1 THR A 51 6.994 43.078 10.187 1.00 31.20 H new ATOM 0 HG21 THR A 51 6.244 43.115 12.551 1.00 25.52 H new ATOM 0 HG22 THR A 51 5.356 41.882 12.998 1.00 25.52 H new ATOM 0 HG23 THR A 51 6.905 41.686 12.729 1.00 25.52 H new ATOM 377 N GLU A 52 6.179 39.431 8.583 1.00 26.87 N ATOM 378 CA GLU A 52 6.067 39.207 7.146 1.00 24.45 C ATOM 379 C GLU A 52 6.292 37.744 6.796 1.00 22.00 C ATOM 380 O GLU A 52 6.944 37.019 7.547 1.00 21.21 O ATOM 381 CB GLU A 52 7.106 40.049 6.414 1.00 25.41 C ATOM 382 CG GLU A 52 6.676 41.477 6.144 1.00 27.43 C ATOM 383 CD GLU A 52 7.828 42.354 5.698 1.00 27.77 C ATOM 384 OE1 GLU A 52 8.641 41.903 4.866 1.00 31.26 O ATOM 385 OE2 GLU A 52 7.923 43.497 6.184 1.00 31.82 O ATOM 0 H GLU A 52 6.899 39.112 8.929 1.00 26.87 H new ATOM 0 HA GLU A 52 5.171 39.460 6.874 1.00 24.45 H new ATOM 0 HB2 GLU A 52 7.923 40.062 6.937 1.00 25.41 H new ATOM 0 HB3 GLU A 52 7.317 39.621 5.569 1.00 25.41 H new ATOM 0 HG2 GLU A 52 5.987 41.481 5.461 1.00 27.43 H new ATOM 0 HG3 GLU A 52 6.281 41.850 6.947 1.00 27.43 H new ATOM 386 N LEU A 53 5.777 37.328 5.639 1.00 18.73 N ATOM 387 CA LEU A 53 5.939 35.956 5.157 1.00 18.98 C ATOM 388 C LEU A 53 7.400 35.522 5.008 1.00 18.24 C ATOM 389 O LEU A 53 7.724 34.359 5.234 1.00 22.02 O ATOM 390 CB LEU A 53 5.196 35.746 3.833 1.00 16.22 C ATOM 391 CG LEU A 53 3.669 35.593 3.850 1.00 16.25 C ATOM 392 CD1 LEU A 53 3.143 35.511 2.425 1.00 19.00 C ATOM 393 CD2 LEU A 53 3.211 34.382 4.652 1.00 14.51 C ATOM 0 H LEU A 53 5.324 37.834 5.111 1.00 18.73 H new ATOM 0 HA LEU A 53 5.549 35.393 5.844 1.00 18.98 H new ATOM 0 HB2 LEU A 53 5.408 36.497 3.256 1.00 16.22 H new ATOM 0 HB3 LEU A 53 5.565 34.953 3.413 1.00 16.22 H new ATOM 0 HG LEU A 53 3.305 36.377 4.291 1.00 16.25 H new ATOM 0 HD11 LEU A 53 2.178 35.414 2.441 1.00 19.00 H new ATOM 0 HD12 LEU A 53 3.379 36.321 1.946 1.00 19.00 H new ATOM 0 HD13 LEU A 53 3.537 34.745 1.978 1.00 19.00 H new ATOM 0 HD21 LEU A 53 2.243 34.328 4.633 1.00 14.51 H new ATOM 0 HD22 LEU A 53 3.587 33.576 4.264 1.00 14.51 H new ATOM 0 HD23 LEU A 53 3.512 34.469 5.570 1.00 14.51 H new ATOM 394 N LYS A 54 8.276 36.451 4.636 1.00 17.49 N ATOM 395 CA LYS A 54 9.695 36.140 4.458 1.00 21.22 C ATOM 396 C LYS A 54 10.382 35.761 5.774 1.00 21.79 C ATOM 397 O LYS A 54 11.393 35.053 5.770 1.00 20.63 O ATOM 398 CB LYS A 54 10.434 37.291 3.763 1.00 21.96 C ATOM 399 CG LYS A 54 10.582 38.566 4.586 1.00 25.44 C ATOM 400 CD LYS A 54 11.012 39.726 3.708 1.00 26.03 C ATOM 401 CE LYS A 54 11.976 40.641 4.433 1.00 30.75 C ATOM 402 NZ LYS A 54 11.503 42.055 4.411 1.00 33.79 N ATOM 0 H LYS A 54 8.070 37.271 4.481 1.00 17.49 H new ATOM 0 HA LYS A 54 9.738 35.360 3.883 1.00 21.22 H new ATOM 0 HB2 LYS A 54 11.318 36.982 3.512 1.00 21.96 H new ATOM 0 HB3 LYS A 54 9.965 37.507 2.942 1.00 21.96 H new ATOM 0 HG2 LYS A 54 9.740 38.777 5.018 1.00 25.44 H new ATOM 0 HG3 LYS A 54 11.235 38.428 5.290 1.00 25.44 H new ATOM 0 HD2 LYS A 54 11.431 39.386 2.902 1.00 26.03 H new ATOM 0 HD3 LYS A 54 10.231 40.230 3.431 1.00 26.03 H new ATOM 0 HE2 LYS A 54 12.076 40.346 5.352 1.00 30.75 H new ATOM 0 HE3 LYS A 54 12.852 40.584 4.020 1.00 30.75 H new ATOM 0 HZ1 LYS A 54 11.811 42.483 5.128 1.00 33.79 H new ATOM 0 HZ2 LYS A 54 11.802 42.457 3.675 1.00 33.79 H new ATOM 0 HZ3 LYS A 54 10.613 42.071 4.416 1.00 33.79 H new ATOM 403 N HIS A 55 9.815 36.225 6.888 1.00 20.32 N ATOM 404 CA HIS A 55 10.340 35.931 8.219 1.00 22.72 C ATOM 405 C HIS A 55 10.161 34.461 8.596 1.00 21.43 C ATOM 406 O HIS A 55 10.747 33.992 9.571 1.00 19.95 O ATOM 407 CB HIS A 55 9.698 36.844 9.271 1.00 21.01 C ATOM 408 CG HIS A 55 10.068 38.288 9.125 1.00 24.89 C ATOM 409 ND1 HIS A 55 9.163 39.310 9.305 1.00 24.40 N ATOM 410 CD2 HIS A 55 11.246 38.880 8.814 1.00 29.37 C ATOM 411 CE1 HIS A 55 9.765 40.470 9.111 1.00 25.61 C ATOM 412 NE2 HIS A 55 11.030 40.237 8.811 1.00 29.34 N ATOM 0 H HIS A 55 9.112 36.721 6.891 1.00 20.32 H new ATOM 0 HA HIS A 55 11.294 36.107 8.196 1.00 22.72 H new ATOM 0 HB2 HIS A 55 8.733 36.759 9.216 1.00 21.01 H new ATOM 0 HB3 HIS A 55 9.959 36.540 10.154 1.00 21.01 H new ATOM 0 HD2 HIS A 55 12.050 38.449 8.636 1.00 29.37 H new ATOM 0 HE1 HIS A 55 9.366 41.308 9.175 1.00 25.61 H new ATOM 0 HE2 HIS A 55 11.622 40.837 8.641 1.00 29.34 H new ATOM 413 N LEU A 56 9.361 33.743 7.808 1.00 19.16 N ATOM 414 CA LEU A 56 9.164 32.303 7.978 1.00 16.40 C ATOM 415 C LEU A 56 10.452 31.501 7.768 1.00 16.24 C ATOM 416 O LEU A 56 10.515 30.323 8.117 1.00 17.05 O ATOM 417 CB LEU A 56 8.066 31.796 7.039 1.00 14.47 C ATOM 418 CG LEU A 56 6.619 32.007 7.486 1.00 15.08 C ATOM 419 CD1 LEU A 56 5.678 31.856 6.297 1.00 14.48 C ATOM 420 CD2 LEU A 56 6.233 31.041 8.609 1.00 11.05 C ATOM 0 H LEU A 56 8.914 34.080 7.155 1.00 19.16 H new ATOM 0 HA LEU A 56 8.890 32.166 8.898 1.00 16.40 H new ATOM 0 HB2 LEU A 56 8.182 32.228 6.178 1.00 14.47 H new ATOM 0 HB3 LEU A 56 8.203 30.846 6.900 1.00 14.47 H new ATOM 0 HG LEU A 56 6.540 32.908 7.838 1.00 15.08 H new ATOM 0 HD11 LEU A 56 4.763 31.991 6.589 1.00 14.48 H new ATOM 0 HD12 LEU A 56 5.902 32.515 5.621 1.00 14.48 H new ATOM 0 HD13 LEU A 56 5.769 30.966 5.923 1.00 14.48 H new ATOM 0 HD21 LEU A 56 5.312 31.199 8.870 1.00 11.05 H new ATOM 0 HD22 LEU A 56 6.328 30.127 8.297 1.00 11.05 H new ATOM 0 HD23 LEU A 56 6.814 31.183 9.373 1.00 11.05 H new ATOM 421 N GLN A 57 11.470 32.146 7.198 1.00 16.15 N ATOM 422 CA GLN A 57 12.819 31.586 7.129 1.00 18.55 C ATOM 423 C GLN A 57 13.298 31.188 8.527 1.00 19.76 C ATOM 424 O GLN A 57 13.951 30.157 8.698 1.00 17.55 O ATOM 425 CB GLN A 57 13.784 32.596 6.490 1.00 21.32 C ATOM 426 CG GLN A 57 15.253 32.151 6.421 1.00 27.14 C ATOM 427 CD GLN A 57 15.501 31.050 5.398 1.00 30.75 C ATOM 428 OE1 GLN A 57 14.898 31.042 4.324 1.00 33.27 O ATOM 429 NE2 GLN A 57 16.394 30.122 5.728 1.00 28.29 N ATOM 0 H GLN A 57 11.397 32.924 6.839 1.00 16.15 H new ATOM 0 HA GLN A 57 12.800 30.791 6.574 1.00 18.55 H new ATOM 0 HB2 GLN A 57 13.478 32.788 5.590 1.00 21.32 H new ATOM 0 HB3 GLN A 57 13.736 33.426 6.989 1.00 21.32 H new ATOM 0 HG2 GLN A 57 15.807 32.917 6.203 1.00 27.14 H new ATOM 0 HG3 GLN A 57 15.532 31.839 7.296 1.00 27.14 H new ATOM 0 HE21 GLN A 57 16.795 30.162 6.488 1.00 28.29 H new ATOM 0 HE22 GLN A 57 16.571 29.482 5.182 1.00 28.29 H new ATOM 430 N CYS A 58 12.943 32.009 9.516 1.00 18.24 N ATOM 431 CA CYS A 58 13.257 31.759 10.919 1.00 21.25 C ATOM 432 C CYS A 58 12.587 30.494 11.449 1.00 21.63 C ATOM 433 O CYS A 58 13.126 29.836 12.334 1.00 19.45 O ATOM 434 CB CYS A 58 12.851 32.959 11.776 1.00 26.60 C ATOM 435 SG CYS A 58 13.784 34.464 11.425 1.00 32.40 S ATOM 0 H CYS A 58 12.506 32.738 9.386 1.00 18.24 H new ATOM 0 HA CYS A 58 14.216 31.626 10.975 1.00 21.25 H new ATOM 0 HB2 CYS A 58 11.907 33.136 11.641 1.00 26.60 H new ATOM 0 HB3 CYS A 58 12.965 32.730 12.712 1.00 26.60 H new ATOM 436 N LEU A 59 11.413 30.166 10.910 1.00 20.46 N ATOM 437 CA LEU A 59 10.734 28.917 11.251 1.00 17.74 C ATOM 438 C LEU A 59 11.376 27.733 10.530 1.00 18.56 C ATOM 439 O LEU A 59 11.629 26.699 11.145 1.00 22.61 O ATOM 440 CB LEU A 59 9.231 28.998 10.940 1.00 15.79 C ATOM 441 CG LEU A 59 8.342 27.770 11.193 1.00 14.93 C ATOM 442 CD1 LEU A 59 8.519 27.206 12.605 1.00 14.44 C ATOM 443 CD2 LEU A 59 6.877 28.110 10.942 1.00 8.95 C ATOM 0 H LEU A 59 10.992 30.656 10.342 1.00 20.46 H new ATOM 0 HA LEU A 59 10.832 28.778 12.206 1.00 17.74 H new ATOM 0 HB2 LEU A 59 8.866 29.733 11.457 1.00 15.79 H new ATOM 0 HB3 LEU A 59 9.140 29.236 10.004 1.00 15.79 H new ATOM 0 HG LEU A 59 8.623 27.082 10.569 1.00 14.93 H new ATOM 0 HD11 LEU A 59 7.941 26.435 12.721 1.00 14.44 H new ATOM 0 HD12 LEU A 59 9.443 26.940 12.734 1.00 14.44 H new ATOM 0 HD13 LEU A 59 8.285 27.885 13.257 1.00 14.44 H new ATOM 0 HD21 LEU A 59 6.330 27.326 11.106 1.00 8.95 H new ATOM 0 HD22 LEU A 59 6.604 28.825 11.538 1.00 8.95 H new ATOM 0 HD23 LEU A 59 6.764 28.396 10.022 1.00 8.95 H new ATOM 444 N GLU A 60 11.643 27.898 9.233 1.00 22.56 N ATOM 445 CA GLU A 60 12.249 26.848 8.406 1.00 24.58 C ATOM 446 C GLU A 60 13.539 26.286 9.002 1.00 23.53 C ATOM 447 O GLU A 60 13.747 25.070 9.012 1.00 24.73 O ATOM 448 CB GLU A 60 12.520 27.358 6.985 1.00 24.50 C ATOM 449 CG GLU A 60 12.556 26.257 5.935 1.00 28.81 C ATOM 450 CD GLU A 60 13.666 26.444 4.917 1.00 37.30 C ATOM 451 OE1 GLU A 60 13.723 27.518 4.280 1.00 34.39 O ATOM 452 OE2 GLU A 60 14.481 25.510 4.746 1.00 39.86 O ATOM 0 H GLU A 60 11.477 28.625 8.805 1.00 22.56 H new ATOM 0 HA GLU A 60 11.603 26.125 8.377 1.00 24.58 H new ATOM 0 HB2 GLU A 60 11.834 28.001 6.745 1.00 24.50 H new ATOM 0 HB3 GLU A 60 13.367 27.830 6.976 1.00 24.50 H new ATOM 0 HG2 GLU A 60 12.669 25.400 6.376 1.00 28.81 H new ATOM 0 HG3 GLU A 60 11.703 26.228 5.474 1.00 28.81 H new ATOM 453 N GLU A 61 14.389 27.179 9.501 1.00 18.64 N ATOM 454 CA GLU A 61 15.683 26.797 10.060 1.00 23.57 C ATOM 455 C GLU A 61 15.559 25.992 11.358 1.00 21.68 C ATOM 456 O GLU A 61 16.426 25.180 11.672 1.00 20.15 O ATOM 457 CB GLU A 61 16.558 28.036 10.263 1.00 24.38 C ATOM 458 CG GLU A 61 17.316 28.462 9.009 1.00 28.70 C ATOM 459 CD GLU A 61 17.831 29.895 9.061 1.00 30.33 C ATOM 460 OE1 GLU A 61 18.235 30.360 10.150 1.00 28.95 O ATOM 461 OE2 GLU A 61 17.842 30.560 8.000 1.00 28.54 O ATOM 0 H GLU A 61 14.232 28.024 9.525 1.00 18.64 H new ATOM 0 HA GLU A 61 16.109 26.209 9.417 1.00 23.57 H new