USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 18-MAY-07 2PZW TITLE CRYSTAL STRUCTURE OF STAPHYLOCOCCAL NUCLEASE VARIANT TITLE 2 V66N/P117G/H124L/S128A AT ROOM TEMPERATURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: THERMONUCLEASE; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: TNASE, MICROCOCCAL NUCLEASE, STAPHYLOCOCCAL COMPND 5 NUCLEASE; COMPND 6 EC: 3.1.31.1; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; SOURCE 3 GENE: NUC; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_STRAIN: AR120; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: LAMBDA KEYWDS STAPHYLOCOCCAL NUCLEASE, NUCLEASE, HYPERSTABLE VARIANT, KEYWDS 2 INTERNAL WATERS, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR J.L.SCHLESSMAN,C.ABE,E.B.GARCIA-MORENO REVDAT 2 24-FEB-09 2PZW 1 VERSN REVDAT 1 20-MAY-08 2PZW 0 JRNL AUTH J.L.SCHLESSMAN,C.ABE,A.GITTIS,D.A.KARP,M.A.DOLAN, JRNL AUTH 2 E.B.GARCIA-MORENO JRNL TITL CRYSTALLOGRAPHIC STUDY OF HYDRATION OF AN INTERNAL JRNL TITL 2 CAVITY IN ENGINEERED PROTEINS WITH BURIED POLAR OR JRNL TITL 3 IONIZABLE GROUPS. JRNL REF BIOPHYS.J. V. 94 3208 2008 JRNL REFN ISSN 0006-3495 JRNL PMID 18178652 JRNL DOI 10.1529/BIOPHYSJ.107.122473 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.10 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.1 REMARK 3 NUMBER OF REFLECTIONS : 8708 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.189 REMARK 3 FREE R VALUE : 0.227 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.600 REMARK 3 FREE R VALUE TEST SET COUNT : 928 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.10 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.20 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2270 REMARK 3 BIN FREE R VALUE : 0.2860 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : 57 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1038 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 40 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 30.18 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -3.08500 REMARK 3 B22 (A**2) : -3.08500 REMARK 3 B33 (A**2) : 6.17000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : ISOTROPIC REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.415 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.200 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.549 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.921 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 43.23 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2PZW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-JUN-07. REMARK 100 THE RCSB ID CODE IS RCSB042973. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-DEC-05 REMARK 200 TEMPERATURE (KELVIN) : 298 REMARK 200 PH : 7.8 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : SEALED TUBE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : OTHER REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GE111 REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : APEX II CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : APEX REMARK 200 DATA SCALING SOFTWARE : APEX REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8893 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 8.500 REMARK 200 R MERGE (I) : 0.02460 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 32.7600 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.20 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 4.85 REMARK 200 R MERGE FOR SHELL (I) : 0.16970 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 5.560 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: STAPHYLOCOCCAL NUCLEASE V66E/P117G/H124L/S128A REMARK 200 VARIANT (AT 100K), WITH B-FACTORS SET TO 20.0 A^2 AND RESIDUE REMARK 200 66 TRUNCATED TO ALA, WATERS REMOVED REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.54 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.26 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 39% MPD, 0.025 M POTASSIUM REMARK 280 PHOSPHATE, PH 7.8, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE REMARK 280 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y,X,Z+1/4 REMARK 290 4555 Y,-X,Z+3/4 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 31.57650 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 15.78825 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 47.36475 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 THR A 2 REMARK 465 SER A 3 REMARK 465 THR A 4 REMARK 465 LYS A 5 REMARK 465 LYS A 6 REMARK 465 HIS A 46 REMARK 465 PRO A 47 REMARK 465 LYS A 48 REMARK 465 LYS A 49 REMARK 465 GLY A 50 REMARK 465 GLU A 142 REMARK 465 ASP A 143 REMARK 465 ASN A 144 REMARK 465 ALA A 145 REMARK 465 ASP A 146 REMARK 465 SER A 147 REMARK 465 GLY A 148 REMARK 465 GLN A 149 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LEU A 38 18.04 55.63 REMARK 500 TYR A 54 -0.78 78.83 REMARK 500 ASN A 138 -104.07 37.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1U9R RELATED DB: PDB REMARK 900 RELATED ID: 2PW5 RELATED DB: PDB REMARK 900 RELATED ID: 2PW7 RELATED DB: PDB REMARK 900 RELATED ID: 2PYK RELATED DB: PDB REMARK 900 RELATED ID: 2PZT RELATED DB: PDB REMARK 900 RELATED ID: 2PZU RELATED DB: PDB DBREF 2PZW A 1 149 UNP Q8NXI6 NUC_STAAW 80 228 SEQADV 2PZW ASN A 66 UNP Q8NXI6 VAL 145 ENGINEERED SEQADV 2PZW GLY A 117 UNP Q8NXI6 PRO 196 ENGINEERED SEQADV 2PZW ALA A 128 UNP Q8NXI6 SER 207 ENGINEERED SEQRES 1 A 149 ALA THR SER THR LYS LYS LEU HIS LYS GLU PRO ALA THR SEQRES 2 A 149 LEU ILE LYS ALA ILE ASP GLY ASP THR VAL LYS LEU MET SEQRES 3 A 149 TYR LYS GLY GLN PRO MET THR PHE ARG LEU LEU LEU VAL SEQRES 4 A 149 ASP THR PRO GLU THR LYS HIS PRO LYS LYS GLY VAL GLU SEQRES 5 A 149 LYS TYR GLY PRO GLU ALA SER ALA PHE THR LYS LYS MET SEQRES 6 A 149 ASN GLU ASN ALA LYS LYS ILE GLU VAL GLU PHE ASP LYS SEQRES 7 A 149 GLY GLN ARG THR ASP LYS TYR GLY ARG GLY LEU ALA TYR SEQRES 8 A 149 ILE TYR ALA ASP GLY LYS MET VAL ASN GLU ALA LEU VAL SEQRES 9 A 149 ARG GLN GLY LEU ALA LYS VAL ALA TYR VAL TYR LYS GLY SEQRES 10 A 149 ASN ASN THR HIS GLU GLN LEU LEU ARG LYS ALA GLU ALA SEQRES 11 A 149 GLN ALA LYS LYS GLU LYS LEU ASN ILE TRP SER GLU ASP SEQRES 12 A 149 ASN ALA ASP SER GLY GLN FORMUL 2 HOH *40(H2 O) HELIX 1 1 TYR A 54 ASN A 68 1 15 HELIX 2 2 VAL A 99 GLN A 106 1 8 HELIX 3 3 HIS A 121 GLU A 135 1 15 HELIX 4 4 LEU A 137 SER A 141 5 5 SHEET 1 A 7 LYS A 97 MET A 98 0 SHEET 2 A 7 GLY A 88 ALA A 94 -1 N ALA A 94 O LYS A 97 SHEET 3 A 7 ILE A 72 PHE A 76 -1 N GLU A 73 O TYR A 93 SHEET 4 A 7 LYS A 9 ALA A 17 -1 N GLU A 10 O VAL A 74 SHEET 5 A 7 THR A 22 TYR A 27 -1 O LYS A 24 N LYS A 16 SHEET 6 A 7 GLN A 30 LEU A 36 -1 O PHE A 34 N VAL A 23 SHEET 7 A 7 GLY A 88 ALA A 94 1 O GLY A 88 N ARG A 35 SHEET 1 B 2 VAL A 39 ASP A 40 0 SHEET 2 B 2 LYS A 110 VAL A 111 -1 O LYS A 110 N ASP A 40 CRYST1 48.999 48.999 63.153 90.00 90.00 90.00 P 41 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 0.020409 0.000000 0.000000 0.00000 SCALE2 0.000000 0.020409 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015835 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 93 TYR OH : rot -177:sc= 1.29 USER MOD Set 1.2: A 98 MET CE :methyl 162:sc= -0.439 (180deg=-0.0188) USER MOD Set 1.3: A 121 HIS :FLIP no HE2:sc= -0.375 F(o=-0.26,f=0.47) USER MOD Set 2.1: A 78 LYS NZ :NH3+ 163:sc= 0.111 (180deg=-0.426) USER MOD Set 2.2: A 119 ASN : amide:sc= -0.579 K(o=-0.47,f=-3.4!) USER MOD Set 3.1: A 53 LYS NZ :NH3+ -162:sc= 1.5 (180deg=1.45) USER MOD Set 3.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 141 SER OG : rot 88:sc= 1.25 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0542) USER MOD Single : A 22 THR OG1 : rot 68:sc= 1.07 USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.111) USER MOD Single : A 26 MET CE :methyl -125:sc= -0.172 (180deg=-0.411) USER MOD Single : A 27 TYR OH : rot -54:sc= 1.35 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 32 MET CE :methyl -169:sc= -0.252 (180deg=-0.523) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -91:sc= 0.456 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -50:sc= 0.783 USER MOD Single : A 62 THR OG1 : rot -174:sc= 1.34 USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0.574 (180deg=0.553) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.264 K(o=0.26,f=-2.1!) USER MOD Single : A 68 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.41) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN :FLIP amide:sc= 1.15 F(o=-1.1!,f=1.2) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0274 USER MOD Single : A 91 TYR OH : rot 166:sc= 1.36 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 1.28 K(o=1.3,f=-7.7!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.0877 F(o=-1.7!,f=-0.088) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 30:sc= 1.09 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -1.28! C(o=-1.3!,f=-8.6!) USER MOD Single : A 120 THR OG1 : rot 82:sc= 1.3 USER MOD Single : A 123 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.37) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.29) USER MOD Single : A 133 LYS NZ :NH3+ -160:sc= -2.5! (180deg=-3.18!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= 0.816 K(o=0.82,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 0.185 -38.181 21.604 1.00 40.49 N ATOM 2 CA LEU A 7 -1.122 -37.465 21.450 1.00 39.91 C ATOM 3 C LEU A 7 -2.058 -38.306 20.591 1.00 40.39 C ATOM 4 O LEU A 7 -1.603 -39.133 19.798 1.00 40.99 O ATOM 5 CB LEU A 7 -0.913 -36.109 20.769 1.00 36.62 C ATOM 6 CG LEU A 7 0.128 -35.138 21.331 1.00 35.75 C ATOM 7 CD1 LEU A 7 0.002 -33.804 20.604 1.00 31.86 C ATOM 8 CD2 LEU A 7 -0.063 -34.960 22.831 1.00 33.24 C ATOM 0 HA LEU A 7 -1.505 -37.324 22.330 1.00 39.91 H new ATOM 0 HB2 LEU A 7 -0.680 -36.281 19.843 1.00 36.62 H new ATOM 0 HB3 LEU A 7 -1.768 -35.650 20.766 1.00 36.62 H new ATOM 0 HG LEU A 7 1.018 -35.496 21.190 1.00 35.75 H new ATOM 0 HD11 LEU A 7 0.658 -33.181 20.954 1.00 31.86 H new ATOM 0 HD12 LEU A 7 0.156 -33.936 19.655 1.00 31.86 H new ATOM 0 HD13 LEU A 7 -0.889 -33.444 20.740 1.00 31.86 H new ATOM 0 HD21 LEU A 7 0.603 -34.343 23.171 1.00 33.24 H new ATOM 0 HD22 LEU A 7 -0.949 -34.606 23.005 1.00 33.24 H new ATOM 0 HD23 LEU A 7 0.035 -35.817 23.274 1.00 33.24 H new ATOM 9 N HIS A 8 -3.362 -38.118 20.751 1.00 40.32 N ATOM 10 CA HIS A 8 -4.293 -38.877 19.931 1.00 40.38 