ATOM 0 HB2 GLU A 61 16.000 28.772 10.560 1.00 24.38 H new ATOM 0 HB3 GLU A 61 17.195 27.860 10.973 1.00 24.38 H new ATOM 0 HG2 GLU A 61 18.066 27.862 8.875 1.00 28.70 H new ATOM 0 HG3 GLU A 61 16.733 28.364 8.240 1.00 28.70 H new ATOM 462 N GLU A 62 14.469 26.207 12.090 1.00 19.47 N ATOM 463 CA GLU A 62 14.234 25.511 13.354 1.00 18.89 C ATOM 464 C GLU A 62 13.402 24.232 13.218 1.00 17.61 C ATOM 465 O GLU A 62 13.110 23.575 14.221 1.00 18.80 O ATOM 466 CB GLU A 62 13.580 26.458 14.369 1.00 20.20 C ATOM 467 CG GLU A 62 14.529 27.465 15.002 1.00 18.18 C ATOM 468 CD GLU A 62 15.589 26.810 15.869 1.00 22.38 C ATOM 469 OE1 GLU A 62 15.286 26.465 17.028 1.00 21.79 O ATOM 470 OE2 GLU A 62 16.729 26.641 15.388 1.00 26.14 O ATOM 0 H GLU A 62 13.847 26.758 11.870 1.00 19.47 H new ATOM 0 HA GLU A 62 15.108 25.232 13.669 1.00 18.89 H new ATOM 0 HB2 GLU A 62 12.863 26.940 13.928 1.00 20.20 H new ATOM 0 HB3 GLU A 62 13.174 25.928 15.073 1.00 20.20 H new ATOM 0 HG2 GLU A 62 14.962 27.979 14.303 1.00 18.18 H new ATOM 0 HG3 GLU A 62 14.019 28.091 15.540 1.00 18.18 H new ATOM 471 N LEU A 63 13.031 23.868 11.990 1.00 18.47 N ATOM 472 CA LEU A 63 12.174 22.698 11.771 1.00 16.93 C ATOM 473 C LEU A 63 12.883 21.365 12.015 1.00 16.98 C ATOM 474 O LEU A 63 12.256 20.400 12.451 1.00 18.93 O ATOM 475 CB LEU A 63 11.529 22.717 10.377 1.00 14.69 C ATOM 476 CG LEU A 63 10.428 23.746 10.096 1.00 19.00 C ATOM 477 CD1 LEU A 63 9.944 23.626 8.653 1.00 17.70 C ATOM 478 CD2 LEU A 63 9.252 23.628 11.069 1.00 17.33 C ATOM 0 H LEU A 63 13.263 24.282 11.273 1.00 18.47 H new ATOM 0 HA LEU A 63 11.474 22.767 12.439 1.00 16.93 H new ATOM 0 HB2 LEU A 63 12.235 22.855 9.727 1.00 14.69 H new ATOM 0 HB3 LEU A 63 11.159 21.836 10.211 1.00 14.69 H new ATOM 0 HG LEU A 63 10.818 24.624 10.230 1.00 19.00 H new ATOM 0 HD11 LEU A 63 9.248 24.282 8.489 1.00 17.70 H new ATOM 0 HD12 LEU A 63 10.686 23.784 8.048 1.00 17.70 H new ATOM 0 HD13 LEU A 63 9.590 22.736 8.503 1.00 17.70 H new ATOM 0 HD21 LEU A 63 8.584 24.297 10.852 1.00 17.33 H new ATOM 0 HD22 LEU A 63 8.859 22.744 10.997 1.00 17.33 H new ATOM 0 HD23 LEU A 63 9.567 23.768 11.976 1.00 17.33 H new ATOM 479 N LYS A 64 14.181 21.310 11.736 1.00 17.71 N ATOM 480 CA LYS A 64 14.960 20.099 12.002 1.00 20.61 C ATOM 481 C LYS A 64 15.110 19.799 13.506 1.00 18.51 C ATOM 482 O LYS A 64 14.871 18.660 13.915 1.00 18.45 O ATOM 483 CB LYS A 64 16.315 20.127 11.283 1.00 24.93 C ATOM 484 CG LYS A 64 16.228 19.767 9.806 1.00 27.07 C ATOM 485 CD LYS A 64 17.451 20.240 9.041 1.00 32.54 C ATOM 486 CE LYS A 64 17.270 20.053 7.541 1.00 35.31 C ATOM 487 NZ LYS A 64 17.472 18.635 7.126 1.00 36.31 N ATOM 0 H LYS A 64 14.630 21.958 11.394 1.00 17.71 H new ATOM 0 HA LYS A 64 14.451 19.361 11.632 1.00 20.61 H new ATOM 0 HB2 LYS A 64 16.701 21.013 11.370 1.00 24.93 H new ATOM 0 HB3 LYS A 64 16.920 19.510 11.724 1.00 24.93 H new ATOM 0 HG2 LYS A 64 16.138 18.806 9.711 1.00 27.07 H new ATOM 0 HG3 LYS A 64 15.431 20.165 9.422 1.00 27.07 H new ATOM 0 HD2 LYS A 64 17.615 21.176 9.235 1.00 32.54 H new ATOM 0 HD3 LYS A 64 18.232 19.748 9.339 1.00 32.54 H new ATOM 0 HE2 LYS A 64 16.379 20.340 7.285 1.00 35.31 H new ATOM 0 HE3 LYS A 64 17.898 20.620 7.067 1.00 35.31 H new ATOM 0 HZ1 LYS A 64 17.359 18.564 6.246 1.00 36.31 H new ATOM 0 HZ2 LYS A 64 18.296 18.377 7.340 1.00 36.31 H new ATOM 0 HZ3 LYS A 64 16.882 18.116 7.544 1.00 36.31 H new ATOM 488 N PRO A 65 15.495 20.790 14.324 1.00 18.42 N ATOM 489 CA PRO A 65 15.485 20.620 15.786 1.00 18.52 C ATOM 490 C PRO A 65 14.097 20.272 16.323 1.00 16.01 C ATOM 491 O PRO A 65 13.998 19.429 17.215 1.00 22.65 O ATOM 492 CB PRO A 65 15.921 21.992 16.313 1.00 17.99 C ATOM 493 CG PRO A 65 16.624 22.635 15.193 1.00 18.49 C ATOM 494 CD PRO A 65 15.999 22.123 13.942 1.00 18.59 C ATOM 0 HA PRO A 65 16.060 19.890 16.064 1.00 18.52 H new ATOM 0 HB2 PRO A 65 15.156 22.518 16.594 1.00 17.99 H new ATOM 0 HB3 PRO A 65 16.502 21.902 17.085 1.00 17.99 H new ATOM 0 HG2 PRO A 65 16.546 23.600 15.246 1.00 18.49 H new ATOM 0 HG3 PRO A 65 17.571 22.425 15.215 1.00 18.49 H new ATOM 0 HD2 PRO A 65 15.282 22.702 13.639 1.00 18.59 H new ATOM 0 HD3 PRO A 65 16.643 22.067 13.219 1.00 18.59 H new ATOM 495 N LEU A 66 13.053 20.902 15.784 1.00 19.48 N ATOM 496 CA LEU A 66 11.675 20.587 16.168 1.00 17.59 C ATOM 497 C LEU A 66 11.366 19.118 15.902 1.00 17.08 C ATOM 498 O LEU A 66 10.843 18.431 16.776 1.00 15.90 O ATOM 499 CB LEU A 66 10.667 21.504 15.456 1.00 17.21 C ATOM 500 CG LEU A 66 9.165 21.270 15.697 1.00 16.14 C ATOM 501 CD1 LEU A 66 8.789 21.459 17.164 1.00 16.67 C ATOM 502 CD2 LEU A 66 8.308 22.166 14.813 1.00 14.00 C ATOM 0 H LEU A 66 13.122 21.520 15.190 1.00 19.48 H new ATOM 0 HA LEU A 66 11.588 20.748 17.121 1.00 17.59 H new ATOM 0 HB2 LEU A 66 10.868 22.418 15.711 1.00 17.21 H new ATOM 0 HB3 LEU A 66 10.827 21.434 14.502 1.00 17.21 H new ATOM 0 HG LEU A 66 8.987 20.347 15.458 1.00 16.14 H new ATOM 0 HD11 LEU A 66 7.838 21.304 17.277 1.00 16.67 H new ATOM 0 HD12 LEU A 66 9.286 20.829 17.709 1.00 16.67 H new ATOM 0 HD13 LEU A 66 9.004 22.364 17.439 1.00 16.67 H new ATOM 0 HD21 LEU A 66 7.370 21.993 14.990 1.00 14.00 H new ATOM 0 HD22 LEU A 66 8.507 23.096 15.005 1.00 14.00 H new ATOM 0 HD23 LEU A 66 8.500 21.980 13.881 1.00 14.00 H new ATOM 503 N GLU A 67 11.720 18.641 14.708 1.00 18.31 N ATOM 504 CA GLU A 67 11.501 17.246 14.331 1.00 18.90 C ATOM 505 C GLU A 67 12.255 16.272 15.238 1.00 20.63 C ATOM 506 O GLU A 67 11.705 15.241 15.642 1.00 20.83 O ATOM 507 CB GLU A 67 11.884 17.013 12.866 1.00 20.59 C ATOM 508 CG GLU A 67 11.326 15.719 12.289 1.00 25.64 C ATOM 509 CD GLU A 67 11.840 15.407 10.896 1.00 26.64 C ATOM 510 OE1 GLU A 67 12.285 16.335 10.186 1.00 29.32 O ATOM 511 OE2 GLU A 67 11.792 14.220 10.508 1.00 32.36 O ATOM 0 H GLU A 67 12.093 19.117 14.096 1.00 18.31 H new ATOM 0 HA GLU A 67 10.554 17.070 14.443 1.00 18.90 H new ATOM 0 HB2 GLU A 67 11.566 17.759 12.334 1.00 20.59 H new ATOM 0 HB3 GLU A 67 12.851 17.002 12.790 1.00 20.59 H new ATOM 0 HG2 GLU A 67 11.552 14.985 12.881 1.00 25.64 H new ATOM 0 HG3 GLU A 67 10.358 15.775 12.264 1.00 25.64 H new ATOM 512 N GLU A 68 13.508 16.603 15.550 1.00 21.05 N ATOM 513 CA GLU A 68 14.346 15.777 16.424 1.00 19.81 C ATOM 514 C GLU A 68 13.749 15.621 17.829 1.00 19.02 C ATOM 515 O GLU A 68 13.597 14.502 18.317 1.00 22.25 O ATOM 516 CB GLU A 68 15.776 16.336 16.483 1.00 19.48 C ATOM 517 CG GLU A 68 16.791 15.467 17.218 1.00 23.58 C ATOM 518 CD GLU A 68 16.854 14.041 16.704 1.00 22.99 C ATOM 519 OE1 GLU A 68 17.193 13.844 15.521 1.00 17.74 O ATOM 520 OE2 GLU A 68 16.565 13.116 17.490 1.00 27.77 O ATOM 0 H GLU A 68 13.897 17.313 15.261 1.00 21.05 H new ATOM 0 HA GLU A 68 14.378 14.887 16.039 1.00 19.81 H new ATOM 0 HB2 GLU A 68 16.090 16.475 15.576 1.00 19.48 H new ATOM 0 HB3 GLU A 68 15.749 17.206 16.911 1.00 19.48 H new ATOM 0 HG2 GLU A 68 17.669 15.871 17.138 1.00 23.58 H new ATOM 0 HG3 GLU A 68 16.570 15.453 18.162 1.00 23.58 H new ATOM 521 N VAL A 69 13.390 16.736 18.462 1.00 19.75 N ATOM 522 CA VAL A 69 12.813 16.708 19.811 1.00 19.11 C ATOM 523 C VAL A 69 11.515 15.891 19.852 1.00 21.18 C ATOM 524 O VAL A 69 11.288 15.116 20.787 1.00 23.07 O ATOM 525 CB VAL A 69 12.589 18.138 20.377 1.00 20.21 C ATOM 526 CG1 VAL A 69 11.827 18.100 21.709 1.00 19.47 C ATOM 527 CG2 VAL A 69 13.921 18.859 20.551 1.00 18.35 C ATOM 0 H VAL A 69 13.472 17.524 18.128 1.00 19.75 H new ATOM 0 HA VAL A 69 13.460 16.267 20.384 1.00 19.11 H new ATOM 0 HB VAL A 69 12.049 18.627 19.737 1.00 20.21 H new ATOM 0 HG11 VAL A 69 11.703 19.004 22.037 1.00 19.47 H new ATOM 0 HG12 VAL A 69 10.961 17.683 21.575 1.00 19.47 H new ATOM 0 HG13 VAL A 69 12.335 17.588 22.358 1.00 19.47 H new ATOM 0 HG21 VAL A 69 13.764 19.749 20.904 1.00 18.35 H new ATOM 0 HG22 VAL A 69 14.481 18.361 21.167 1.00 18.35 H new ATOM 0 HG23 VAL A 69 14.367 18.927 19.692 1.00 18.35 H new ATOM 528 N LEU A 70 10.681 16.060 18.827 1.00 18.81 N ATOM 529 CA LEU A 70 9.452 15.286 18.688 1.00 18.20 C ATOM 530 C LEU A 70 9.747 13.796 18.524 1.00 18.43 C ATOM 531 O LEU A 70 9.084 12.964 19.147 1.00 19.50 O ATOM 532 CB LEU A 70 8.609 15.801 17.513 1.00 15.84 C ATOM 533 CG LEU A 70 7.867 17.129 17.675 1.00 13.80 C ATOM 534 CD1 LEU A 70 7.003 17.390 16.453 1.00 15.53 C ATOM 535 CD2 LEU A 70 7.018 17.163 18.948 1.00 19.00 C ATOM 0 H LEU A 70 10.813 16.627 18.194 1.00 18.81 H new ATOM 0 HA LEU A 70 8.941 15.401 19.505 1.00 18.20 H new ATOM 0 HB2 LEU A 70 9.194 15.882 16.743 1.00 15.84 H new ATOM 0 HB3 LEU A 70 7.952 15.120 17.300 1.00 15.84 H new ATOM 0 HG LEU A 70 8.532 17.831 17.757 1.00 13.80 H new ATOM 0 HD11 LEU A 70 6.535 18.233 16.561 1.00 15.53 H new ATOM 0 HD12 LEU A 70 7.564 17.431 15.663 1.00 15.53 H new ATOM 0 HD13 LEU A 70 6.357 16.673 16.354 1.00 15.53 H new ATOM 0 HD21 LEU A 70 6.566 18.019 19.013 1.00 19.00 H new ATOM 0 HD22 LEU A 70 6.360 16.451 18.917 1.00 19.00 H new ATOM 0 HD23 LEU A 70 7.590 17.041 19.722 1.00 19.00 H new ATOM 536 N ASN A 71 10.740 13.472 17.692 1.00 19.22 N ATOM 537 CA ASN A 71 11.210 12.096 17.509 1.00 22.76 C ATOM 538 C ASN A 71 11.660 11.464 18.824 1.00 25.55 C ATOM 539 O ASN A 71 11.334 10.310 19.106 1.00 25.77 O ATOM 540 CB ASN A 71 12.380 12.043 16.514 1.00 21.86 C ATOM 541 CG ASN A 71 11.931 11.892 15.065 1.00 24.64 C ATOM 542 OD1 ASN A 71 10.779 11.263 14.853 