C ATOM 11 C HIS A 8 -5.408 -37.989 19.399 1.00 36.51 C ATOM 12 O HIS A 8 -5.815 -37.027 20.041 1.00 34.65 O ATOM 13 CB HIS A 8 -4.837 -40.096 20.702 1.00 44.05 C ATOM 14 CG HIS A 8 -6.111 -39.847 21.444 1.00 48.02 C ATOM 15 ND1 HIS A 8 -6.213 -38.937 22.473 1.00 50.43 N ATOM 16 CD2 HIS A 8 -7.337 -40.412 21.318 1.00 50.42 C ATOM 17 CE1 HIS A 8 -7.446 -38.952 22.951 1.00 51.63 C ATOM 18 NE2 HIS A 8 -8.148 -39.838 22.267 1.00 51.42 N ATOM 0 H HIS A 8 -3.720 -37.573 21.311 1.00 40.32 H new ATOM 0 HA HIS A 8 -3.812 -39.217 19.160 1.00 40.38 H new ATOM 0 HB2 HIS A 8 -4.978 -40.823 20.076 1.00 44.05 H new ATOM 0 HB3 HIS A 8 -4.162 -40.392 21.333 1.00 44.05 H new ATOM 0 HD2 HIS A 8 -7.583 -41.066 20.704 1.00 50.42 H new ATOM 0 HE1 HIS A 8 -7.765 -38.428 23.650 1.00 51.63 H new ATOM 0 HE2 HIS A 8 -8.978 -40.025 22.395 1.00 51.42 H new ATOM 19 N LYS A 9 -5.860 -38.304 18.192 1.00 34.42 N ATOM 20 CA LYS A 9 -6.905 -37.545 17.523 1.00 34.01 C ATOM 21 C LYS A 9 -8.306 -38.021 17.871 1.00 33.72 C ATOM 22 O LYS A 9 -8.549 -39.217 18.018 1.00 34.42 O ATOM 23 CB LYS A 9 -6.699 -37.621 16.011 1.00 33.54 C ATOM 24 CG LYS A 9 -5.334 -37.121 15.553 1.00 32.44 C ATOM 25 CD LYS A 9 -5.085 -37.399 14.080 1.00 31.21 C ATOM 26 CE LYS A 9 -3.669 -37.024 13.685 1.00 31.95 C ATOM 27 NZ LYS A 9 -3.475 -37.028 12.203 1.00 37.94 N ATOM 0 H LYS A 9 -5.566 -38.970 17.735 1.00 34.42 H new ATOM 0 HA LYS A 9 -6.834 -36.629 17.834 1.00 34.01 H new ATOM 0 HB2 LYS A 9 -6.811 -38.540 15.723 1.00 33.54 H new ATOM 0 HB3 LYS A 9 -7.389 -37.100 15.572 1.00 33.54 H new ATOM 0 HG2 LYS A 9 -5.270 -36.167 15.716 1.00 32.44 H new ATOM 0 HG3 LYS A 9 -4.641 -37.546 16.082 1.00 32.44 H new ATOM 0 HD2 LYS A 9 -5.237 -38.339 13.895 1.00 31.21 H new ATOM 0 HD3 LYS A 9 -5.718 -36.898 13.542 1.00 31.21 H new ATOM 0 HE2 LYS A 9 -3.460 -36.143 14.034 1.00 31.95 H new ATOM 0 HE3 LYS A 9 -3.046 -37.646 14.093 1.00 31.95 H new ATOM 0 HZ1 LYS A 9 -2.635 -36.804 12.013 1.00 37.94 H new ATOM 0 HZ2 LYS A 9 -3.644 -37.841 11.883 1.00 37.94 H new ATOM 0 HZ3 LYS A 9 -4.030 -36.441 11.829 1.00 37.94 H new ATOM 28 N GLU A 10 -9.225 -37.071 18.007 1.00 31.54 N ATOM 29 CA GLU A 10 -10.612 -37.368 18.328 1.00 30.97 C ATOM 30 C GLU A 10 -11.526 -36.711 17.297 1.00 29.88 C ATOM 31 O GLU A 10 -11.249 -35.615 16.813 1.00 28.29 O ATOM 32 CB GLU A 10 -10.966 -36.846 19.718 1.00 32.36 C ATOM 33 CG GLU A 10 -10.278 -37.578 20.849 1.00 36.76 C ATOM 34 CD GLU A 10 -10.257 -36.763 22.129 1.00 38.57 C ATOM 35 OE1 GLU A 10 -9.297 -35.985 22.332 1.00 40.60 O ATOM 36 OE2 GLU A 10 -11.204 -36.891 22.925 1.00 38.30 O ATOM 0 H GLU A 10 -9.059 -36.232 17.915 1.00 31.54 H new ATOM 0 HA GLU A 10 -10.733 -38.330 18.314 1.00 30.97 H new ATOM 0 HB2 GLU A 10 -10.735 -35.905 19.768 1.00 32.36 H new ATOM 0 HB3 GLU A 10 -11.926 -36.910 19.842 1.00 32.36 H new ATOM 0 HG2 GLU A 10 -10.732 -38.420 21.011 1.00 36.76 H new ATOM 0 HG3 GLU A 10 -9.368 -37.791 20.588 1.00 36.76 H new ATOM 37 N PRO A 11 -12.636 -37.381 16.949 1.00 29.20 N ATOM 38 CA PRO A 11 -13.556 -36.813 15.968 1.00 27.68 C ATOM 39 C PRO A 11 -14.286 -35.614 16.537 1.00 26.37 C ATOM 40 O PRO A 11 -14.487 -35.509 17.738 1.00 26.24 O ATOM 41 CB PRO A 11 -14.494 -37.974 15.666 1.00 28.90 C ATOM 42 CG PRO A 11 -14.561 -38.688 16.984 1.00 30.54 C ATOM 43 CD PRO A 11 -13.109 -38.700 17.417 1.00 28.38 C ATOM 0 HA PRO A 11 -13.117 -36.475 15.171 1.00 27.68 H new ATOM 0 HB2 PRO A 11 -15.367 -37.667 15.377 1.00 28.90 H new ATOM 0 HB3 PRO A 11 -14.147 -38.545 14.963 1.00 28.90 H new ATOM 0 HG2 PRO A 11 -15.125 -38.221 17.620 1.00 30.54 H new ATOM 0 HG3 PRO A 11 -14.919 -39.585 16.892 1.00 30.54 H new ATOM 0 HD2 PRO A 11 -13.018 -38.798 18.378 1.00 28.38 H new ATOM 0 HD3 PRO A 11 -12.615 -39.428 17.009 1.00 28.38 H new ATOM 44 N ALA A 12 -14.645 -34.695 15.656 1.00 25.46 N ATOM 45 CA ALA A 12 -15.369 -33.491 16.031 1.00 24.42 C ATOM 46 C ALA A 12 -16.212 -33.133 14.819 1.00 23.87 C ATOM 47 O ALA A 12 -15.985 -33.647 13.723 1.00 22.46 O ATOM 48 CB ALA A 12 -14.395 -32.355 16.352 1.00 23.14 C ATOM 0 H ALA A 12 -14.474 -34.752 14.815 1.00 25.46 H new ATOM 0 HA ALA A 12 -15.911 -33.631 16.823 1.00 24.42 H new ATOM 0 HB1 ALA A 12 -14.894 -31.561 16.600 1.00 23.14 H new ATOM 0 HB2 ALA A 12 -13.821 -32.619 17.088 1.00 23.14 H new ATOM 0 HB3 ALA A 12 -13.851 -32.164 15.572 1.00 23.14 H new ATOM 49 N THR A 13 -17.186 -32.259 15.021 1.00 23.40 N ATOM 50 CA THR A 13 -18.043 -31.823 13.930 1.00 24.91 C ATOM 51 C THR A 13 -18.061 -30.303 13.960 1.00 24.48 C ATOM 52 O THR A 13 -18.290 -29.702 15.006 1.00 25.33 O ATOM 53 CB THR A 13 -19.490 -32.363 14.098 1.00 24.19 C ATOM 54 OG1 THR A 13 -19.449 -33.789 14.186 1.00 25.54 O ATOM 55 CG2 THR A 13 -20.360 -31.957 12.909 1.00 24.74 C ATOM 0 H THR A 13 -17.368 -31.905 15.784 1.00 23.40 H new ATOM 0 HA THR A 13 -17.703 -32.161 13.087 1.00 24.91 H new ATOM 0 HB THR A 13 -19.873 -31.986 14.906 1.00 24.19 H new ATOM 0 HG1 THR A 13 -20.229 -34.087 14.278 1.00 25.54 H new ATOM 0 HG21 THR A 13 -21.258 -32.303 13.032 1.00 24.74 H new ATOM 0 HG22 THR A 13 -20.392 -30.990 12.847 1.00 24.74 H new ATOM 0 HG23 THR A 13 -19.983 -32.321 12.093 1.00 24.74 H new ATOM 56 N LEU A 14 -17.815 -29.688 12.813 1.00 25.63 N ATOM 57 CA LEU A 14 -17.803 -28.238 12.716 1.00 26.61 C ATOM 58 C LEU A 14 -19.173 -27.630 12.997 1.00 27.97 C ATOM 59 O LEU A 14 -20.192 -28.079 12.473 1.00 25.96 O ATOM 60 CB LEU A 14 -17.347 -27.814 11.318 1.00 26.35 C ATOM 61 CG LEU A 14 -16.746 -26.431 10.987 1.00 29.80 C ATOM 62 CD1 LEU A 14 -17.682 -25.685 10.066 1.00 30.28 C ATOM 63 CD2 LEU A 14 -16.428 -25.629 12.239 1.00 28.54 C ATOM 0 H LEU A 14 -17.651 -30.096 12.074 1.00 25.63 H new ATOM 0 HA LEU A 14 -17.185 -27.911 13.389 1.00 26.61 H new ATOM 0 HB2 LEU A 14 -16.689 -28.469 11.038 1.00 26.35 H new ATOM 0 HB3 LEU A 14 -18.117 -27.920 10.738 1.00 26.35 H new ATOM 0 HG LEU A 14 -15.899 -26.564 10.534 1.00 29.80 H new ATOM 0 HD11 LEU A 14 -17.306 -24.816 9.857 1.00 30.28 H new ATOM 0 HD12 LEU A 14 -17.801 -26.191 9.247 1.00 30.28 H new ATOM 0 HD13 LEU A 14 -18.541 -25.569 10.502 1.00 30.28 H new ATOM 0 HD21 LEU A 14 -16.054 -24.770 11.987 1.00 28.54 H new ATOM 0 HD22 LEU A 14 -17.241 -25.490 12.750 1.00 28.54 H new ATOM 0 HD23 LEU A 14 -15.786 -26.115 12.780 1.00 28.54 H new ATOM 64 N ILE A 15 -19.196 -26.613 13.844 1.00 27.35 N ATOM 65 CA ILE A 15 -20.436 -25.925 14.101 1.00 28.94 C ATOM 66 C ILE A 15 -20.274 -24.613 13.356 1.00 30.68 C ATOM 67 O ILE A 15 -21.114 -24.256 12.530 1.00 31.56 O ATOM 68 CB ILE A 15 -20.667 -25.622 15.595 1.00 29.63 C ATOM 69 CG1 ILE A 15 -20.838 -26.918 16.386 1.00 29.67 C ATOM 70 CG2 ILE A 15 -21.908 -24.761 15.754 1.00 28.60 C ATOM 71 CD1 ILE A 15 -21.029 -26.682 17.880 1.00 32.34 C ATOM 0 H ILE A 15 -18.513 -26.313 14.272 1.00 27.35 H new ATOM 0 HA ILE A 15 -21.192 -26.465 13.824 1.00 28.94 H new ATOM 0 HB ILE A 15 -19.894 -25.148 15.939 1.00 29.63 H new ATOM 0 HG12 ILE A 15 -21.603 -27.404 16.040 1.00 29.67 H new ATOM 0 HG13 ILE A 15 -20.059 -27.480 16.249 1.00 29.67 H new ATOM 0 HG21 ILE A 15 -22.052 -24.571 16.694 1.00 28.60 H new ATOM 0 HG22 ILE A 15 -21.788 -23.928 15.271 1.00 28.60 H new ATOM 0 HG23 ILE A 15 -22.677 -25.233 15.398 1.00 28.60 H new ATOM 0 HD11 ILE A 15 -21.132 -27.534 18.332 1.00 32.34 H new ATOM 0 HD12 ILE A 15 -20.255 -26.219 18.236 1.00 32.34 H new ATOM 0 HD13 ILE A 15 -21.822 -26.142 18.024 1.00 32.34 H new ATOM 72 N LYS A 16 -19.166 -23.916 13.608 1.00 30.10 N ATOM 73 CA LYS A 16 -18.932 -22.624 12.964 1.00 30.03 C ATOM 74 C LYS A 16 -17.508 -22.080 13.118 1.00 28.66 C ATOM 75 O LYS A 16 -16.920 -22.134 14.195 1.00 25.86 O ATOM 76 CB LYS A 16 -19.908 -21.600 13.553 1.00 33.45 C ATOM 77 CG LYS A 16 -19.883 -20.247 12.912 1.00 36.57 C ATOM 78 CD LYS A 16 -20.838 -19.309 13.637 1.00 41.76 C ATOM 79 CE LYS A 16 -21.043 -18.017 12.849 1.00 45.49 C ATOM 80 NZ LYS A 16 -19.754 -17.331 12.517 1.00 45.71 N ATOM 0 H LYS A 16 -18.543 -24.171 14.143 1.00 30.10 H new ATOM 0 HA LYS A 16 -19.068 -22.768 12.014 1.00 30.03 H new ATOM 0 HB2 LYS A 16 -20.807 -21.957 13.485 1.00 33.45 H new ATOM 0 HB3 LYS A 16 -19.714 -21.497 14.498 1.00 33.45 H new ATOM 0 HG2 LYS A 16 -18.983 -19.886 12.936 1.00 36.57 H new ATOM 0 HG3 LYS A 16 -20.135 -20.319 11.978 1.00 36.57 H new ATOM 0 HD2 LYS A 16 -21.692 -19.750 13.768 1.00 41.76 H new ATOM 0 HD3 LYS A 16 -20.487 -19.102 14.517 1.00 41.76 H new ATOM 0 HE2 LYS A 16 -21.520 -18.216 12.028 1.00 45.49 H new ATOM 0 HE3 LYS A 16 -21.603 -17.414 13.363 1.00 45.49 H new ATOM 0 HZ1 LYS A 16 -19.923 -16.510 12.218 1.00 45.71 H new ATOM 0 HZ2 LYS A 16 -19.247 -17.282 13.247 1.00 45.71 H new ATOM 0 HZ3 LYS A 16 -19.325 -17.793 11.889 1.00 45.71 H new ATOM 81 N ALA A 17 -16.975 -21.545 12.029 1.00 28.76 N ATOM 82 CA ALA A 17 -15.653 -20.938 12.023 1.00 30.60 C ATOM 83 C ALA A 17 -15.870 -19.510 12.514 1.00 31.07 C ATOM 84 O ALA A 17 -16.739 -18.807 12.017 1.00 31.66 O ATOM 85 CB ALA A 17 -15.095 -20.929 10.619 1.00 33.03 C ATOM 0 H ALA A 17 -17.373 -21.524 11.267 1.00 28.76 H new ATOM 0 HA ALA A 17 -15.024 -21.422 12.580 1.00 30.60 H new ATOM 0 HB1 ALA A 17 -14.214 -20.523 10.623 1.00 33.03 H new ATOM 0 HB2 ALA A 17 -15.029 -21.839 10.291 1.00 33.03 H new ATOM 0 HB3 ALA A 17 -15.683 -20.419 10.040 1.00 33.03 H new ATOM 86 N ILE A 18 -15.088 -19.078 13.489 1.00 29.44 N ATOM 87 CA ILE A 18 -15.269 -17.749 14.037 1.00 30.16 C ATOM 88 C ILE A 18 -14.222 -16.753 13.584 1.00 31.52 C ATOM 89 O ILE A 18 -14.536 -15.605 13.294 1.00 32.14 O ATOM 90 CB ILE A 18 -15.237 -17.789 15.571 1.00 30.38 C ATOM 91 CG1 ILE A 18 -16.370 -18.667 16.100 1.00 31.13 C ATOM 92 CG2 ILE A 18 -15.322 -16.388 16.124 1.00 31.46 C ATOM 93 CD1 ILE A 18 -16.187 -19.050 17.542 1.00 31.58 C ATOM 0 H ILE A 18 -14.452 -19.535 13.844 1.00 29.44 H new ATOM 0 HA ILE A 18 -16.132 -17.455 13.705 1.00 30.16 H new ATOM 0 HB ILE A 18 -14.398 -18.178 15.865 1.00 30.38 H new ATOM 0 HG12 ILE A 18 -17.212 -18.196 15.999 1.00 31.13 H new ATOM 0 HG13 ILE A 18 -16.429 -19.471 15.561 1.00 31.13 H new ATOM 0 HG21 ILE A 18 -15.301 -16.421 17.093 1.00 31.46 H new ATOM 0 HG22 ILE A 18 -14.570 -15.867 15.802 1.00 31.46 H new ATOM 0 HG23 ILE A 18 -16.150 -15.974 15.833 1.00 31.46 H new ATOM 0 HD11 ILE A 18 -16.930 -19.604 17.827 1.00 31.58 H new ATOM 0 HD12 ILE A 18 -15.358 -19.544 17.643 1.00 31.58 H new ATOM 0 HD13 