1.00 21.39 O flip ATOM 543 ND2 ASN A 71 12.630 12.326 14.144 1.00 21.52 N flip ATOM 0 H ASN A 71 11.163 14.049 17.215 1.00 19.22 H new ATOM 0 HA ASN A 71 10.456 11.593 17.162 1.00 22.76 H new ATOM 0 HB2 ASN A 71 12.907 12.853 16.600 1.00 21.86 H new ATOM 0 HB3 ASN A 71 12.960 11.301 16.746 1.00 21.86 H new ATOM 0 HD21 ASN A 71 13.370 12.728 14.318 1.00 21.52 H new ATOM 0 HD22 ASN A 71 12.377 12.226 13.328 1.00 21.52 H new ATOM 544 N LEU A 72 12.409 12.232 19.617 1.00 26.22 N ATOM 545 CA LEU A 72 12.952 11.766 20.895 1.00 30.37 C ATOM 546 C LEU A 72 11.870 11.460 21.934 1.00 33.04 C ATOM 547 O LEU A 72 12.080 10.641 22.829 1.00 30.99 O ATOM 548 CB LEU A 72 13.972 12.770 21.455 1.00 28.55 C ATOM 549 CG LEU A 72 15.260 12.998 20.651 1.00 27.48 C ATOM 550 CD1 LEU A 72 15.994 14.241 21.141 1.00 22.65 C ATOM 551 CD2 LEU A 72 16.173 11.778 20.691 1.00 26.94 C ATOM 0 H LEU A 72 12.618 13.044 19.427 1.00 26.22 H new ATOM 0 HA LEU A 72 13.402 10.927 20.710 1.00 30.37 H new ATOM 0 HB2 LEU A 72 13.526 13.626 21.554 1.00 28.55 H new ATOM 0 HB3 LEU A 72 14.223 12.476 22.345 1.00 28.55 H new ATOM 0 HG LEU A 72 15.004 13.140 19.726 1.00 27.48 H new ATOM 0 HD11 LEU A 72 16.803 14.366 20.620 1.00 22.65 H new ATOM 0 HD12 LEU A 72 15.421 15.017 21.038 1.00 22.65 H new ATOM 0 HD13 LEU A 72 16.226 14.132 22.077 1.00 22.65 H new ATOM 0 HD21 LEU A 72 16.974 11.956 20.175 1.00 26.94 H new ATOM 0 HD22 LEU A 72 16.417 11.586 21.610 1.00 26.94 H new ATOM 0 HD23 LEU A 72 15.709 11.014 20.314 1.00 26.94 H new ATOM 552 N ALA A 73 10.720 12.121 21.811 1.00 37.78 N ATOM 553 CA ALA A 73 9.546 11.796 22.620 1.00 41.36 C ATOM 554 C ALA A 73 8.662 10.782 21.888 1.00 46.35 C ATOM 555 O ALA A 73 8.709 10.689 20.659 1.00 47.11 O ATOM 556 CB ALA A 73 8.766 13.055 22.943 1.00 41.08 C ATOM 0 H ALA A 73 10.599 12.768 21.258 1.00 37.78 H new ATOM 0 HA ALA A 73 9.841 11.398 23.454 1.00 41.36 H new ATOM 0 HB1 ALA A 73 7.991 12.827 23.479 1.00 41.08 H new ATOM 0 HB2 ALA A 73 9.332 13.668 23.438 1.00 41.08 H new ATOM 0 HB3 ALA A 73 8.476 13.477 22.119 1.00 41.08 H new ATOM 557 N GLN A 74 7.871 10.016 22.638 1.00 52.64 N ATOM 558 CA GLN A 74 6.940 9.047 22.040 1.00 57.94 C ATOM 559 C GLN A 74 5.794 8.647 22.974 1.00 61.06 C ATOM 560 O GLN A 74 5.980 8.479 24.179 1.00 64.80 O ATOM 561 CB GLN A 74 7.675 7.804 21.506 1.00 59.86 C ATOM 562 CG GLN A 74 8.555 7.064 22.515 1.00 64.15 C ATOM 563 CD GLN A 74 9.405 5.973 21.874 1.00 68.04 C ATOM 564 OE1 GLN A 74 10.596 5.855 22.170 1.00 67.57 O ATOM 565 NE2 GLN A 74 8.796 5.172 21.000 1.00 68.00 N ATOM 0 H GLN A 74 7.855 10.039 23.498 1.00 52.64 H new ATOM 0 HA GLN A 74 6.534 9.507 21.289 1.00 57.94 H new ATOM 0 HB2 GLN A 74 7.015 7.182 21.161 1.00 59.86 H new ATOM 0 HB3 GLN A 74 8.229 8.074 20.757 1.00 59.86 H new ATOM 0 HG2 GLN A 74 9.136 7.701 22.959 1.00 64.15 H new ATOM 0 HG3 GLN A 74 7.992 6.669 23.199 1.00 64.15 H new ATOM 0 HE21 GLN A 74 7.963 5.287 20.820 1.00 68.00 H new ATOM 0 HE22 GLN A 74 9.236 4.541 20.616 1.00 68.00 H new ATOM 566 N PHE A 78 2.045 6.861 19.498 1.00 72.01 N ATOM 567 CA PHE A 78 1.389 8.025 18.912 1.00 70.98 C ATOM 568 C PHE A 78 0.882 7.729 17.502 1.00 69.59 C ATOM 569 O PHE A 78 1.520 6.992 16.746 1.00 69.68 O ATOM 570 CB PHE A 78 2.340 9.227 18.900 1.00 71.26 C ATOM 571 CG PHE A 78 1.660 10.545 19.149 1.00 70.89 C ATOM 572 CD1 PHE A 78 1.032 10.805 20.366 1.00 71.17 C ATOM 573 CD2 PHE A 78 1.648 11.532 18.168 1.00 70.63 C ATOM 574 CE1 PHE A 78 0.401 12.024 20.599 1.00 70.07 C ATOM 575 CE2 PHE A 78 1.019 12.755 18.391 1.00 70.14 C ATOM 576 CZ PHE A 78 0.395 13.001 19.610 1.00 70.08 C ATOM 0 HA PHE A 78 0.621 8.241 19.463 1.00 70.98 H new ATOM 0 HB2 PHE A 78 3.024 9.094 19.575 1.00 71.26 H new ATOM 0 HB3 PHE A 78 2.791 9.263 18.042 1.00 71.26 H new ATOM 0 HD1 PHE A 78 1.035 10.155 21.031 1.00 71.17 H new ATOM 0 HD2 PHE A 78 2.066 11.373 17.352 1.00 70.63 H new ATOM 0 HE1 PHE A 78 -0.016 12.184 21.415 1.00 70.07 H new ATOM 0 HE2 PHE A 78 1.016 13.406 17.726 1.00 70.14 H new ATOM 0 HZ PHE A 78 -0.025 13.817 19.763 1.00 70.08 H new ATOM 577 N HIS A 79 -0.264 8.314 17.159 1.00 67.41 N ATOM 578 CA HIS A 79 -0.912 8.074 15.867 1.00 65.02 C ATOM 579 C HIS A 79 -0.245 8.800 14.693 1.00 63.30 C ATOM 580 O HIS A 79 -0.480 8.459 13.530 1.00 62.27 O ATOM 581 CB HIS A 79 -2.413 8.401 15.938 1.00 64.74 C ATOM 582 CG HIS A 79 -2.716 9.854 16.142 1.00 64.89 C ATOM 583 ND1 HIS A 79 -2.411 10.524 17.308 1.00 66.28 N ATOM 584 CD2 HIS A 79 -3.311 10.762 15.333 1.00 64.95 C ATOM 585 CE1 HIS A 79 -2.798 11.783 17.205 1.00 65.85 C ATOM 586 NE2 HIS A 79 -3.348 11.954 16.016 1.00 65.18 N ATOM 0 H HIS A 79 -0.689 8.862 17.668 1.00 67.41 H new ATOM 0 HA HIS A 79 -0.802 7.127 15.686 1.00 65.02 H new ATOM 0 HB2 HIS A 79 -2.837 8.105 15.118 1.00 64.74 H new ATOM 0 HB3 HIS A 79 -2.810 7.893 16.663 1.00 64.74 H new ATOM 0 HD2 HIS A 79 -3.634 10.608 14.475 1.00 64.95 H new ATOM 0 HE1 HIS A 79 -2.700 12.438 17.858 1.00 65.85 H new ATOM 0 HE2 HIS A 79 -3.676 12.691 15.718 1.00 65.18 H new ATOM 587 N LEU A 80 0.588 9.792 15.005 1.00 60.23 N ATOM 588 CA LEU A 80 1.273 10.587 13.990 1.00 56.84 C ATOM 589 C LEU A 80 2.785 10.420 14.042 1.00 55.48 C ATOM 590 O LEU A 80 3.380 10.403 15.123 1.00 55.40 O ATOM 591 CB LEU A 80 0.930 12.068 14.151 1.00 58.00 C ATOM 592 CG LEU A 80 -0.438 12.553 13.673 1.00 58.98 C ATOM 593 CD1 LEU A 80 -0.825 13.790 14.455 1.00 58.54 C ATOM 594 CD2 LEU A 80 -0.428 12.840 12.177 1.00 60.35 C ATOM 0 H LEU A 80 0.771 10.022 15.813 1.00 60.23 H new ATOM 0 HA LEU A 80 0.964 10.263 13.130 1.00 56.84 H new ATOM 0 HB2 LEU A 80 1.010 12.289 15.092 1.00 58.00 H new ATOM 0 HB3 LEU A 80 1.606 12.581 13.681 1.00 58.00 H new ATOM 0 HG LEU A 80 -1.093 11.855 13.828 1.00 58.98 H new ATOM 0 HD11 LEU A 80 -1.693 14.103 14.156 1.00 58.54 H new ATOM 0 HD12 LEU A 80 -0.867 13.576 15.400 1.00 58.54 H new ATOM 0 HD13 LEU A 80 -0.164 14.485 14.310 1.00 58.54 H new ATOM 0 HD21 LEU A 80 -1.306 13.145 11.900 1.00 60.35 H new ATOM 0 HD22 LEU A 80 0.229 13.527 11.983 1.00 60.35 H new ATOM 0 HD23 LEU A 80 -0.200 12.030 11.694 1.00 60.35 H new ATOM 595 N ARG A 81 3.396 10.303 12.865 1.00 52.82 N ATOM 596 CA ARG A 81 4.850 10.284 12.742 1.00 49.82 C ATOM 597 C ARG A 81 5.369 11.706 12.527 1.00 47.27 C ATOM 598 O ARG A 81 4.903 12.407 11.622 1.00 46.94 O ATOM 599 CB ARG A 81 5.278 9.376 11.601 1.00 50.20 C ATOM 0 H ARG A 81 2.979 10.233 12.116 1.00 52.82 H new ATOM 0 HA ARG A 81 5.231 9.933 13.562 1.00 49.82 H new ATOM 600 N PRO A 82 6.317 12.135 13.365 1.00 45.05 N ATOM 601 CA PRO A 82 6.879 13.491 13.282 1.00 43.68 C ATOM 602 C PRO A 82 7.350 13.878 11.881 1.00 42.56 C ATOM 603 O PRO A 82 7.064 14.995 11.458 1.00 43.58 O ATOM 604 CB PRO A 82 8.058 13.438 14.257 1.00 43.95 C ATOM 605 CG PRO A 82 7.654 12.416 15.255 1.00 44.28 C ATOM 606 CD PRO A 82 6.916 11.365 14.471 1.00 44.67 C ATOM 0 HA PRO A 82 6.214 14.164 13.496 1.00 43.68 H new ATOM 0 HB2 PRO A 82 8.880 13.189 13.807 1.00 43.95 H new ATOM 0 HB3 PRO A 82 8.213 14.300 14.674 1.00 43.95 H new ATOM 0 HG2 PRO A 82 8.428 12.040 15.703 1.00 44.28 H new ATOM 0 HG3 PRO A 82 7.088 12.802 15.942 1.00 44.28 H new ATOM 0 HD2 PRO A 82 7.514 10.674 14.145 1.00 44.67 H new ATOM 0 HD3 PRO A 82 6.240 10.924 15.009 1.00 44.67 H new ATOM 607 N ARG A 83 8.026 12.972 11.173 1.00 42.01 N ATOM 608 CA ARG A 83 8.538 13.267 9.831 1.00 43.06 C ATOM 609 C ARG A 83 7.450 13.686 8.826 1.00 41.92 C ATOM 610 O ARG A 83 7.728 14.443 7.895 1.00 40.54 O ATOM 611 CB ARG A 83 9.399 12.111 9.289 1.00 43.98 C ATOM 612 CG ARG A 83 8.648 11.028 8.517 1.00 46.23 C ATOM 613 CD ARG A 83 9.527 9.880 8.028 1.00 47.87 C ATOM 614 NE ARG A 83 10.324 10.241 6.854 1.00 49.25 N ATOM 615 CZ ARG A 83 9.919 10.111 5.591 1.00 50.65 C ATOM 616 NH1 ARG A 83 8.711 9.630 5.313 1.00 49.26 N ATOM 617 NH2 ARG A 83 10.725 10.466 4.599 1.00 48.56 N ATOM 0 H ARG A 83 8.200 12.177 11.452 1.00 42.01 H new ATOM 0 HA ARG A 83 9.107 14.046 9.934 1.00 43.06 H new ATOM 0 HB2 ARG A 83 10.082 12.483 8.709 1.00 43.98 H new ATOM 0 HB3 ARG A 83 9.857 11.694 10.035 1.00 43.98 H new ATOM 0 HG2 ARG A 83 7.949 10.667 9.085 1.00 46.23 H new ATOM 0 HG3 ARG A 83 8.211 11.435 7.753 1.00 46.23 H new ATOM 0 HD2 ARG A 83 10.120 9.603 8.744 1.00 47.87 H new ATOM 0 HD3 ARG A 83 8.967 9.118 7.813 1.00 47.87 H new ATOM 0 HE ARG A 83 11.111 10.560 6.989 1.00 49.25 H new ATOM 0 HH11 ARG A 83 8.183 9.399 5.951 1.00 49.26 H new ATOM 0 HH12 ARG A 83 8.458 9.550 4.495 1.00 49.26 H new ATOM 0 HH21 ARG A 83 11.507 10.779 4.772 1.00 48.56 H new ATOM 0 HH22 ARG A 83 10.465 10.383 3.783 1.00 48.56 H new ATOM 618 N ASP A 84 6.224 13.200 9.030 1.00 37.79 N ATOM 619 CA ASP A 84 5.105 13.503 8.136 1.00 38.33 C ATOM 620 C ASP A 84 4.533 14.907 8.349 1.00 36.32 C ATOM 621 O ASP A 84 4.330 15.645 7.383 1.00 35.85 O ATOM 622 CB ASP A 84 3.996 12.448 8.261 1.00 38.30 C ATOM 623 CG ASP A 84 4.447 11.060 7.823 1.00 40.32 C ATOM 624 OD1 ASP A 84 5.172 10.941 6.810 1.00 41.27 O ATOM 625 OD2 ASP A 84 4.118 10.022 8.433 1.00 43.59 O ATOM 0 H ASP A 84 6.019 12.687 9.689 1.00 37.79 H new ATOM 0 HA ASP A 84 5.464 13.478 7.235 1.00 38.33 H new ATOM 0 HB2 ASP A 84 3.695 12.410 9.182 1.00 38.30 H new ATOM 0 HB3 ASP A 84 3.235 12.720 7.725 1.00 38.30 H new ATOM 626 N LEU A 85 4.275 15.270 9.606 1.00 34.84 N ATOM 627 CA LEU A 85 3.727 16.593 9.928 1.00 