ILE A 18 -16.154 -18.249 18.088 1.00 31.58 H new ATOM 94 N ASP A 19 -12.978 -17.199 13.522 1.00 29.66 N ATOM 95 CA ASP A 19 -11.884 -16.322 13.153 1.00 29.20 C ATOM 96 C ASP A 19 -10.784 -17.170 12.537 1.00 26.84 C ATOM 97 O ASP A 19 -10.942 -18.374 12.366 1.00 25.97 O ATOM 98 CB ASP A 19 -11.365 -15.627 14.414 1.00 30.33 C ATOM 99 CG ASP A 19 -10.880 -14.220 14.150 1.00 34.56 C ATOM 100 OD1 ASP A 19 -10.582 -13.509 15.135 1.00 36.46 O ATOM 101 OD2 ASP A 19 -10.790 -13.819 12.966 1.00 37.65 O ATOM 0 H ASP A 19 -12.746 -18.010 13.691 1.00 29.66 H new ATOM 0 HA ASP A 19 -12.176 -15.651 12.516 1.00 29.20 H new ATOM 0 HB2 ASP A 19 -12.071 -15.602 15.078 1.00 30.33 H new ATOM 0 HB3 ASP A 19 -10.640 -16.149 14.791 1.00 30.33 H new ATOM 102 N GLY A 20 -9.674 -16.540 12.190 1.00 24.46 N ATOM 103 CA GLY A 20 -8.579 -17.300 11.623 1.00 23.86 C ATOM 104 C GLY A 20 -8.018 -18.286 12.644 1.00 22.63 C ATOM 105 O GLY A 20 -7.606 -19.379 12.287 1.00 22.06 O ATOM 0 H GLY A 20 -9.537 -15.695 12.272 1.00 24.46 H new ATOM 0 HA2 GLY A 20 -8.885 -17.780 10.838 1.00 23.86 H new ATOM 0 HA3 GLY A 20 -7.878 -16.697 11.331 1.00 23.86 H new ATOM 106 N ASP A 21 -8.056 -17.913 13.920 1.00 21.37 N ATOM 107 CA ASP A 21 -7.503 -18.728 15.001 1.00 23.68 C ATOM 108 C ASP A 21 -8.520 -19.430 15.925 1.00 22.04 C ATOM 109 O ASP A 21 -8.126 -20.136 16.852 1.00 19.67 O ATOM 110 CB ASP A 21 -6.594 -17.836 15.871 1.00 25.29 C ATOM 111 CG ASP A 21 -7.383 -16.792 16.663 1.00 27.33 C ATOM 112 OD1 ASP A 21 -6.779 -16.019 17.434 1.00 32.63 O ATOM 113 OD2 ASP A 21 -8.618 -16.733 16.523 1.00 32.14 O ATOM 0 H ASP A 21 -8.406 -17.174 14.186 1.00 21.37 H new ATOM 0 HA ASP A 21 -7.030 -19.447 14.553 1.00 23.68 H new ATOM 0 HB2 ASP A 21 -6.092 -18.393 16.486 1.00 25.29 H new ATOM 0 HB3 ASP A 21 -5.948 -17.387 15.304 1.00 25.29 H new ATOM 114 N THR A 22 -9.808 -19.272 15.652 1.00 21.09 N ATOM 115 CA THR A 22 -10.838 -19.827 16.524 1.00 22.29 C ATOM 116 C THR A 22 -11.997 -20.464 15.767 1.00 23.07 C ATOM 117 O THR A 22 -12.523 -19.877 14.811 1.00 22.50 O ATOM 118 CB THR A 22 -11.426 -18.701 17.423 1.00 22.88 C ATOM 119 OG1 THR A 22 -10.371 -18.055 18.132 1.00 24.02 O ATOM 120 CG2 THR A 22 -12.428 -19.258 18.419 1.00 24.17 C ATOM 0 H THR A 22 -10.108 -18.847 14.967 1.00 21.09 H new ATOM 0 HA THR A 22 -10.402 -20.519 17.045 1.00 22.29 H new ATOM 0 HB THR A 22 -11.882 -18.066 16.849 1.00 22.88 H new ATOM 0 HG1 THR A 22 -9.887 -17.633 17.591 1.00 24.02 H new ATOM 0 HG21 THR A 22 -12.777 -18.536 18.965 1.00 24.17 H new ATOM 0 HG22 THR A 22 -13.157 -19.684 17.941 1.00 24.17 H new ATOM 0 HG23 THR A 22 -11.990 -19.910 18.988 1.00 24.17 H new ATOM 121 N VAL A 23 -12.400 -21.656 16.201 1.00 22.40 N ATOM 122 CA VAL A 23 -13.522 -22.343 15.579 1.00 22.44 C ATOM 123 C VAL A 23 -14.403 -23.006 16.636 1.00 24.19 C ATOM 124 O VAL A 23 -13.926 -23.423 17.696 1.00 25.07 O ATOM 125 CB VAL A 23 -13.050 -23.412 14.559 1.00 24.50 C ATOM 126 CG1 VAL A 23 -12.229 -22.741 13.454 1.00 25.32 C ATOM 127 CG2 VAL A 23 -12.233 -24.496 15.268 1.00 22.40 C ATOM 0 H VAL A 23 -12.036 -22.081 16.854 1.00 22.40 H new ATOM 0 HA VAL A 23 -14.036 -21.672 15.103 1.00 22.44 H new ATOM 0 HB VAL A 23 -13.824 -23.836 14.156 1.00 24.50 H new ATOM 0 HG11 VAL A 23 -11.935 -23.411 12.817 1.00 25.32 H new ATOM 0 HG12 VAL A 23 -12.776 -22.081 12.999 1.00 25.32 H new ATOM 0 HG13 VAL A 23 -11.456 -22.305 13.845 1.00 25.32 H new ATOM 0 HG21 VAL A 23 -11.943 -25.158 14.621 1.00 22.40 H new ATOM 0 HG22 VAL A 23 -11.457 -24.094 15.688 1.00 22.40 H new ATOM 0 HG23 VAL A 23 -12.781 -24.924 15.945 1.00 22.40 H new ATOM 128 N LYS A 24 -15.693 -23.088 16.330 1.00 24.27 N ATOM 129 CA LYS A 24 -16.696 -23.686 17.200 1.00 25.26 C ATOM 130 C LYS A 24 -16.912 -25.107 16.700 1.00 23.64 C ATOM 131 O LYS A 24 -17.256 -25.321 15.539 1.00 21.56 O ATOM 132 CB LYS A 24 -17.996 -22.900 17.081 1.00 30.07 C ATOM 133 CG LYS A 24 -18.538 -22.334 18.368 1.00 36.62 C ATOM 134 CD LYS A 24 -19.449 -23.313 19.057 1.00 39.38 C ATOM 135 CE LYS A 24 -20.485 -22.571 19.895 1.00 43.05 C ATOM 136 NZ LYS A 24 -19.861 -21.627 20.870 1.00 46.43 N ATOM 0 H LYS A 24 -16.017 -22.789 15.591 1.00 24.27 H new ATOM 0 HA LYS A 24 -16.413 -23.679 18.128 1.00 25.26 H new ATOM 0 HB2 LYS A 24 -17.857 -22.169 16.459 1.00 30.07 H new ATOM 0 HB3 LYS A 24 -18.670 -23.479 16.692 1.00 30.07 H new ATOM 0 HG2 LYS A 24 -17.803 -22.104 18.957 1.00 36.62 H new ATOM 0 HG3 LYS A 24 -19.022 -21.514 18.184 1.00 36.62 H new ATOM 0 HD2 LYS A 24 -19.894 -23.869 18.399 1.00 39.38 H new ATOM 0 HD3 LYS A 24 -18.929 -23.905 19.623 1.00 39.38 H new ATOM 0 HE2 LYS A 24 -21.079 -22.079 19.308 1.00 43.05 H new ATOM 0 HE3 LYS A 24 -21.029 -23.214 20.375 1.00 43.05 H new ATOM 0 HZ1 LYS A 24 -20.482 -21.326 21.432 1.00 46.43 H new ATOM 0 HZ2 LYS A 24 -19.226 -22.050 21.329 1.00 46.43 H new ATOM 0 HZ3 LYS A 24 -19.502 -20.941 20.431 1.00 46.43 H new ATOM 137 N LEU A 25 -16.735 -26.072 17.586 1.00 22.72 N ATOM 138 CA LEU A 25 -16.860 -27.472 17.216 1.00 24.97 C ATOM 139 C LEU A 25 -17.750 -28.248 18.188 1.00 25.23 C ATOM 140 O LEU A 25 -17.908 -27.864 19.336 1.00 25.12 O ATOM 141 CB LEU A 25 -15.461 -28.100 17.212 1.00 22.73 C ATOM 142 CG LEU A 25 -14.608 -28.433 15.983 1.00 26.96 C ATOM 143 CD1 LEU A 25 -14.864 -27.526 14.803 1.00 22.70 C ATOM 144 CD2 LEU A 25 -13.152 -28.398 16.418 1.00 23.03 C ATOM 0 H LEU A 25 -16.540 -25.937 18.413 1.00 22.72 H new ATOM 0 HA LEU A 25 -17.272 -27.518 16.339 1.00 24.97 H new ATOM 0 HB2 LEU A 25 -14.913 -27.513 17.756 1.00 22.73 H new ATOM 0 HB3 LEU A 25 -15.551 -28.935 17.698 1.00 22.73 H new ATOM 0 HG LEU A 25 -14.851 -29.315 15.661 1.00 26.96 H new ATOM 0 HD11 LEU A 25 -14.295 -27.789 14.063 1.00 22.70 H new ATOM 0 HD12 LEU A 25 -15.794 -27.596 14.536 1.00 22.70 H new ATOM 0 HD13 LEU A 25 -14.667 -26.609 15.051 1.00 22.70 H new ATOM 0 HD21 LEU A 25 -12.583 -28.605 15.661 1.00 23.03 H new ATOM 0 HD22 LEU A 25 -12.935 -27.514 16.752 1.00 23.03 H new ATOM 0 HD23 LEU A 25 -13.008 -29.053 17.119 1.00 23.03 H new ATOM 145 N MET A 26 -18.339 -29.334 17.704 1.00 27.01 N ATOM 146 CA MET A 26 -19.149 -30.205 18.538 1.00 28.40 C ATOM 147 C MET A 26 -18.138 -31.289 18.896 1.00 29.70 C ATOM 148 O MET A 26 -17.710 -32.064 18.041 1.00 29.56 O ATOM 149 CB MET A 26 -20.301 -30.800 17.732 1.00 32.01 C ATOM 150 CG MET A 26 -21.286 -31.604 18.555 1.00 37.78 C ATOM 151 SD MET A 26 -22.115 -30.578 19.779 1.00 41.61 S ATOM 152 CE MET A 26 -23.209 -29.705 18.760 1.00 42.11 C ATOM 0 H MET A 26 -18.280 -29.585 16.884 1.00 27.01 H new ATOM 0 HA MET A 26 -19.558 -29.765 19.300 1.00 28.40 H new ATOM 0 HB2 MET A 26 -20.777 -30.081 17.288 1.00 32.01 H new ATOM 0 HB3 MET A 26 -19.936 -31.369 17.037 1.00 32.01 H new ATOM 0 HG2 MET A 26 -21.945 -32.007 17.969 1.00 37.78 H new ATOM 0 HG3 MET A 26 -20.821 -32.329 19.001 1.00 37.78 H new ATOM 0 HE1 MET A 26 -23.083 -28.752 18.890 1.00 42.11 H new ATOM 0 HE2 MET A 26 -23.037 -29.930 17.832 1.00 42.11 H new ATOM 0 HE3 MET A 26 -24.122 -29.943 18.986 1.00 42.11 H new ATOM 153 N TYR A 27 -17.733 -31.307 20.158 1.00 30.57 N ATOM 154 CA TYR A 27 -16.743 -32.252 20.647 1.00 30.71 C ATOM 155 C TYR A 27 -17.375 -33.113 21.733 1.00 31.76 C ATOM 156 O TYR A 27 -17.866 -32.606 22.739 1.00 30.03 O ATOM 157 CB TYR A 27 -15.533 -31.470 21.185 1.00 29.17 C ATOM 158 CG TYR A 27 -14.487 -32.304 21.880 1.00 28.00 C ATOM 159 CD1 TYR A 27 -13.723 -33.232 21.179 1.00 26.30 C ATOM 160 CD2 TYR A 27 -14.266 -32.168 23.251 1.00 29.78 C ATOM 161 CE1 TYR A 27 -12.767 -34.003 21.822 1.00 29.14 C ATOM 162 CE2 TYR A 27 -13.311 -32.937 23.908 1.00 28.39 C ATOM 163 CZ TYR A 27 -12.568 -33.851 23.190 1.00 30.44 C ATOM 164 OH TYR A 27 -11.630 -34.624 23.842 1.00 33.94 O ATOM 0 H TYR A 27 -18.028 -30.767 20.759 1.00 30.57 H new ATOM 0 HA TYR A 27 -16.439 -32.835 19.934 1.00 30.71 H new ATOM 0 HB2 TYR A 27 -15.114 -31.002 20.446 1.00 29.17 H new ATOM 0 HB3 TYR A 27 -15.852 -30.795 21.804 1.00 29.17 H new ATOM 0 HD1 TYR A 27 -13.856 -33.337 20.265 1.00 26.30 H new ATOM 0 HD2 TYR A 27 -14.767 -31.551 23.735 1.00 29.78 H new ATOM 0 HE1 TYR A 27 -12.262 -34.618 21.341 1.00 29.14 H new ATOM 0 HE2 TYR A 27 -13.175 -32.836 24.822 1.00 28.39 H new ATOM 0 HH TYR A 27 -11.782 -35.436 23.691 1.00 33.94 H new ATOM 165 N LYS A 28 -17.363 -34.420 21.500 1.00 35.86 N ATOM 166 CA LYS A 28 -17.942 -35.400 22.412 1.00 39.33 C ATOM 167 C LYS A 28 -19.350 -35.024 22.870 1.00 40.72 C ATOM 168 O LYS A 28 -19.658 -35.045 24.064 1.00 41.15 O ATOM 169 CB LYS A 28 -17.046 -35.603 23.631 1.00 41.60 C ATOM 170 CG LYS A 28 -15.684 -36.190 23.306 1.00 44.34 C ATOM 171 CD LYS A 28 -15.030 -36.729 24.568 1.00 48.92 C ATOM 172 CE LYS A 28 -15.048 -35.691 25.690 1.00 51.75 C ATOM 173 NZ LYS A 28 -14.697 -36.296 27.012 1.00 54.85 N ATOM 0 H LYS A 28 -17.013 -34.769 20.796 1.00 35.86 H new ATOM 0 HA LYS A 28 -18.008 -36.229 21.912 1.00 39.33 H new ATOM 0 HB2 LYS A 28 -16.922 -34.750 24.076 1.00 41.60 H new ATOM 0 HB3 LYS A 28 -17.498 -36.187 24.259 1.00 41.60 H new ATOM 0 HG2 LYS A 28 -15.778 -36.901 22.653 1.00 44.34 H new ATOM 0 HG3 LYS A 28 -15.119 -35.511 22.906 1.00 44.34 H new ATOM 0 HD2 LYS A 28 -15.494 -37.530 24.858 1.00 48.92 H new ATOM 0 HD3 LYS A 28 -14.114 -36.985 24.376 1.00 48.92 H new ATOM 0 HE2 LYS A 28 -14.421 -34.980 25.483 1.00 51.75 H new ATOM 0 HE3 LYS A 28 -15.928 -35.287 25.743 1.00 51.75 H new ATOM 0 HZ1 LYS A 28 -14.717 -35.667 27.641 1.00 54.85 H new ATOM 0 HZ2 LYS A 28 -15.285 -36.934 27.212 1.00 54.85 H new ATOM 0 HZ3 LYS A 28 -13.881 -36.648 26.970 1.00 54.85 H new ATOM 174 N GLY A 29 -20.192 -34.654 21.914 1.00 41.23 N ATOM 175 CA GLY A 29 -21.565 -34.328 22.239 1.00 42.37 C ATOM 176 C GLY A 29 -21.935 -32.899 22.557 1.00 42.58 C ATOM 177 O GLY A 29 -23.119 -32.592 22.621 1.00 43.53 O ATOM 0 H GLY A 29 -19.988 -34.587 21.081 1.00 41.23 H new ATOM 0 HA2 GLY A 29 -22.116 -34.611 21.492 1.00 42.37 H new ATOM 0 HA3 GLY A 29 -21.820 -34.871 23.001 1.00 42.37 H new ATOM 178 N GLN A 30 -20.966 -32.016 22.756 1.00 42.97 N ATOM 179 CA GLN A 30 -21.327 -30.640 23.070 1.00 42.50 C ATOM 180 C GLN A 30 -20.520 -29.572 22.357 1.00 39.91 C ATOM 181 O GLN A 30 -19.348 -29.768 22.051 1.00 37.83 O ATOM 182 CB GLN A 30 -21.248 -30.409 24.575 1.00 46.88 C ATOM 183 CG GLN A 30 -19.894 -30.681 25.182 1.00 51.86 C ATOM 184 CD GLN A 30 -19.889 -30.394 26.672 