31.93 C ATOM 628 C LEU A 85 4.741 17.723 9.745 1.00 27.72 C ATOM 629 O LEU A 85 4.371 18.822 9.333 1.00 28.53 O ATOM 630 CB LEU A 85 3.128 16.636 11.342 1.00 33.19 C ATOM 631 CG LEU A 85 2.386 17.930 11.721 1.00 33.33 C ATOM 632 CD1 LEU A 85 1.238 18.235 10.758 1.00 30.91 C ATOM 633 CD2 LEU A 85 1.874 17.871 13.139 1.00 34.63 C ATOM 0 H LEU A 85 4.410 14.765 10.289 1.00 34.84 H new ATOM 0 HA LEU A 85 3.014 16.741 9.287 1.00 31.93 H new ATOM 0 HB2 LEU A 85 2.513 15.892 11.436 1.00 33.19 H new ATOM 0 HB3 LEU A 85 3.844 16.495 11.982 1.00 33.19 H new ATOM 0 HG LEU A 85 3.031 18.652 11.653 1.00 33.33 H new ATOM 0 HD11 LEU A 85 0.797 19.055 11.030 1.00 30.91 H new ATOM 0 HD12 LEU A 85 1.588 18.339 9.859 1.00 30.91 H new ATOM 0 HD13 LEU A 85 0.600 17.505 10.773 1.00 30.91 H new ATOM 0 HD21 LEU A 85 1.412 18.697 13.351 1.00 34.63 H new ATOM 0 HD22 LEU A 85 1.261 17.125 13.231 1.00 34.63 H new ATOM 0 HD23 LEU A 85 2.620 17.753 13.748 1.00 34.63 H new ATOM 634 N ILE A 86 6.009 17.455 10.055 1.00 24.21 N ATOM 635 CA ILE A 86 7.066 18.440 9.829 1.00 23.12 C ATOM 636 C ILE A 86 7.248 18.673 8.322 1.00 21.89 C ATOM 637 O ILE A 86 7.439 19.811 7.882 1.00 18.28 O ATOM 638 CB ILE A 86 8.399 18.019 10.521 1.00 24.46 C ATOM 639 CG1 ILE A 86 8.205 17.802 12.033 1.00 24.24 C ATOM 640 CG2 ILE A 86 9.520 19.038 10.247 1.00 22.87 C ATOM 641 CD1 ILE A 86 7.778 19.030 12.836 1.00 24.88 C ATOM 0 H ILE A 86 6.277 16.712 10.396 1.00 24.21 H new ATOM 0 HA ILE A 86 6.800 19.280 10.235 1.00 23.12 H new ATOM 0 HB ILE A 86 8.670 17.171 10.135 1.00 24.46 H new ATOM 0 HG12 ILE A 86 7.540 17.107 12.159 1.00 24.24 H new ATOM 0 HG13 ILE A 86 9.037 17.469 12.403 1.00 24.24 H new ATOM 0 HG21 ILE A 86 10.334 18.750 10.689 1.00 22.87 H new ATOM 0 HG22 ILE A 86 9.675 19.099 9.291 1.00 22.87 H new ATOM 0 HG23 ILE A 86 9.258 19.907 10.588 1.00 22.87 H new ATOM 0 HD11 ILE A 86 7.684 18.789 13.771 1.00 24.88 H new ATOM 0 HD12 ILE A 86 8.450 19.724 12.748 1.00 24.88 H new ATOM 0 HD13 ILE A 86 6.929 19.357 12.500 1.00 24.88 H new ATOM 642 N SER A 87 7.161 17.597 7.541 1.00 20.97 N ATOM 643 CA SER A 87 7.225 17.684 6.077 1.00 24.63 C ATOM 644 C SER A 87 6.107 18.556 5.503 1.00 21.84 C ATOM 645 O SER A 87 6.352 19.378 4.615 1.00 18.37 O ATOM 646 CB SER A 87 7.180 16.294 5.443 1.00 21.23 C ATOM 647 OG SER A 87 8.434 15.655 5.568 1.00 29.69 O ATOM 0 H SER A 87 7.063 16.797 7.841 1.00 20.97 H new ATOM 0 HA SER A 87 8.072 18.104 5.859 1.00 24.63 H new ATOM 0 HB2 SER A 87 6.494 15.759 5.871 1.00 21.23 H new ATOM 0 HB3 SER A 87 6.940 16.367 4.506 1.00 21.23 H new ATOM 0 HG SER A 87 8.444 15.193 6.269 1.00 29.69 H new ATOM 648 N ASN A 88 4.892 18.373 6.021 1.00 21.25 N ATOM 649 CA ASN A 88 3.746 19.197 5.643 1.00 23.02 C ATOM 650 C ASN A 88 3.978 20.671 5.946 1.00 23.30 C ATOM 651 O ASN A 88 3.685 21.530 5.114 1.00 24.58 O ATOM 652 CB ASN A 88 2.471 18.717 6.340 1.00 27.12 C ATOM 653 CG ASN A 88 1.219 19.398 5.805 1.00 35.89 C ATOM 654 OD1 ASN A 88 0.911 19.316 4.613 1.00 39.62 O ATOM 655 ND2 ASN A 88 0.494 20.079 6.685 1.00 35.19 N ATOM 0 H ASN A 88 4.710 17.766 6.602 1.00 21.25 H new ATOM 0 HA ASN A 88 3.637 19.102 4.684 1.00 23.02 H new ATOM 0 HB2 ASN A 88 2.386 17.757 6.227 1.00 27.12 H new ATOM 0 HB3 ASN A 88 2.544 18.885 7.293 1.00 27.12 H new ATOM 0 HD21 ASN A 88 -0.221 20.484 6.431 1.00 35.19 H new ATOM 0 HD22 ASN A 88 0.739 20.114 7.509 1.00 35.19 H new ATOM 656 N ILE A 89 4.500 20.950 7.140 1.00 18.68 N ATOM 657 CA ILE A 89 4.841 22.311 7.552 1.00 19.89 C ATOM 658 C ILE A 89 5.951 22.870 6.658 1.00 18.95 C ATOM 659 O ILE A 89 5.880 24.019 6.218 1.00 18.74 O ATOM 660 CB ILE A 89 5.252 22.345 9.057 1.00 18.31 C ATOM 661 CG1 ILE A 89 4.028 22.114 9.949 1.00 19.92 C ATOM 662 CG2 ILE A 89 5.911 23.673 9.418 1.00 15.50 C ATOM 663 CD1 ILE A 89 4.357 21.716 11.382 1.00 19.45 C ATOM 0 H ILE A 89 4.667 20.353 7.736 1.00 18.68 H new ATOM 0 HA ILE A 89 4.058 22.875 7.450 1.00 19.89 H new ATOM 0 HB ILE A 89 5.895 21.634 9.205 1.00 18.31 H new ATOM 0 HG12 ILE A 89 3.496 22.925 9.965 1.00 19.92 H new ATOM 0 HG13 ILE A 89 3.478 21.421 9.551 1.00 19.92 H new ATOM 0 HG21 ILE A 89 6.156 23.668 10.356 1.00 15.50 H new ATOM 0 HG22 ILE A 89 6.706 23.797 8.877 1.00 15.50 H new ATOM 0 HG23 ILE A 89 5.290 24.399 9.250 1.00 15.50 H new ATOM 0 HD11 ILE A 89 3.534 21.589 11.880 1.00 19.45 H new ATOM 0 HD12 ILE A 89 4.864 20.889 11.380 1.00 19.45 H new ATOM 0 HD13 ILE A 89 4.882 22.416 11.800 1.00 19.45 H new ATOM 664 N ASN A 90 6.964 22.045 6.391 1.00 15.35 N ATOM 665 CA ASN A 90 8.074 22.420 5.513 1.00 16.06 C ATOM 666 C ASN A 90 7.597 22.850 4.128 1.00 13.18 C ATOM 667 O ASN A 90 8.012 23.893 3.632 1.00 17.00 O ATOM 668 CB ASN A 90 9.092 21.276 5.399 1.00 15.74 C ATOM 669 CG ASN A 90 10.518 21.766 5.148 1.00 24.00 C ATOM 670 OD1 ASN A 90 11.476 21.015 5.334 1.00 28.57 O ATOM 671 ND2 ASN A 90 10.664 23.023 4.730 1.00 21.86 N ATOM 0 H ASN A 90 7.027 21.251 6.714 1.00 15.35 H new ATOM 0 HA ASN A 90 8.508 23.186 5.920 1.00 16.06 H new ATOM 0 HB2 ASN A 90 9.075 20.752 6.215 1.00 15.74 H new ATOM 0 HB3 ASN A 90 8.827 20.685 4.677 1.00 15.74 H new ATOM 0 HD21 ASN A 90 11.450 23.338 4.580 1.00 21.86 H new ATOM 0 HD22 ASN A 90 9.972 23.520 4.611 1.00 21.86 H new ATOM 672 N VAL A 91 6.712 22.057 3.522 1.00 17.48 N ATOM 673 CA VAL A 91 6.163 22.375 2.198 1.00 15.14 C ATOM 674 C VAL A 91 5.458 23.735 2.202 1.00 18.42 C ATOM 675 O VAL A 91 5.720 24.576 1.337 1.00 18.93 O ATOM 676 CB VAL A 91 5.224 21.256 1.672 1.00 16.85 C ATOM 677 CG1 VAL A 91 4.461 21.710 0.425 1.00 19.15 C ATOM 678 CG2 VAL A 91 6.017 19.992 1.366 1.00 14.54 C ATOM 0 H VAL A 91 6.414 21.325 3.862 1.00 17.48 H new ATOM 0 HA VAL A 91 6.912 22.429 1.585 1.00 15.14 H new ATOM 0 HB VAL A 91 4.578 21.063 2.369 1.00 16.85 H new ATOM 0 HG11 VAL A 91 3.884 20.993 0.119 1.00 19.15 H new ATOM 0 HG12 VAL A 91 3.923 22.488 0.640 1.00 19.15 H new ATOM 0 HG13 VAL A 91 5.092 21.937 -0.276 1.00 19.15 H new ATOM 0 HG21 VAL A 91 5.416 19.304 1.039 1.00 14.54 H new ATOM 0 HG22 VAL A 91 6.686 20.185 0.690 1.00 14.54 H new ATOM 0 HG23 VAL A 91 6.455 19.681 2.174 1.00 14.54 H new ATOM 679 N ILE A 92 4.595 23.950 3.195 1.00 19.88 N ATOM 680 CA ILE A 92 3.847 25.201 3.344 1.00 19.02 C ATOM 681 C ILE A 92 4.760 26.412 3.576 1.00 17.43 C ATOM 682 O ILE A 92 4.588 27.451 2.939 1.00 19.63 O ATOM 683 CB ILE A 92 2.792 25.074 4.484 1.00 21.92 C ATOM 684 CG1 ILE A 92 1.698 24.072 4.096 1.00 23.93 C ATOM 685 CG2 ILE A 92 2.179 26.437 4.827 1.00 20.20 C ATOM 686 CD1 ILE A 92 0.929 23.497 5.278 1.00 24.18 C ATOM 0 H ILE A 92 4.425 23.370 3.806 1.00 19.88 H new ATOM 0 HA ILE A 92 3.386 25.358 2.505 1.00 19.02 H new ATOM 0 HB ILE A 92 3.246 24.744 5.275 1.00 21.92 H new ATOM 0 HG12 ILE A 92 1.072 24.508 3.497 1.00 23.93 H new ATOM 0 HG13 ILE A 92 2.103 23.343 3.601 1.00 23.93 H new ATOM 0 HG21 ILE A 92 1.527 26.329 5.537 1.00 20.20 H new ATOM 0 HG22 ILE A 92 2.878 27.042 5.119 1.00 20.20 H new ATOM 0 HG23 ILE A 92 1.743 26.803 4.042 1.00 20.20 H new ATOM 0 HD11 ILE A 92 0.258 22.875 4.956 1.00 24.18 H new ATOM 0 HD12 ILE A 92 1.543 23.033 5.869 1.00 24.18 H new ATOM 0 HD13 ILE A 92 0.496 24.217 5.763 1.00 24.18 H new ATOM 687 N VAL A 93 5.722 26.279 4.487 1.00 18.08 N ATOM 688 CA VAL A 93 6.656 27.371 4.779 1.00 22.19 C ATOM 689 C VAL A 93 7.465 27.739 3.529 1.00 24.36 C ATOM 690 O VAL A 93 7.647 28.922 3.228 1.00 26.35 O ATOM 691 CB VAL A 93 7.589 27.038 5.980 1.00 23.06 C ATOM 692 CG1 VAL A 93 8.745 28.031 6.087 1.00 23.94 C ATOM 693 CG2 VAL A 93 6.800 27.014 7.280 1.00 19.13 C ATOM 0 H VAL A 93 5.853 25.565 4.948 1.00 18.08 H new ATOM 0 HA VAL A 93 6.130 28.143 5.040 1.00 22.19 H new ATOM 0 HB VAL A 93 7.964 26.158 5.821 1.00 23.06 H new ATOM 0 HG11 VAL A 93 9.305 27.796 6.843 1.00 23.94 H new ATOM 0 HG12 VAL A 93 9.272 28.003 5.273 1.00 23.94 H new ATOM 0 HG13 VAL A 93 8.393 28.926 6.213 1.00 23.94 H new ATOM 0 HG21 VAL A 93 7.396 26.805 8.017 1.00 19.13 H new ATOM 0 HG22 VAL A 93 6.395 27.883 7.429 1.00 19.13 H new ATOM 0 HG23 VAL A 93 6.106 26.339 7.225 1.00 19.13 H new ATOM 694 N LEU A 94 7.913 26.723 2.793 1.00 23.93 N ATOM 695 CA LEU A 94 8.694 26.931 1.575 1.00 26.03 C ATOM 696 C LEU A 94 7.899 27.614 0.466 1.00 27.72 C ATOM 697 O LEU A 94 8.441 28.429 -0.280 1.00 29.47 O ATOM 698 CB LEU A 94 9.260 25.610 1.064 1.00 24.31 C ATOM 699 CG LEU A 94 10.605 25.185 1.648 1.00 30.74 C ATOM 700 CD1 LEU A 94 10.868 23.728 1.315 1.00 28.30 C ATOM 701 CD2 LEU A 94 11.733 26.073 1.133 1.00 32.09 C ATOM 0 H LEU A 94 7.773 25.896 2.985 1.00 23.93 H new ATOM 0 HA LEU A 94 9.420 27.526 1.818 1.00 26.03 H new ATOM 0 HB2 LEU A 94 8.613 24.910 1.246 1.00 24.31 H new ATOM 0 HB3 LEU A 94 9.351 25.669 0.100 1.00 24.31 H new ATOM 0 HG LEU A 94 10.572 25.287 2.612 1.00 30.74 H new ATOM 0 HD11 LEU A 94 11.723 23.460 1.687 1.00 28.30 H new ATOM 0 HD12 LEU A 94 10.165 23.177 1.693 1.00 28.30 H new ATOM 0 HD13 LEU A 94 10.885 23.614 0.352 1.00 28.30 H new ATOM 0 HD21 LEU A 94 12.575 25.783 1.518 1.00 32.09 H new ATOM 0 HD22 LEU A 94 11.781 26.008 0.166 1.00 32.09 H new ATOM 0 HD23 LEU A 94 11.562 26.993 1.387 1.00 32.09 H new ATOM 702 N GLU A 95 6.619 27.274 0.360 1.00 25.13 N ATOM 703 CA GLU A 95 5.762 27.854 -0.668 1.00 27.63 C ATOM 704 C GLU A 95 5.282 29.250 -0.277 1.00 29.06 C ATOM 705 O GLU A 95 5.022 30.084 -1.145 1.00 29.50 O