1.00 56.45 C ATOM 185 OE1 GLN A 30 -20.738 -30.899 27.411 1.00 57.98 O ATOM 186 NE2 GLN A 30 -18.935 -29.582 27.122 1.00 56.94 N ATOM 0 H GLN A 30 -20.123 -32.182 22.716 1.00 42.97 H new ATOM 0 HA GLN A 30 -22.234 -30.543 22.741 1.00 42.50 H new ATOM 0 HB2 GLN A 30 -21.495 -29.490 24.763 1.00 46.88 H new ATOM 0 HB3 GLN A 30 -21.905 -30.974 25.012 1.00 46.88 H new ATOM 0 HG2 GLN A 30 -19.649 -31.607 25.028 1.00 51.86 H new ATOM 0 HG3 GLN A 30 -19.225 -30.133 24.743 1.00 51.86 H new ATOM 0 HE21 GLN A 30 -18.360 -29.249 26.575 1.00 56.94 H new ATOM 0 HE22 GLN A 30 -18.893 -29.390 27.959 1.00 56.94 H new ATOM 187 N PRO A 31 -21.156 -28.419 22.080 1.00 38.11 N ATOM 188 CA PRO A 31 -20.520 -27.289 21.399 1.00 36.01 C ATOM 189 C PRO A 31 -19.358 -26.784 22.229 1.00 34.24 C ATOM 190 O PRO A 31 -19.425 -26.765 23.454 1.00 32.71 O ATOM 191 CB PRO A 31 -21.650 -26.260 21.284 1.00 37.34 C ATOM 192 CG PRO A 31 -22.527 -26.576 22.465 1.00 38.06 C ATOM 193 CD PRO A 31 -22.543 -28.091 22.462 1.00 38.29 C ATOM 0 HA PRO A 31 -20.146 -27.505 20.531 1.00 36.01 H new ATOM 0 HB2 PRO A 31 -21.312 -25.352 21.322 1.00 37.34 H new ATOM 0 HB3 PRO A 31 -22.131 -26.349 20.447 1.00 37.34 H new ATOM 0 HG2 PRO A 31 -22.163 -26.220 23.291 1.00 38.06 H new ATOM 0 HG3 PRO A 31 -23.417 -26.205 22.364 1.00 38.06 H new ATOM 0 HD2 PRO A 31 -22.774 -28.452 23.332 1.00 38.29 H new ATOM 0 HD3 PRO A 31 -23.186 -28.445 21.828 1.00 38.29 H new ATOM 194 N MET A 32 -18.295 -26.365 21.557 1.00 31.79 N ATOM 195 CA MET A 32 -17.117 -25.894 22.259 1.00 29.61 C ATOM 196 C MET A 32 -16.268 -25.030 21.340 1.00 26.49 C ATOM 197 O MET A 32 -16.099 -25.337 20.168 1.00 25.46 O ATOM 198 CB MET A 32 -16.299 -27.106 22.711 1.00 32.24 C ATOM 199 CG MET A 32 -15.419 -26.858 23.901 1.00 37.97 C ATOM 200 SD MET A 32 -14.521 -28.348 24.353 1.00 43.97 S ATOM 201 CE MET A 32 -12.856 -27.705 24.368 1.00 40.67 C ATOM 0 H MET A 32 -18.237 -26.346 20.699 1.00 31.79 H new ATOM 0 HA MET A 32 -17.388 -25.364 23.025 1.00 29.61 H new ATOM 0 HB2 MET A 32 -16.907 -27.832 22.919 1.00 32.24 H new ATOM 0 HB3 MET A 32 -15.746 -27.402 21.971 1.00 32.24 H new ATOM 0 HG2 MET A 32 -14.792 -26.145 23.702 1.00 37.97 H new ATOM 0 HG3 MET A 32 -15.958 -26.560 24.651 1.00 37.97 H new ATOM 0 HE1 MET A 32 -12.226 -28.440 24.430 1.00 40.67 H new ATOM 0 HE2 MET A 32 -12.694 -27.208 23.551 1.00 40.67 H new ATOM 0 HE3 MET A 32 -12.743 -27.118 25.131 1.00 40.67 H new ATOM 202 N THR A 33 -15.722 -23.957 21.890 1.00 25.09 N ATOM 203 CA THR A 33 -14.873 -23.071 21.123 1.00 25.53 C ATOM 204 C THR A 33 -13.418 -23.504 21.285 1.00 24.03 C ATOM 205 O THR A 33 -12.923 -23.710 22.407 1.00 21.85 O ATOM 206 CB THR A 33 -15.042 -21.610 21.592 1.00 27.93 C ATOM 207 OG1 THR A 33 -16.407 -21.223 21.406 1.00 29.28 O ATOM 208 CG2 THR A 33 -14.141 -20.665 20.790 1.00 24.92 C ATOM 0 H THR A 33 -15.833 -23.725 22.711 1.00 25.09 H new ATOM 0 HA THR A 33 -15.128 -23.121 20.189 1.00 25.53 H new ATOM 0 HB THR A 33 -14.791 -21.552 22.527 1.00 27.93 H new ATOM 0 HG1 THR A 33 -16.510 -20.429 21.660 1.00 29.28 H new ATOM 0 HG21 THR A 33 -14.266 -19.755 21.103 1.00 24.92 H new ATOM 0 HG22 THR A 33 -13.214 -20.923 20.909 1.00 24.92 H new ATOM 0 HG23 THR A 33 -14.373 -20.717 19.850 1.00 24.92 H new ATOM 209 N PHE A 34 -12.743 -23.665 20.153 1.00 21.79 N ATOM 210 CA PHE A 34 -11.349 -24.068 20.167 1.00 20.31 C ATOM 211 C PHE A 34 -10.463 -22.955 19.652 1.00 18.86 C ATOM 212 O PHE A 34 -10.803 -22.276 18.693 1.00 20.17 O ATOM 213 CB PHE A 34 -11.125 -25.315 19.295 1.00 18.67 C ATOM 214 CG PHE A 34 -11.566 -26.592 19.938 1.00 20.54 C ATOM 215 CD1 PHE A 34 -12.909 -26.956 19.950 1.00 18.74 C ATOM 216 CD2 PHE A 34 -10.627 -27.430 20.564 1.00 18.10 C ATOM 217 CE1 PHE A 34 -13.312 -28.130 20.577 1.00 21.03 C ATOM 218 CE2 PHE A 34 -11.018 -28.596 21.187 1.00 19.22 C ATOM 219 CZ PHE A 34 -12.375 -28.953 21.198 1.00 20.12 C ATOM 0 H PHE A 34 -13.075 -23.545 19.369 1.00 21.79 H new ATOM 0 HA PHE A 34 -11.119 -24.271 21.087 1.00 20.31 H new ATOM 0 HB2 PHE A 34 -11.602 -25.203 18.458 1.00 18.67 H new ATOM 0 HB3 PHE A 34 -10.182 -25.382 19.078 1.00 18.67 H new ATOM 0 HD1 PHE A 34 -13.540 -26.412 19.537 1.00 18.74 H new ATOM 0 HD2 PHE A 34 -9.727 -27.194 20.558 1.00 18.10 H new ATOM 0 HE1 PHE A 34 -14.211 -28.367 20.582 1.00 21.03 H new ATOM 0 HE2 PHE A 34 -10.387 -29.142 21.597 1.00 19.22 H new ATOM 0 HZ PHE A 34 -12.648 -29.736 21.618 1.00 20.12 H new ATOM 220 N ARG A 35 -9.326 -22.778 20.308 1.00 18.20 N ATOM 221 CA ARG A 35 -8.330 -21.797 19.910 1.00 17.98 C ATOM 222 C ARG A 35 -7.165 -22.645 19.350 1.00 18.61 C ATOM 223 O ARG A 35 -6.633 -23.508 20.041 1.00 19.98 O ATOM 224 CB ARG A 35 -7.870 -20.991 21.131 1.00 17.74 C ATOM 225 CG ARG A 35 -6.613 -20.123 20.906 1.00 20.26 C ATOM 226 CD ARG A 35 -6.857 -19.030 19.879 1.00 20.30 C ATOM 227 NE ARG A 35 -5.818 -17.999 19.900 1.00 23.45 N ATOM 228 CZ ARG A 35 -4.677 -18.043 19.205 1.00 27.12 C ATOM 229 NH1 ARG A 35 -4.393 -19.074 18.411 1.00 22.48 N ATOM 230 NH2 ARG A 35 -3.816 -17.032 19.290 1.00 26.75 N ATOM 0 H ARG A 35 -9.108 -23.230 21.006 1.00 18.20 H new ATOM 0 HA ARG A 35 -8.667 -21.158 19.262 1.00 17.98 H new