ATOM 706 CB GLU A 95 4.576 26.935 -0.969 1.00 24.52 C ATOM 707 CG GLU A 95 4.969 25.655 -1.696 1.00 23.36 C ATOM 708 CD GLU A 95 3.825 24.663 -1.825 1.00 26.36 C ATOM 709 OE1 GLU A 95 2.793 24.827 -1.136 1.00 23.16 O ATOM 710 OE2 GLU A 95 3.963 23.708 -2.621 1.00 25.90 O ATOM 0 H GLU A 95 6.226 26.708 0.875 1.00 25.13 H new ATOM 0 HA GLU A 95 6.292 27.943 -1.475 1.00 27.63 H new ATOM 0 HB2 GLU A 95 4.136 26.703 -0.136 1.00 24.52 H new ATOM 0 HB3 GLU A 95 3.930 27.419 -1.507 1.00 24.52 H new ATOM 0 HG2 GLU A 95 5.295 25.880 -2.581 1.00 23.36 H new ATOM 0 HG3 GLU A 95 5.703 25.233 -1.222 1.00 23.36 H new ATOM 711 N LEU A 96 5.179 29.501 1.026 1.00 26.84 N ATOM 712 CA LEU A 96 4.735 30.798 1.526 1.00 28.76 C ATOM 713 C LEU A 96 5.834 31.856 1.476 1.00 30.83 C ATOM 714 O LEU A 96 5.611 32.949 0.957 1.00 35.11 O ATOM 715 CB LEU A 96 4.173 30.683 2.949 1.00 26.17 C ATOM 716 CG LEU A 96 2.703 30.272 3.099 1.00 25.04 C ATOM 717 CD1 LEU A 96 2.381 30.011 4.558 1.00 20.99 C ATOM 718 CD2 LEU A 96 1.751 31.318 2.517 1.00 23.11 C ATOM 0 H LEU A 96 5.363 28.928 1.641 1.00 26.84 H new ATOM 0 HA LEU A 96 4.026 31.089 0.931 1.00 28.76 H new ATOM 0 HB2 LEU A 96 4.714 30.040 3.434 1.00 26.17 H new ATOM 0 HB3 LEU A 96 4.290 31.540 3.387 1.00 26.17 H new ATOM 0 HG LEU A 96 2.573 29.455 2.592 1.00 25.04 H new ATOM 0 HD11 LEU A 96 1.450 29.752 4.643 1.00 20.99 H new ATOM 0 HD12 LEU A 96 2.947 29.297 4.892 1.00 20.99 H new ATOM 0 HD13 LEU A 96 2.540 30.817 5.074 1.00 20.99 H new ATOM 0 HD21 LEU A 96 0.835 31.021 2.632 1.00 23.11 H new ATOM 0 HD22 LEU A 96 1.877 32.162 2.978 1.00 23.11 H new ATOM 0 HD23 LEU A 96 1.937 31.435 1.572 1.00 23.11 H new ATOM 719 N LYS A 97 7.011 31.532 2.013 1.00 31.56 N ATOM 720 CA LYS A 97 8.110 32.497 2.105 1.00 35.44 C ATOM 721 C LYS A 97 8.707 32.876 0.745 1.00 37.64 C ATOM 722 O LYS A 97 9.243 33.974 0.588 1.00 39.78 O ATOM 723 CB LYS A 97 9.198 32.018 3.080 1.00 33.71 C ATOM 724 CG LYS A 97 10.100 30.918 2.553 1.00 34.12 C ATOM 725 CD LYS A 97 11.432 30.888 3.280 1.00 34.14 C ATOM 726 CE LYS A 97 12.372 29.900 2.620 1.00 33.46 C ATOM 727 NZ LYS A 97 13.369 30.579 1.750 1.00 37.74 N ATOM 0 H LYS A 97 7.195 30.755 2.332 1.00 31.56 H new ATOM 0 HA LYS A 97 7.719 33.311 2.460 1.00 35.44 H new ATOM 0 HB2 LYS A 97 9.749 32.778 3.326 1.00 33.71 H new ATOM 0 HB3 LYS A 97 8.769 31.704 3.891 1.00 33.71 H new ATOM 0 HG2 LYS A 97 9.657 30.061 2.653 1.00 34.12 H new ATOM 0 HG3 LYS A 97 10.252 31.050 1.604 1.00 34.12 H new ATOM 0 HD2 LYS A 97 11.829 31.773 3.276 1.00 34.14 H new ATOM 0 HD3 LYS A 97 11.295 30.642 4.208 1.00 34.14 H new ATOM 0 HE2 LYS A 97 12.834 29.388 3.302 1.00 33.46 H new ATOM 0 HE3 LYS A 97 11.859 29.269 2.091 1.00 33.46 H new ATOM 0 HZ1 LYS A 97 13.693 29.997 1.159 1.00 37.74 H new ATOM 0 HZ2 LYS A 97 12.978 31.252 1.319 1.00 37.74 H new ATOM 0 HZ3 LYS A 97 14.034 30.894 2.250 1.00 37.74 H new ATOM 728 N GLY A 98 8.607 31.968 -0.226 1.00 41.66 N ATOM 729 CA GLY A 98 9.075 32.214 -1.581 1.00 44.25 C ATOM 730 C GLY A 98 10.575 32.424 -1.682 1.00 44.28 C ATOM 731 O GLY A 98 11.361 31.545 -1.328 1.00 44.12 O ATOM 0 H GLY A 98 8.263 31.188 -0.112 1.00 41.66 H new ATOM 0 HA2 GLY A 98 8.823 31.464 -2.142 1.00 44.25 H new ATOM 0 HA3 GLY A 98 8.623 32.996 -1.933 1.00 44.25 H new ATOM 732 N PHE A 103 17.232 36.848 1.926 1.00 66.08 N ATOM 733 CA PHE A 103 16.993 37.307 3.291 1.00 66.13 C ATOM 734 C PHE A 103 17.574 36.337 4.318 1.00 64.88 C ATOM 735 O PHE A 103 17.291 35.137 4.285 1.00 65.77 O ATOM 736 CB PHE A 103 15.491 37.513 3.538 1.00 66.39 C ATOM 737 CG PHE A 103 15.148 37.882 4.961 1.00 66.84 C ATOM 738 CD1 PHE A 103 15.409 39.162 5.448 1.00 67.77 C ATOM 739 CD2 PHE A 103 14.558 36.950 5.811 1.00 66.41 C ATOM 740 CE1 PHE A 103 15.092 39.506 6.762 1.00 68.12 C ATOM 741 CE2 PHE A 103 14.239 37.283 7.127 1.00 67.04 C ATOM 742 CZ PHE A 103 14.507 38.564 7.603 1.00 67.66 C ATOM 0 HA PHE A 103 17.446 38.158 3.397 1.00 66.13 H new ATOM 0 HB2 PHE A 103 15.168 38.210 2.946 1.00 66.39 H new ATOM 0 HB3 PHE A 103 15.019 36.699 3.302 1.00 66.39 H new ATOM 0 HD1 PHE A 103 15.800 39.795 4.889 1.00 67.77 H new ATOM 0 HD2 PHE A 103 14.374 36.094 5.497 1.00 66.41 H new ATOM 0 HE1 PHE A 103 15.271 40.363 7.075 1.00 68.12 H new ATOM 0 HE2 PHE A 103 13.848 36.651 7.686 1.00 67.04 H new ATOM 0 HZ PHE A 103 14.296 38.789 8.480 1.00 67.66 H new ATOM 743 N MET A 104 18.386 36.872 5.227 1.00 62.64 N ATOM 744 CA MET A 104 18.946 36.090 6.324 1.00 60.33 C ATOM 745 C MET A 104 18.204 36.385 7.624 1.00 54.65 C ATOM 746 O MET A 104 18.055 37.546 8.017 1.00 53.54 O ATOM 747 CB MET A 104 20.444 36.361 6.478 1.00 62.68 C ATOM 748 CG MET A 104 21.324 35.371 5.724 1.00 66.65 C ATOM 749 SD MET A 104 22.506 36.172 4.620 1.00 72.18 S ATOM 750 CE MET A 104 21.501 36.432 3.148 1.00 70.84 C ATOM 0 H MET A 104 18.627 37.698 5.224 1.00 62.64 H new ATOM 0 HA MET A 104 18.833 35.149 6.116 1.00 60.33 H new ATOM 0 HB2 MET A 104 20.637 37.258 6.163 1.00 62.68 H new ATOM 0 HB3 MET A 104 20.675 36.335 7.420 1.00 62.68 H new ATOM 0 HG2 MET A 104 21.806 34.824 6.363 1.00 66.65 H new ATOM 0 HG3 MET A 104 20.760 34.774 5.207 1.00 66.65 H new ATOM 0 HE1 MET A 104 22.035 36.866 2.464 1.00 70.84 H new ATOM 0 HE2 MET A 104 21.185 35.577 2.817 1.00 70.84 H new ATOM 0 HE3 MET A 104 20.742 36.993 3.369 1.00 70.84 H new ATOM 751 N CYS A 105 17.735 35.323 8.275 1.00 49.28 N ATOM 752 CA CYS A 105 16.962 35.424 9.511 1.00 43.22 C ATOM 753 C CYS A 105 17.756 36.067 10.643 1.00 41.02 C ATOM 754 O CYS A 105 18.899 35.684 10.908 1.00 42.22 O ATOM 755 CB CYS A 105 16.477 34.040 9.950 1.00 39.16 C ATOM 756 SG CYS A 105 15.752 34.007 11.607 1.00 36.98 S ATOM 0 H CYS A 105 17.858 34.515 8.009 1.00 49.28 H new ATOM 0 HA CYS A 105 16.202 35.996 9.321 1.00 43.22 H new ATOM 0 HB2 CYS A 105 15.819 33.721 9.313 1.00 39.16 H new ATOM 0 HB3 CYS A 105 17.224 33.421 9.921 1.00 39.16 H new ATOM 757 N GLU A 106 17.140 37.043 11.305 1.00 39.16 N ATOM 758 CA GLU A 106 17.731 37.665 12.484 1.00 41.01 C ATOM 759 C GLU A 106 17.130 37.053 13.744 1.00 39.43 C ATOM 760 O GLU A 106 15.913 37.095 13.950 1.00 37.31 O ATOM 761 CB GLU A 106 17.524 39.180 12.464 1.00 43.43 C ATOM 762 CG GLU A 106 18.803 39.973 12.245 1.00 48.35 C ATOM 763 CD GLU A 106 18.715 41.386 12.788 1.00 50.61 C ATOM 764 OE1 GLU A 106 18.096 42.245 12.122 1.00 51.03 O ATOM 765 OE2 GLU A 106 19.267 41.637 13.881 1.00 49.03 O ATOM 0 H GLU A 106 16.372 37.361 11.084 1.00 39.16 H new ATOM 0 HA GLU A 106 18.687 37.499 12.479 1.00 41.01 H new ATOM 0 HB2 GLU A 106 16.892 39.402 11.763 1.00 43.43 H new ATOM 0 HB3 GLU A 106 17.124 39.454 13.304 1.00 43.43 H new ATOM 0 HG2 GLU A 106 19.542 39.512 12.672 1.00 48.35 H new ATOM 0 HG3 GLU A 106 19.000 40.007 11.296 1.00 48.35 H new ATOM 766 N TYR A 107 17.990 36.478 14.579 1.00 37.93 N ATOM 767 CA TYR A 107 17.548 35.780 15.780 1.00 37.90 C ATOM 768 C TYR A 107 17.665 36.639 17.028 1.00 38.29 C ATOM 769 O TYR A 107 18.604 37.425 17.163 1.00 40.51 O ATOM 770 CB TYR A 107 18.343 34.489 15.971 1.00 35.36 C ATOM 771 CG TYR A 107 17.925 33.367 15.050 1.00 38.76 C ATOM 772 CD1 TYR A 107 16.719 32.694 15.240 1.00 38.49 C ATOM 773 CD2 TYR A 107 18.738 32.975 13.987 1.00 40.20 C ATOM 774 CE1 TYR A 107 16.332 31.661 14.397 1.00 37.85 C ATOM 775 CE2 TYR A 107 18.360 31.941 13.139 1.00 41.51 C ATOM 776 CZ TYR A 107 17.158 31.291 13.351 1.00 38.73 C ATOM 777 OH TYR A 107 16.780 30.271 12.517 1.00 38.00 O ATOM 0 H TYR A 107 18.842 36.482 14.466 1.00 37.93 H new ATOM 0 HA TYR A 107 16.609 35.572 15.652 1.00 37.90 H new ATOM 0 HB2 TYR A 107 19.284 34.676 15.831 1.00 35.36 H new ATOM 0 HB3 TYR A 107 18.246 34.194 16.890 1.00 35.36 H new ATOM 0 HD1 TYR A 107 16.164 32.941 15.944 1.00 38.49 H new ATOM 0 HD2 TYR A 107 19.546 33.412 13.843 1.00 40.20 H new ATOM 0 HE1 TYR A 107 15.524 31.221 14.534 1.00 37.85 H new ATOM 0 HE2 TYR A 107 18.911 31.688 12.434 1.00 41.51 H new ATOM 0 HH TYR A 107 17.225 30.311 11.806 1.00 38.00 H new ATOM 778 N ALA A 108 16.702 36.482 17.934 1.00 36.36 N ATOM 779 CA ALA A 108 16.775 37.095 19.257 1.00 37.70 C ATOM 780 C ALA A 108 17.843 36.394 20.093 1.00 37.04 C ATOM 781 O ALA A 108 18.161 35.228 19.852 1.00 36.85 O ATOM 782 CB ALA A 108 15.422 37.032 19.953 1.00 36.98 C ATOM 0 H ALA A 108 15.990 36.018 17.799 1.00 36.36 H new ATOM 0 HA ALA A 108 17.017 38.029 19.157 1.00 37.70 H new ATOM 0 HB1 ALA A 108 15.489 37.443 20.829 1.00 36.98 H new ATOM 0 HB2 ALA A 108 14.763 37.507 19.423 1.00 36.98 H new ATOM 0 HB3 ALA A 108 15.151 36.106 20.051 1.00 36.98 H new ATOM 783 N ASP A 109 18.393 37.113 21.069 1.00 40.91 N ATOM 784 CA ASP A 109 19.456 36.594 21.929 1.00 40.58 C ATOM 785 C ASP A 109 18.973 35.477 22.854 1.00 39.67 C ATOM 786 O ASP A 109 19.641 34.451 22.995 1.00 40.05 O ATOM 787 CB ASP A 109 20.078 37.728 22.749 1.00 45.42 C ATOM 788 CG ASP A 109 21.531 37.978 22.393 1.00 49.75 C ATOM 789 OD1 ASP A 109 22.404 37.231 22.887 1.00 50.85 O ATOM 790 OD2 ASP A 109 21.895 38.899 21.631 1.00 50.96 O ATOM 0 H ASP A 109 18.159 37.920 21.252 1.00 40.91 H new ATOM 0 HA ASP A 109 20.128 36.209 21.345 1.00 40.58 H new ATOM 0 HB2 ASP A 109 19.569 38.542 22.607 1.00 45.42 H new ATOM 0 HB3 ASP A 109 20.012 37.514 23.693 1.00 45.42 H new ATOM 791 N GLU A 110 17.815 35.684 23.478 1.00 37.11 N ATOM 792 CA GLU A 110 17.229 34.707 24.393 1.00 37.82 C ATOM 793 C GLU A 110 16.557 33.560 23.639 1.00 35.37 C ATOM 794 O GLU A 110 15.820 33.780 22.673 1.00 34.11 O ATOM 795 CB GLU A 110 16.210 35.375 25.326 1.00 41.21 C ATOM 796 CG GLU A 110 16.723 36.597 26.077 1.00 46.50 C ATOM 797 CD GLU A 110 17.464 36.243 27.355 1.00 51.33 C ATOM 798 OE1 GLU A 110 16.855 35.615 28.251 1.00 52.09 O ATOM 799 OE2 GLU A 110 18.658 36.599 27.465 1.00 53.77 O ATOM 0 H GLU A 110 17.345 36.398 23.382 1.00 37.11 H new ATOM 0 HA GLU A 110 17.955 34.342 24.922 1.00 37.82 H new ATOM 0 HB2 GLU A 110 15.436 35.636 24.803 1.00 41.21 H new ATOM 0 HB3 GLU A 110 15.907 34.719 25.973 1.00 41.21 H new ATOM 0 HG2 GLU A 110 17.313 37.102 25.497 1.00 46.50 H new ATOM 0 HG3 GLU A 110 15.975 37.175 26.293 1.00 46.50 H new ATOM 800 N THR A 111 16.817 32.337 24.089 1.00 32.18 N ATOM 801 CA THR A 111 16.181 31.155 23.518 1.00 30.45 C ATOM 802 C THR A 111 14.829 30.909 24.177 1.00 30.85 C ATOM 803 O THR A 111 14.440 31.625 25.106 1.00 29.62 O ATOM 804 CB THR A 111 17.073 29.911 23.687 1.00 29.14 C ATOM 805 OG1 THR A 111 17.360 29.720 25.077 1.00 27.83 O ATOM 806 CG2 THR A 111 18.442 30.128 23.049 1.00 25.08 C ATOM 0 H THR A 111 17.364 32.169 24.731 1.00 32.18 H new ATOM 0 HA THR A 111 16.051 31.316 22.570 1.00 30.45 H new ATOM 0 HB THR A 111 16.600 29.166 23.283 1.00 29.14 H new ATOM 0 HG1 THR A 111 18.062 30.135 25.278 1.00 27.83 H new ATOM 0 HG21 THR A 111 18.984 29.333 23.168 1.00 25.08 H new ATOM 0 HG22 THR A 111 18.333 30.306 22.102 1.00 25.08 H new ATOM 0 HG23 THR A 111 18.880 30.884 23.471 1.00 25.08 H new ATOM 807 N ALA A 112 14.123 29.889 23.694 1.00 27.80 N ATOM 808 CA ALA A 112 12.822 29.517 24.236 1.00 28.08 C ATOM 809 C ALA A 112 12.638 28.003 24.277 1.00 24.91 C ATOM 810 O ALA A 112 13.344 27.261 23.591 1.00 24.42 O ATOM 811 CB ALA A 112 11.712 30.164 23.423 1.00 30.49 C ATOM 0 H ALA A 112 14.387 29.394 23.042 1.00 27.80 H new ATOM 0 HA ALA A 112 12.779 29.841 25.149 1.00 28.08 H new ATOM 0 HB1 ALA A 112 10.851 29.911 23.791 1.00 30.49 H new ATOM 0 HB2 ALA A 112 11.806 31.129 23.457 1.00 30.49 H new ATOM 0 HB3 ALA A 112 11.770 29.866 22.502 1.00 30.49 H new ATOM 812 N THR A 113 11.691 27.555 25.096 1.00 18.55 N ATOM 813 CA THR A 113 11.279 26.156 25.106 1.00 20.27 C ATOM 814 C THR A 113 10.458 25.867 23.854 1.00 18.96 C ATOM 815 O THR A 113 10.034 26.789 23.153 1.00 17.14 O ATOM 816 CB THR A 113 10.424 25.834 26.349 1.00 17.88 C ATOM 817 OG1 THR A 113 9.192 26.565 26.280 1.00 15.88 O ATOM 818 CG2 THR A 113 11.086 26.335 27.633 1.00 12.63 C ATOM 0 H THR A 113 11.271 28.051 25.659 1.00 18.55 H new ATOM 0 HA THR A 113 12.076 25.604 25.128 1.00 20.27 H new ATOM 0 HB THR A 113 10.306 24.871 26.362 1.00 17.88 H new ATOM 0 HG1 THR A 113 8.914 26.721 27.057 1.00 15.88 H new ATOM 0 HG21 THR A 113 10.524 26.117 28.393 1.00 12.63 H new ATOM 0 HG22 THR A 113 11.951 25.910 27.738 1.00 12.63 H new ATOM 0 HG23 THR A 113 11.203 27.297 27.583 1.00 12.63 H new ATOM 819 N ILE A 114 10.229 24.583 23.594 1.00 17.15 N ATOM 820 CA ILE A 114 9.388 24.136 22.490 1.00 14.61 C ATOM 821 C ILE A 114 7.989 24.770 22.533 1.00 17.59 C ATOM 822 O ILE A 114 7.430 25.111 21.490 1.00 17.66 O ATOM 823 CB ILE A 114 9.327 22.576 22.465 1.00 18.82 C ATOM 824 CG1 ILE A 114 8.647 22.071 21.186 1.00 19.27 C ATOM 825 CG2 ILE A 114 8.675 22.011 23.746 1.00 18.03 C ATOM 826 CD1 ILE A 114 9.158 20.721 20.712 1.00 18.30 C ATOM 0 H ILE A 114 10.562 23.941 24.059 1.00 17.15 H new ATOM 0 HA ILE A 114 9.790 24.438 21.660 1.00 14.61 H new ATOM 0 HB ILE A 114 10.237 22.241 22.452 1.00 18.82 H new ATOM 0 HG12 ILE A 114 7.691 22.010 21.340 1.00 19.27 H new ATOM 0 HG13 ILE A 114 8.779 22.723 20.480 1.00 19.27 H new ATOM 0 HG21 ILE A 114 8.653 21.042 23.698 1.00 18.03 H new ATOM 0 HG22 ILE A 114 9.192 22.284 24.520 1.00 18.03 H new ATOM 0 HG23 ILE A 114 7.770 22.351 23.826 1.00 18.03 H new ATOM 0 HD11 ILE A 114 8.688 20.463 19.904 1.00 18.30 H new ATOM 0 HD12 ILE A 114 10.108 20.781 20.528 1.00 18.30 H new ATOM 0 HD13 ILE A 114 9.004 20.056 21.401 1.00 18.30 H new ATOM 827 N VAL A 115 7.451 24.947 23.741 1.00 16.28 N ATOM 828 CA VAL A 115 6.104 25.485 23.939 1.00 16.81 C ATOM 829 C VAL A 115 6.006 26.971 23.559 1.00 21.47 C ATOM 830 O VAL A 115 5.100 27.369 22.819 1.00 19.16 O ATOM 831 CB VAL A 115 5.605 25.251 25.395 1.00 17.77 C ATOM 832 CG1 VAL A 115 4.375 26.105 25.710 1.00 17.40 C ATOM 833 CG2 VAL A 115 5.303 23.774 25.628 1.00 14.53 C ATOM 0 H VAL A 115 7.860 24.757 24.473 1.00 16.28 H new ATOM 0 HA VAL A 115 5.521 24.996 23.337 1.00 16.81 H new ATOM 0 HB VAL A 115 6.316 25.522 25.997 1.00 17.77 H new ATOM 0 HG11 VAL A 115 4.089 25.937 26.622 1.00 17.40 H new ATOM 0 HG12 VAL A 115 4.598 27.044 25.609 1.00 17.40 H new ATOM 0 HG13 VAL A 115 3.657 25.876 25.099 1.00 17.40 H new ATOM 0 HG21 VAL A 115 4.994 23.646 26.539 1.00 14.53 H new ATOM 0 HG22 VAL A 115 4.615 23.483 25.010 1.00 14.53 H new ATOM 0 HG23 VAL A 115 6.108 23.252 25.484 1.00 14.53 H new ATOM 834 N GLU A 116 6.936 27.783 24.059 1.00 18.98 N ATOM 835 CA GLU A 116 6.942 29.211 23.747 1.00 24.05 C ATOM 836 C GLU A 116 7.311 29.453 22.283 1.00 20.71 C ATOM 837 O GLU A 116 6.834 30.407 21.667 1.00 19.60 O ATOM 838 CB GLU A 116 7.876 29.976 24.693 1.00 26.35 C ATOM 839 CG GLU A 116 7.563 31.464 24.857 1.00 36.66 C ATOM 840 CD GLU A 116 6.084 31.776 25.077 1.00 39.05 C ATOM 841 OE1 GLU A 116 5.457 31.178 25.982 1.00 41.62 O ATOM 842 OE2 GLU A 116 5.547 32.635 24.343 1.00 39.17 O ATOM 0 H GLU A 116 7.571 27.527 24.580 1.00 18.98 H new ATOM 0 HA GLU A 116 6.044 29.551 23.882 1.00 24.05 H new ATOM 0 HB2 GLU A 116 7.843 29.555 25.566 1.00 26.35 H new ATOM 0 HB3 GLU A 116 8.786 29.886 24.369 1.00 26.35 H new ATOM 0 HG2 GLU A 116 8.071 31.809 25.608 1.00 36.66 H new ATOM 0 HG3 GLU A 116 7.868 31.937 24.067 1.00 36.66 H new ATOM 843 N PHE A 117 8.149 28.574 21.738 1.00 19.26 N ATOM 844 CA PHE A 117 8.496 28.584 20.318 1.00 19.81 C ATOM 845 C PHE A 117 7.253 28.364 19.449 1.00 16.87 C ATOM 846 O PHE A 117 7.027 29.093 18.484 1.00 18.28 O ATOM 847 CB PHE A 117 9.564 27.516 20.031 1.00 16.54 C ATOM 848 CG PHE A 117 9.782 27.232 18.565 1.00 15.49 C ATOM 849 CD1 PHE A 117 10.615 28.043 17.801 1.00 14.89 C ATOM 850 CD2 PHE A 117 9.173 26.138 17.956 1.00 14.08 C ATOM 851 CE1 PHE A 117 10.829 27.776 16.451 1.00 13.73 C ATOM 852 CE2 PHE A 117 9.378 25.865 16.603 1.00 16.45 C ATOM 853 CZ PHE A 117 10.208 26.685 15.852 1.00 14.87 C ATOM 0 H PHE A 117 8.536 27.950 22.186 1.00 19.26 H new ATOM 0 HA PHE A 117 8.860 29.455 20.094 1.00 19.81 H new ATOM 0 HB2 PHE A 117 10.404 27.801 20.423 1.00 16.54 H new ATOM 0 HB3 PHE A 117 9.309 26.692 20.475 1.00 16.54 H new ATOM 0 HD1 PHE A 117 11.034 28.773 18.197 1.00 14.89 H new ATOM 0 HD2 PHE A 117 8.622 25.582 18.458 1.00 14.08 H new ATOM 0 HE1 PHE A 117 11.387 28.327 15.950 1.00 13.73 H new ATOM 0 HE2 PHE A 117 8.960 25.136 16.206 1.00 16.45 H new ATOM 0 HZ PHE A 117 10.349 26.506 14.950 1.00 14.87 H new ATOM 854 N LEU A 118 6.455 27.364 19.809 1.00 14.98 N ATOM 855 CA LEU A 118 5.232 27.042 19.081 1.00 15.66 C ATOM 856 C LEU A 118 4.189 28.141 19.244 1.00 16.42 C ATOM 857 O LEU A 118 3.544 28.531 18.271 1.00 15.47 O ATOM 858 CB LEU A 118 4.666 25.699 19.541 1.00 13.90 C ATOM 859 CG LEU A 118 5.418 24.443 19.099 1.00 17.29 C ATOM 860 CD1 LEU A 118 4.966 23.261 19.933 1.00 13.43 C ATOM 861 CD2 LEU A 118 5.238 24.161 17.609 1.00 16.66 C ATOM 0 H LEU A 118 6.607 26.852 20.483 1.00 14.98 H new ATOM 0 HA LEU A 118 5.457 26.977 18.140 1.00 15.66 H new ATOM 0 HB2 LEU A 118 4.629 25.703 20.510 1.00 13.90 H new ATOM 0 HB3 LEU A 118 3.752 25.632 19.222 1.00 13.90 H new ATOM 0 HG LEU A 118 6.366 24.593 19.241 1.00 17.29 H new ATOM 0 HD11 LEU A 118 5.444 22.465 19.652 1.00 13.43 H new ATOM 0 HD12 LEU A 118 5.152 23.435 20.869 1.00 13.43 H new ATOM 0 HD13 LEU A 118 4.013 23.125 19.813 1.00 13.43 H new ATOM 0 HD21 LEU A 118 5.729 23.359 17.370 1.00 16.66 H new ATOM 0 HD22 LEU A 118 4.296 24.033 17.415 1.00 16.66 H new ATOM 0 HD23 LEU A 118 5.575 24.911 17.094 1.00 16.66 H new ATOM 862 N ASN A 119 4.048 28.645 20.471 1.00 17.09 N ATOM 863 CA ASN A 119 3.158 29.767 20.765 1.00 20.93 C ATOM 864 C ASN A 119 3.456 31.001 19.911 1.00 21.42 C ATOM 865 O ASN A 119 2.534 31.663 19.426 1.00 23.64 O ATOM 866 CB ASN A 119 3.225 30.137 22.252 1.00 21.83 C ATOM 867 CG ASN A 119 2.382 29.224 23.125 1.00 22.28 C ATOM 868 OD1 ASN A 119 1.199 28.864 22.646 1.00 30.11 O flip ATOM 869 ND2 ASN A 119 2.788 28.858 24.223 1.00 29.54 N flip ATOM 0 H ASN A 119 4.468 28.344 21.158 1.00 17.09 H new ATOM 0 HA ASN A 119 2.262 29.470 20.543 1.00 20.93 H new ATOM 0 HB2 ASN A 119 4.148 30.100 22.549 1.00 21.83 H new ATOM 0 HB3 ASN A 119 2.927 31.053 22.367 1.00 21.83 H new ATOM 0 HD21 ASN A 119 3.561 29.111 24.502 1.00 29.54 H new ATOM 0 HD22 ASN A 119 2.300 28.348 24.714 1.00 29.54 H new ATOM 870 N ARG A 120 4.745 31.292 19.730 1.00 20.53 N ATOM 871 CA ARG A 120 5.198 32.448 18.957 1.00 20.90 C ATOM 872 C ARG A 120 4.798 32.356 17.487 1.00 19.20 C ATOM 873 O ARG A 120 4.342 33.343 16.902 1.00 19.03 O ATOM 874 CB ARG A 120 6.718 32.606 19.072 1.00 22.65 C ATOM 875 CG ARG A 120 7.312 33.759 18.259 1.00 27.88 C ATOM 876 CD ARG A 120 7.056 35.140 18.857 1.00 31.78 C ATOM 877 NE ARG A 120 7.319 36.222 17.908 1.00 33.57 N ATOM 878 CZ ARG A 120 6.465 36.643 16.979 1.00 35.92 C ATOM 879 NH1 ARG A 120 5.267 36.078 16.846 1.00 31.17 N ATOM 880 NH2 ARG A 120 6.811 37.638 16.177 1.00 36.58 N ATOM 0 H ARG A 120 5.386 30.820 20.055 1.00 20.53 H new ATOM 0 HA ARG A 120 4.760 33.228 19.332 1.00 20.90 H new ATOM 0 HB2 ARG A 120 6.946 32.735 20.006 1.00 22.65 H new ATOM 0 HB3 ARG A 120 7.138 31.779 18.789 1.00 22.65 H new ATOM 0 HG2 ARG A 120 8.269 33.625 18.177 1.00 27.88 H new ATOM 0 HG3 ARG A 120 6.944 33.732 17.362 1.00 27.88 H new ATOM 0 HD2 ARG A 120 6.135 35.193 19.156 1.00 31.78 H new ATOM 0 HD3 ARG A 120 7.616 35.258 19.640 1.00 31.78 H new ATOM 0 HE ARG A 120 8.083 36.615 17.954 1.00 33.57 H new ATOM 0 HH11 ARG A 120 5.036 35.432 17.365 1.00 31.17 H new ATOM 0 HH12 ARG A 120 4.724 36.359 16.242 1.00 31.17 H new ATOM 0 HH21 ARG A 120 7.583 38.007 16.259 1.00 36.58 H new ATOM 0 HH22 ARG A 120 6.263 37.915 15.574 1.00 36.58 H new ATOM 881 N TRP A 121 4.975 31.175 16.898 1.00 15.28 N ATOM 882 CA TRP A 121 4.666 30.976 15.485 1.00 18.77 C ATOM 883 C TRP A 121 3.170 30.822 15.227 1.00 16.76 C ATOM 884 O TRP A 121 2.691 31.135 14.138 1.00 20.38 O ATOM 885 CB TRP A 121 5.471 29.810 14.906 1.00 16.49 C ATOM 886 CG TRP A 121 6.909 30.167 14.726 1.00 15.80 C ATOM 887 CD1 TRP A 121 7.972 29.676 15.429 1.00 14.95 C ATOM 888 CD2 TRP A 121 7.447 31.117 13.797 1.00 14.46 C ATOM 889 NE1 TRP A 121 9.139 30.255 14.989 1.00 20.05 N ATOM 890 CE2 TRP A 121 8.845 31.144 13.987 1.00 16.75 C ATOM 891 CE3 TRP A 121 6.887 31.950 12.816 1.00 15.34 C ATOM 892 CZ2 TRP A 121 9.690 31.965 13.235 1.00 13.73 C ATOM 893 CZ3 TRP A 121 7.727 32.767 12.071 1.00 17.36 C ATOM 894 CH2 TRP A 121 9.114 32.767 12.285 1.00 17.46 C ATOM 0 H TRP A 121 5.273 30.476 17.300 1.00 15.28 H new ATOM 0 HA TRP A 121 4.936 31.782 15.018 1.00 18.77 H new ATOM 0 HB2 TRP A 121 5.399 29.043 15.495 1.00 16.49 H new ATOM 0 HB3 TRP A 121 5.093 29.548 14.052 1.00 16.49 H new ATOM 0 HD1 TRP A 121 7.915 29.042 16.107 1.00 14.95 H new ATOM 0 HE1 TRP A 121 9.926 30.087 15.293 1.00 20.05 H new ATOM 0 HE3 TRP A 121 5.969 31.955 12.667 1.00 15.34 H new ATOM 0 HZ2 TRP A 121 10.610 31.967 13.374 1.00 13.73 H new ATOM 0 HZ3 TRP A 121 7.365 33.323 11.420 1.00 17.36 H new ATOM 0 HH2 TRP A 121 9.654 33.323 11.771 1.00 17.46 H new ATOM 895 N ILE A 122 2.441 30.337 16.231 1.00 18.90 N ATOM 896 CA ILE A 122 0.980 30.298 16.176 1.00 17.81 C ATOM 897 C ILE A 122 0.450 31.733 16.122 1.00 19.59 C ATOM 898 O ILE A 122 -0.403 32.059 15.291 1.00 21.90 O ATOM 899 CB ILE A 122 0.404 29.488 17.372 1.00 18.75 C ATOM 900 CG1 ILE A 122 0.449 27.987 17.057 1.00 15.44 C ATOM 901 CG2 ILE A 122 -1.035 29.922 17.727 1.00 15.72 C ATOM 902 CD1 ILE A 122 0.480 27.089 18.283 1.00 16.46 C ATOM 0 H ILE A 122 2.776 30.023 16.958 1.00 18.90 H new ATOM 0 HA ILE A 122 0.687 29.837 15.374 1.00 17.81 H new ATOM 0 HB ILE A 122 0.958 29.672 18.147 1.00 18.75 H new ATOM 0 HG12 ILE A 122 -0.326 27.757 16.520 1.00 15.44 H new ATOM 0 HG13 ILE A 122 1.233 27.805 16.516 1.00 15.44 H new ATOM 0 HG21 ILE A 122 -1.357 29.395 18.475 1.00 15.72 H new ATOM 0 HG22 ILE A 122 -1.040 30.862 17.968 1.00 15.72 H new ATOM 0 HG23 ILE A 122 -1.614 29.782 16.961 1.00 15.72 H new ATOM 0 HD11 ILE A 122 0.508 26.161 18.004 1.00 16.46 H new ATOM 0 HD12 ILE A 122 1.268 27.291 18.812 1.00 16.46 H new ATOM 0 HD13 ILE A 122 -0.315 27.242 18.817 1.00 16.46 H new ATOM 903 N THR A 123 1.004 32.589 16.980 1.00 19.12 N ATOM 904 CA THR A 123 0.647 34.007 17.039 1.00 19.52 C ATOM 905 C THR A 123 0.984 34.736 15.732 1.00 20.28 C ATOM 906 O THR A 123 0.182 35.530 15.237 1.00 23.12 O ATOM 907 CB THR A 123 1.337 34.676 18.249 1.00 18.04 C ATOM 908 OG1 THR A 123 0.853 34.080 19.459 1.00 20.45 O ATOM 909 CG2 THR A 123 0.918 36.139 18.391 1.00 23.29 C ATOM 0 H THR A 123 1.605 32.360 17.551 1.00 19.12 H new ATOM 0 HA THR A 123 -0.314 34.071 17.154 1.00 19.52 H new ATOM 0 HB THR A 123 2.292 34.578 18.110 1.00 18.04 H new ATOM 0 HG1 THR A 123 1.341 33.428 19.665 1.00 20.45 H new ATOM 0 HG21 THR A 123 1.366 36.531 19.157 1.00 23.29 H new ATOM 0 HG22 THR A 123 1.164 36.626 17.589 1.00 23.29 H new ATOM 0 HG23 THR A 123 -0.042 36.190 18.518 1.00 23.29 H new ATOM 910 N PHE A 124 2.166 34.461 15.183 1.00 18.64 N ATOM 911 CA PHE A 124 2.566 34.989 13.881 1.00 18.74 C ATOM 912 C PHE A 124 1.521 34.644 12.821 1.00 20.29 C ATOM 913 O PHE A 124 1.071 35.525 12.091 1.00 19.65 O ATOM 914 CB PHE A 124 3.939 34.433 13.469 1.00 19.18 C ATOM 915 CG PHE A 124 4.292 34.670 12.018 1.00 18.96 C ATOM 916 CD1 PHE A 124 4.930 35.846 11.625 1.00 19.01 C ATOM 917 CD2 PHE A 124 3.997 33.713 11.048 1.00 17.35 C ATOM 918 CE1 PHE A 124 5.266 36.068 10.287 1.00 19.32 C ATOM 919 CE2 PHE A 124 4.320 33.926 9.707 1.00 17.99 C ATOM 920 CZ PHE A 124 4.958 35.105 9.324 1.00 18.21 C ATOM 0 H PHE A 124 2.759 33.962 15.556 1.00 18.64 H new ATOM 0 HA PHE A 124 2.632 35.954 13.953 1.00 18.74 H new ATOM 0 HB2 PHE A 124 4.621 34.837 14.028 1.00 19.18 H new ATOM 0 HB3 PHE A 124 3.957 33.479 13.644 1.00 19.18 H new ATOM 0 HD1 PHE A 124 5.135 36.492 12.262 1.00 19.01 H new ATOM 0 HD2 PHE A 124 3.579 32.921 11.298 1.00 17.35 H new ATOM 0 HE1 PHE A 124 5.694 36.855 10.038 1.00 19.32 H new ATOM 0 HE2 PHE A 124 4.110 33.282 9.070 1.00 17.99 H new ATOM 0 HZ PHE A 124 5.177 35.249 8.432 1.00 18.21 H new ATOM 921 N CYS A 125 1.148 33.365 12.746 1.00 17.91 N ATOM 922 CA CYS A 125 0.175 32.886 11.766 1.00 19.67 C ATOM 923 C CYS A 125 -1.142 33.643 11.893 1.00 20.96 C ATOM 924 O CYS A 125 -1.641 34.190 10.913 1.00 19.00 O ATOM 925 CB CYS A 125 -0.067 31.381 11.924 1.00 20.09 C ATOM 926 SG CYS A 125 1.257 30.333 11.282 1.00 18.73 S ATOM 0 H CYS A 125 1.454 32.750 13.264 1.00 17.91 H new ATOM 0 HA CYS A 125 0.542 33.049 10.883 1.00 19.67 H new ATOM 0 HB2 CYS A 125 -0.192 31.183 12.865 1.00 20.09 H new ATOM 0 HB3 CYS A 125 -0.894 31.149 11.473 1.00 20.09 H new ATOM 0 HG CYS A 125 2.165 30.309 12.066 1.00 18.73 H new ATOM 927 N GLN A 126 -1.681 33.686 13.111 1.00 23.40 N ATOM 928 CA GLN A 126 -2.956 34.347 13.386 1.00 24.00 C ATOM 929 C GLN A 126 -2.923 35.840 13.063 1.00 25.47 C ATOM 930 O GLN A 126 -3.906 36.390 12.563 1.00 20.35 O ATOM 931 CB GLN A 126 -3.385 34.105 14.835 1.00 27.33 C ATOM 932 CG GLN A 126 -3.617 32.633 15.144 1.00 30.53 C ATOM 933 CD GLN A 126 -4.176 32.387 16.526 1.00 34.45 C ATOM 934 OE1 GLN A 126 -5.285 31.871 16.664 1.00 32.87 O ATOM 935 NE2 GLN A 126 -3.409 32.741 17.554 1.00 34.95 N ATOM 0 H GLN A 126 -1.315 33.331 13.804 1.00 23.40 H new ATOM 0 HA GLN A 126 -3.617 33.952 12.796 1.00 24.00 H new ATOM 0 HB2 GLN A 126 -2.704 34.453 15.432 1.00 27.33 H new ATOM 0 HB3 GLN A 126 -4.199 34.601 15.014 1.00 27.33 H new ATOM 0 HG2 GLN A 126 -4.227 32.264 14.486 1.00 30.53 H new ATOM 0 HG3 GLN A 126 -2.778 32.155 15.053 1.00 30.53 H new ATOM 0 HE21 GLN A 126 -2.640 33.099 17.413 1.00 34.95 H new ATOM 0 HE22 GLN A 126 -3.682 32.612 18.359 1.00 34.95 H new ATOM 936 N SER A 127 -1.784 36.478 13.335 1.00 25.01 N ATOM 937 CA SER A 127 -1.579 37.887 12.997 1.00 28.31 C ATOM 938 C SER A 127 -1.635 38.151 11.492 1.00 26.30 C ATOM 939 O SER A 127 -2.223 39.146 11.064 1.00 27.15 O ATOM 940 CB SER A 127 -0.255 38.399 13.573 1.00 29.61 C ATOM 941 OG SER A 127 -0.386 38.685 14.954 1.00 35.78 O ATOM 0 H SER A 127 -1.110 36.107 13.720 1.00 25.01 H new ATOM 0 HA SER A 127 -2.314 38.375 13.400 1.00 28.31 H new ATOM 0 HB2 SER A 127 0.439 37.735 13.440 1.00 29.61 H new ATOM 0 HB3 SER A 127 0.022 39.198 13.098 1.00 29.61 H new ATOM 0 HG SER A 127 -0.911 38.132 15.306 1.00 35.78 H new ATOM 942 N ILE A 128 -1.031 37.264 10.699 1.00 24.78 N ATOM 943 CA ILE A 128 -1.005 37.427 9.239 1.00 27.20 C ATOM 944 C ILE A 128 -2.353 37.099 8.592 1.00 24.70 C ATOM 945 O ILE A 128 -2.795 37.812 7.692 1.00 25.93 O ATOM 946 CB ILE A 128 0.150 36.615 8.567 1.00 27.03 C ATOM 947 CG1 ILE A 128 1.466 36.723 9.352 1.00 30.21 C ATOM 948 CG2 ILE A 128 0.361 37.070 7.119 1.00 28.21 C ATOM 949 CD1 ILE A 128 1.945 38.149 9.651 1.00 34.35 C ATOM 0 H ILE A 128 -0.629 36.559 10.985 1.00 24.78 H new ATOM 0 HA ILE A 128 -0.827 38.368 9.082 1.00 27.20 H new ATOM 0 HB ILE A 128 -0.119 35.683 8.571 1.00 27.03 H new ATOM 0 HG12 ILE A 128 1.362 36.251 10.193 1.00 30.21 H new ATOM 0 HG13 ILE A 128 2.160 36.264 8.853 1.00 30.21 H new ATOM 0 HG21 ILE A 128 1.080 36.556 6.720 1.00 28.21 H new ATOM 0 HG22 ILE A 128 -0.455 36.931 6.614 1.00 28.21 H new ATOM 0 HG23 ILE A 128 0.592 38.012 7.106 1.00 28.21 H new ATOM 0 HD11 ILE A 128 2.778 38.113 10.147 1.00 34.35 H new ATOM 0 HD12 ILE A 128 2.085 38.625 8.817 1.00 34.35 H new ATOM 0 HD13 ILE A 128 1.275 38.612 10.178 1.00 34.35 H new ATOM 950 N ILE A 129 -2.993 36.019 9.047 1.00 25.12 N ATOM 951 CA ILE A 129 -4.335 35.645 8.583 1.00 24.27 C ATOM 952 C ILE A 129 -5.296 36.826 8.739 1.00 26.21 C ATOM 953 O ILE A 129 -6.136 37.074 7.868 1.00 26.24 O ATOM 954 CB ILE A 129 -4.866 34.394 9.349 1.00 24.24 C ATOM 955 CG1 ILE A 129 -4.042 33.150 9.005 1.00 17.47 C ATOM 956 CG2 ILE A 129 -6.344 34.129 9.035 1.00 24.31 C ATOM 957 CD1 ILE A 129 -4.069 32.072 10.077 1.00 16.51 C ATOM 0 H ILE A 129 -2.663 35.483 9.633 1.00 25.12 H new ATOM 0 HA ILE A 129 -4.279 35.413 7.643 1.00 24.27 H new ATOM 0 HB ILE A 129 -4.779 34.583 10.296 1.00 24.24 H new ATOM 0 HG12 ILE A 129 -4.372 32.775 8.174 1.00 17.47 H new ATOM 0 HG13 ILE A 129 -3.122 33.416 8.850 1.00 17.47 H new ATOM 0 HG21 ILE A 129 -6.644 33.347 9.525 1.00 24.31 H new ATOM 0 HG22 ILE A 129 -6.874 34.898 9.298 1.00 24.31 H new ATOM 0 HG23 ILE A 129 -6.450 33.974 8.083 1.00 24.31 H new ATOM 0 HD11 ILE A 129 -3.529 31.319 9.792 1.00 16.51 H new ATOM 0 HD12 ILE A 129 -3.713 32.430 10.905 1.00 16.51 H new ATOM 0 HD13 ILE A 129 -4.983 31.779 10.218 1.00 16.51 H new ATOM 958 N SER A 130 -5.132 37.565 9.838 1.00 25.50 N ATOM 959 CA SER A 130 -5.988 38.703 10.176 1.00 28.58 C ATOM 960 C SER A 130 -5.851 39.891 9.227 1.00 27.38 C ATOM 961 O SER A 130 -6.757 40.720 9.141 1.00 27.14 O ATOM 962 CB SER A 130 -5.724 39.158 11.612 1.00 30.13 C ATOM 963 OG SER A 130 -6.468 38.377 12.527 1.00 34.41 O ATOM 0 H SER A 130 -4.512 37.417 10.415 1.00 25.50 H new ATOM 0 HA SER A 130 -6.899 38.383 10.083 1.00 28.58 H new ATOM 0 HB2 SER A 130 -4.778 39.084 11.811 1.00 30.13 H new ATOM 0 HB3 SER A 130 -5.962 40.093 11.709 1.00 30.13 H new ATOM 0 HG SER A 130 -6.311 38.638 13.310 1.00 34.41 H new ATOM 964 N THR A 131 -4.722 39.977 8.526 1.00 26.51 N ATOM 965 CA THR A 131 -4.517 41.030 7.531 1.00 29.09 C ATOM 966 C THR A 131 -5.023 40.618 6.148 1.00 26.76 C ATOM 967 O THR A 131 -4.947 41.399 5.199 1.00 29.45 O ATOM 968 CB THR A 131 -3.027 41.445 7.444 1.00 27.68 C ATOM 969 OG1 THR A 131 -2.248 40.339 6.975 1.00 25.55 O ATOM 970 CG2 THR A 131 -2.449 41.743 8.827 1.00 29.26 C ATOM 0 H THR A 131 -4.060 39.434 8.611 1.00 26.51 H new ATOM 0 HA THR A 131 -5.037 41.793 7.828 1.00 29.09 H new ATOM 0 HB THR A 131 -2.991 42.221 6.863 1.00 27.68 H new ATOM 0 HG1 THR A 131 -2.623 39.620 7.192 1.00 25.55 H new ATOM 0 HG21 THR A 131 -1.518 41.999 8.740 1.00 29.26 H new ATOM 0 HG22 THR A 131 -2.947 42.468 9.237 1.00 29.26 H new ATOM 0 HG23 THR A 131 -2.516 40.951 9.383 1.00 29.26 H new ATOM 971 N LEU A 132 -5.542 39.397 6.040 1.00 29.07 N ATOM 972 CA LEU A 132 -5.994 38.858 4.755 1.00 32.84 C ATOM 973 C LEU A 132 -7.505 38.635 4.674 1.00 33.20 C ATOM 974 O LEU A 132 -8.035 38.398 3.590 1.00 36.68 O ATOM 975 CB LEU A 132 -5.234 37.569 4.407 1.00 28.90 C ATOM 976 CG LEU A 132 -3.699 37.608 4.430 1.00 29.78 C ATOM 977 CD1 LEU A 132 -3.114 36.242 4.105 1.00 26.85 C ATOM 978 CD2 LEU A 132 -3.135 38.668 3.484 1.00 31.99 C ATOM 0 H LEU A 132 -5.642 38.859 6.704 1.00 29.07 H new ATOM 0 HA LEU A 132 -5.790 39.539 4.095 1.00 32.84 H new ATOM 0 HB2 LEU A 132 -5.523 36.878 5.024 1.00 28.90 H new ATOM 0 HB3 LEU A 132 -5.511 37.291 3.520 1.00 28.90 H new ATOM 0 HG LEU A 132 -3.437 37.853 5.331 1.00 29.78 H new ATOM 0 HD11 LEU A 132 -2.145 36.291 4.125 1.00 26.85 H new ATOM 0 HD12 LEU A 132 -3.418 35.595 4.761 1.00 26.85 H new ATOM 0 HD13 LEU A 132 -3.405 35.967 3.221 1.00 26.85 H new ATOM 0 HD21 LEU A 132 -2.166 38.659 3.529 1.00 31.99 H new ATOM 0 HD22 LEU A 132 -3.418 38.475 2.576 1.00 31.99 H new ATOM 0 HD23 LEU A 132 -3.463 39.543 3.746 1.00 31.99 H new ATOM 979 N THR A 133 -8.187 38.721 5.817 1.00 38.22 N ATOM 980 CA THR A 133 -9.634 38.493 5.906 1.00 39.39 C ATOM 981 C THR A 133 -10.447 39.414 4.990 1.00 41.10 C ATOM 982 O THR A 133 -10.205 40.620 4.921 1.00 40.75 O ATOM 983 CB THR A 133 -10.118 38.638 7.368 1.00 41.38 C ATOM 984 OG1 THR A 133 -9.282 37.865 8.239 1.00 44.28 O ATOM 985 CG2 THR A 133 -11.486 37.994 7.549 1.00 43.57 C ATOM 0 H THR A 133 -7.821 38.915 6.570 1.00 38.22 H new ATOM 0 HA THR A 133 -9.786 37.585 5.600 1.00 39.39 H new ATOM 0 HB THR A 133 -10.116 39.588 7.565 1.00 41.38 H new ATOM 0 HG1 THR A 133 -9.549 37.949 9.031 1.00 44.28 H new ATOM 0 HG21 THR A 133 -11.772 38.095 8.470 1.00 43.57 H new ATOM 0 HG22 THR A 133 -12.127 38.425 6.963 1.00 43.57 H new ATOM 0 HG23 THR A 133 -11.431 37.051 7.329 1.00 43.57 H new TER 986 THR A 133 HETATM 987 S SO4 A 134 12.900 43.385 8.086 1.00 63.03 S HETATM 988 O1 SO4 A 134 12.278 42.917 6.851 1.00 61.71 O HETATM 989 O2 SO4 A 134 11.891 44.038 8.914 1.00 61.15 O HETATM 990 O3 SO4 A 134 13.462 42.247 8.809 1.00 61.09 O HETATM 991 O4 SO4 A 134 13.960 44.338 7.761 1.00 62.62 O HETATM 992 S1 MHC A 201 5.161 13.070 25.038 1.00 37.07 S HETATM 993 C2 MHC A 201 3.646 12.143 24.689 1.00 37.81 C HETATM 994 C3 MHC A 201 3.027 12.669 23.398 1.00 39.42 C HETATM 995 C4 MHC A 201 3.871 12.242 22.213 1.00 42.09 C HETATM 996 O5 MHC A 201 3.952 11.052 21.936 1.00 40.68 O HETATM 997 N6 MHC A 201 4.505 13.193 21.510 1.00 41.92 N HETATM 998 C7 MHC A 201 5.781 12.917 20.834 1.00 40.52 C HETATM 999 C8 MHC A 201 5.498 12.745 19.335 1.00 40.90 C HETATM 1000 C9 MHC A 201 4.543 13.835 18.908 1.00 41.73 C HETATM 1001 C10 MHC A 201 3.802 14.723 19.850 1.00 42.28 C HETATM 1002 C11 MHC A 201 3.982 14.555 21.336 1.00 42.54 C HETATM 1003 N12 MHC A 201 3.011 15.611 19.168 1.00 44.52 N HETATM 1004 C14 MHC A 201 4.126 14.275 17.675 1.00 39.51 C HETATM 1005 C13 MHC A 201 3.171 15.384 17.838 1.00 41.70 C HETATM 1006 C15 MHC A 201 2.648 15.942 16.611 1.00 39.45 C HETATM 1007 C18 MHC A 201 4.520 13.774 16.384 1.00 39.62 C HETATM 1008 C17 MHC A 201 3.964 14.377 15.255 1.00 38.02 C HETATM 1009 C16 MHC A 201 3.052 15.432 15.372 1.00 38.70 C HETATM 0 H112 MHC A 201 3.141 14.670 21.806 1.00 42.54 H new HETATM 0 H111 MHC A 201 4.598 15.215 21.691 1.00 42.54 H new HETATM 0 H82 MHC A 201 6.322 12.799 18.827 1.00 40.90 H new HETATM 0 H81 MHC A 201 5.114 11.871 19.161 1.00 40.90 H new HETATM 0 H72 MHC A 201 6.406 13.644 20.980 1.00 40.52 H new HETATM 0 H71 MHC A 201 6.190 12.115 21.196 1.00 40.52 H new HETATM 0 H32 MHC A 201 2.123 12.330 23.301 1.00 39.42 H new HETATM 0 H31 MHC A 201 2.965 13.636 23.430 1.00 39.42 H new HETATM 0 H22 MHC A 201 3.844 11.197 24.604 1.00 37.81 H new HETATM 0 H21 MHC A 201 3.019 12.237 25.423 1.00 37.81 H new HETATM 0 H18 MHC A 201 5.151 13.042 16.302 1.00 39.62 H new HETATM 0 H17 MHC A 201 4.214 14.059 14.373 1.00 38.02 H new HETATM 0 H16 MHC A 201 2.686 15.825 14.564 1.00 38.70 H new HETATM 0 H15 MHC A 201 2.013 16.674 16.647 1.00 39.45 H new HETATM 0 H12 MHC A 201 2.502 16.208 19.521 1.00 44.52 H new HETATM 1010 O HOH A 202 11.945 22.871 24.730 1.00 17.16 O HETATM 1011 O HOH A 203 12.305 30.514 14.891 1.00 15.94 O HETATM 1012 O HOH A 204 1.059 24.813 27.245 1.00 31.37 O HETATM 1013 O HOH A 205 16.405 32.943 20.003 1.00 16.71 O HETATM 1014 O HOH A 206 10.528 29.989 26.768 1.00 27.98 O HETATM 1015 O HOH A 207 -6.264 23.572 16.557 1.00 22.32 O HETATM 1016 O HOH A 208 6.072 10.029 17.510 1.00 17.74 O HETATM 1017 O HOH A 209 9.487 9.219 2.386 1.00 30.53 O HETATM 1018 O HOH A 210 -4.758 21.690 15.378 1.00 19.29 O HETATM 1019 O HOH A 211 -6.436 34.713 13.236 1.00 26.17 O HETATM 1020 O HOH A 212 13.198 33.916 -2.813 1.00 35.85 O HETATM 1021 O HOH A 213 7.441 38.741 2.897 1.00 21.02 O HETATM 1022 O HOH A 214 9.559 10.797 12.360 1.00 31.37 O HETATM 1023 O HOH A 215 -2.667 32.203 20.146 1.00 28.58 O HETATM 1024 O HOH A 216 -4.770 19.944 17.554 1.00 31.32 O HETATM 1025 O HOH A 217 4.101 39.196 4.212 1.00 30.50 O HETATM 1026 O HOH A 218 13.092 21.409 32.945 1.00 34.31 O HETATM 1027 O HOH A 219 -0.145 31.556 20.851 1.00 36.49 O HETATM 1028 O HOH A 220 12.988 29.611 -3.695 1.00 30.19 O HETATM 1029 O HOH A 221 7.870 27.327 28.420 1.00 30.82 O HETATM 1030 O HOH A 222 4.783 6.327 21.102 1.00 39.65 O HETATM 1031 O HOH A 223 16.783 24.775 18.399 1.00 30.13 O HETATM 1032 O HOH A 224 14.638 25.750 26.570 1.00 37.83 O HETATM 1033 O HOH A 225 15.495 27.010 2.249 1.00 39.01 O HETATM 1034 O HOH A 226 -1.864 37.342 16.809 1.00 38.11 O HETATM 1035 O HOH A 227 2.664 28.341 -3.591 1.00 30.13 O HETATM 1036 O HOH A 228 11.832 8.058 21.307 1.00 42.63 O HETATM 1037 O HOH A 229 -0.383 1.856 22.816 1.00 36.90 O HETATM 1038 O HOH A 230 12.082 14.674 34.266 1.00 33.20 O HETATM 1039 O HOH A 231 12.856 12.769 27.262 1.00 41.97 O HETATM 1040 O HOH A 232 -4.103 27.310 -0.427 1.00 40.17 O HETATM 1041 O HOH A 233 -0.376 12.963 23.690 1.00 45.68 O HETATM 1042 O HOH A 234 -9.937 33.212 8.255 1.00 33.62 O HETATM 1043 O HOH A 235 15.659 23.073 9.765 1.00 40.00 O HETATM 1044 O HOH A 236 18.131 24.396 28.666 1.00 33.75 O HETATM 1045 O HOH A 237 13.743 25.104 30.254 1.00 38.93 O HETATM 1046 O HOH A 238 -2.398 21.153 28.767 1.00 46.85 O HETATM 1047 O HOH A 239 16.212 38.521 23.332 1.00 42.94 O HETATM 1048 O HOH A 240 15.030 28.389 26.705 1.00 44.78 O HETATM 1049 O HOH A 241 18.926 25.068 15.202 1.00 44.21 O HETATM 1050 O HOH A 242 14.140 21.096 6.851 1.00 39.84 O HETATM 1051 O HOH A 243 14.473 16.574 8.448 1.00 45.14 O HETATM 1052 O HOH A 244 6.924 7.661 9.224 1.00 45.40 O HETATM 1053 O HOH A 245 1.651 0.591 19.005 1.00 44.72 O HETATM 1054 O HOH A 246 2.000 7.304 12.888 1.00 44.75 O HETATM 1055 O HOH A 247 20.489 33.676 18.880 1.00 41.20 O HETATM 1056 O HOH A 248 -2.007 19.691 5.732 1.00 39.87 O HETATM 1057 O HOH A 249 1.459 10.676 10.247 1.00 47.52 O HETATM 1058 O HOH A 250 -3.807 24.964 0.819 1.00 35.13 O CONECT 206 992 CONECT 435 756 CONECT 756 435 CONECT 987 988 989 990 991 CONECT 988 987 CONECT 989 987 CONECT 990 987 CONECT 991 987 CONECT 992 206 993 CONECT 993 992 994 CONECT 994 993 995 CONECT 995 994 996 997 CONECT 996 995 CONECT 997 995 998 1002 CONECT 998 997 999 CONECT 999 998 1000 CONECT 1000 999 1001 1004 CONECT 1001 1000 1002 1003 CONECT 1002 997 1001 CONECT 1003 1001 1005 CONECT 1004 1000 1005 1007 CONECT 1005 1003 1004 1006 CONECT 1006 1005 1009 CONECT 1007 1004 1008 CONECT 1008 1007 1009 CONECT 1009 1006 1008 END