ATOM 0 HB2 ARG A 35 -8.597 -20.415 21.414 1.00 17.74 H new ATOM 0 HB3 ARG A 35 -7.695 -21.606 21.860 1.00 17.74 H new ATOM 0 HG2 ARG A 35 -6.342 -19.722 21.747 1.00 20.26 H new ATOM 0 HG3 ARG A 35 -5.880 -20.686 20.611 1.00 20.26 H new ATOM 0 HD2 ARG A 35 -6.898 -19.425 18.994 1.00 20.30 H new ATOM 0 HD3 ARG A 35 -7.720 -18.619 20.047 1.00 20.30 H new ATOM 0 HE ARG A 35 -5.952 -17.311 20.398 1.00 23.45 H new ATOM 0 HH11 ARG A 35 -4.948 -19.727 18.339 1.00 22.48 H new ATOM 0 HH12 ARG A 35 -3.654 -19.087 17.971 1.00 22.48 H new ATOM 0 HH21 ARG A 35 -3.995 -16.356 19.790 1.00 26.75 H new ATOM 0 HH22 ARG A 35 -3.080 -17.055 18.845 1.00 26.75 H new ATOM 231 N LEU A 36 -6.785 -22.415 18.101 1.00 18.60 N ATOM 232 CA LEU A 36 -5.690 -23.179 17.492 1.00 19.70 C ATOM 233 C LEU A 36 -4.356 -22.965 18.198 1.00 19.15 C ATOM 234 O LEU A 36 -3.911 -21.837 18.349 1.00 19.46 O ATOM 235 CB LEU A 36 -5.547 -22.813 16.013 1.00 19.96 C ATOM 236 CG LEU A 36 -6.544 -23.486 15.061 1.00 21.61 C ATOM 237 CD1 LEU A 36 -7.974 -23.340 15.577 1.00 24.61 C ATOM 238 CD2 LEU A 36 -6.388 -22.851 13.675 1.00 22.79 C ATOM 0 H LEU A 36 -7.142 -21.826 17.587 1.00 18.60 H new ATOM 0 HA LEU A 36 -5.922 -24.116 17.584 1.00 19.70 H new ATOM 0 HB2 LEU A 36 -5.639 -21.851 15.924 1.00 19.96 H new ATOM 0 HB3 LEU A 36 -4.648 -23.039 15.726 1.00 19.96 H new ATOM 0 HG LEU A 36 -6.359 -24.437 15.007 1.00 21.61 H new ATOM 0 HD11 LEU A 36 -8.586 -23.772 14.961 1.00 24.61 H new ATOM 0 HD12 LEU A 36 -8.047 -23.756 16.450 1.00 24.61 H new ATOM 0 HD13 LEU A 36 -8.198 -22.399 15.648 1.00 24.61 H new ATOM 0 HD21 LEU A 36 -7.012 -23.264 13.057 1.00 22.79 H new ATOM 0 HD22 LEU A 36 -6.572 -21.900 13.732 1.00 22.79 H new ATOM 0 HD23 LEU A 36 -5.482 -22.986 13.357 1.00 22.79 H new ATOM 239 N LEU A 37 -3.735 -24.060 18.627 1.00 17.75 N ATOM 240 CA LEU A 37 -2.453 -24.001 19.312 1.00 19.21 C ATOM 241 C LEU A 37 -1.314 -23.476 18.427 1.00 18.78 C ATOM 242 O LEU A 37 -1.301 -23.693 17.216 1.00 18.09 O ATOM 243 CB LEU A 37 -2.047 -25.398 19.810 1.00 18.08 C ATOM 244 CG LEU A 37 -2.480 -25.911 21.181 1.00 20.67 C ATOM 245 CD1 LEU A 37 -1.952 -27.352 21.366 1.00 18.38 C ATOM 246 CD2 LEU A 37 -1.934 -24.982 22.277 1.00 18.31 C ATOM 0 H LEU A 37 -4.046 -24.856 18.528 1.00 17.75 H new ATOM 0 HA LEU A 37 -2.580 -23.383 20.049 1.00 19.21 H new ATOM 0 HB2 LEU A 37 -2.370 -26.036 19.155 1.00 18.08 H new ATOM 0 HB3 LEU A 37 -1.078 -25.435 19.788 1.00 18.08 H new ATOM 0 HG LEU A 37 -3.448 -25.919 21.246 1.00 20.67 H new ATOM 0 HD11 LEU A 37 -2.222 -27.687 22.235 1.00 18.38 H new ATOM 0 HD12 LEU A 37 -2.318 -27.923 20.672 1.00 18.38 H new ATOM 0 HD13 LEU A 37 -0.984 -27.352 21.307 1.00 18.38 H new ATOM 0 HD21 LEU A 37 -2.211 -25.310 23.147 1.00 18.31 H new ATOM 0 HD22 LEU A 37 -0.965 -24.963 22.232 1.00 18.31 H new ATOM 0 HD23 LEU A 37 -2.281 -24.086 22.145 1.00 18.31 H new ATOM 247 N LEU A 38 -0.373 -22.786 19.068 1.00 20.52 N ATOM 248 CA LEU A 38 0.849 -22.255 18.451 1.00 22.04 C ATOM 249 C LEU A 38 0.784 -21.339 17.248 1.00 23.67 C ATOM 250 O LEU A 38 1.786 -21.171 16.551 1.00 26.03 O ATOM 251 CB LEU A 38 1.800 -23.422 18.129 1.00 23.79 C ATOM 252 CG LEU A 38 2.265 -24.206 19.365 1.00 24.61 C ATOM 253 CD1 LEU A 38 3.043 -25.473 18.974 1.00 26.13 C ATOM 254 CD2 LEU A 38 3.126 -23.298 20.208 1.00 24.93 C ATOM 0 H LEU A 38 -0.428 -22.606 19.907 1.00 20.52 H new ATOM 0 HA LEU A 38 1.154 -21.646 19.142 1.00 22.04 H new ATOM 0 HB2 LEU A 38 1.355 -24.031 17.519 1.00 23.79 H new ATOM 0 HB3 LEU A 38 2.578 -23.075 17.666 1.00 23.79 H new ATOM 0 HG LEU A 38 1.488 -24.495 19.868 1.00 24.61 H new ATOM 0 HD11 LEU A 38 3.321 -25.943 19.776 1.00 26.13 H new ATOM 0 HD12 LEU A 38 2.474 -26.051 18.442 1.00 26.13 H new ATOM 0 HD13 LEU A 38 3.826 -25.226 18.457 1.00 26.13 H new ATOM 0 HD21 LEU A 38 3.429 -23.778 20.995 1.00 24.93 H new ATOM 0 HD22 LEU A 38 3.894 -23.008 19.691 1.00 24.93 H new ATOM 0 HD23 LEU A 38 2.609 -22.524 20.481 1.00 24.93 H new ATOM 255 N VAL A 39 -0.369 -20.738 16.986 1.00 24.68 N ATOM 256 CA VAL A 39 -0.466 -19.825 15.853 1.00 25.71 C ATOM 257 C VAL A 39 -1.117 -18.509 16.258 1.00 27.48 C ATOM 258 O VAL A 39 -2.036 -18.483 17.087 1.00 25.86 O ATOM 259 CB VAL A 39 -1.292 -20.433 14.653 1.00 27.22 C ATOM 260 CG1 VAL A 39 -0.759 -21.803 14.296 1.00 27.52 C ATOM 261 CG2 VAL A 39 -2.768 -20.511 14.992 1.00 25.46 C ATOM 0 H VAL A 39 -1.093 -20.840 17.439 1.00 24.68 H new ATOM 0 HA VAL A 39 0.447 -19.673 15.561 1.00 25.71 H new ATOM 0 HB VAL A 39 -1.192 -19.847 13.887 1.00 27.22 H new ATOM 0 HG11 VAL A 39 -1.272 -22.168 13.558 1.00 27.52 H new ATOM 0 HG12 VAL A 39 0.173 -21.730 14.036 1.00 27.52 H new ATOM 0 HG13 VAL A 39 -0.835 -22.390 15.064 1.00 27.52 H new ATOM 0 HG21 VAL A 39 -3.253 -20.887 14.241 1.00 25.46 H new ATOM 0 HG22 VAL A 39 -2.892 -21.075 15.771 1.00 25.46 H new ATOM 0 HG23 VAL A 39 -3.104 -19.621 15.181 1.00 25.46 H new ATOM 262 N ASP A 40 -0.612 -17.427 15.677 1.00 27.79 N ATOM 263 CA ASP A 40 -1.146 -16.088 15.885 1.00 30.44 C ATOM 264 C ASP A 40 -1.521 -15.561 14.517 1.00 30.05 C ATOM 265 O ASP A 40 -0.653 -15.303 13.689 1.00 27.97 O ATOM 266 CB ASP A 40 -0.106 -15.152 16.504 1.00 33.87 C ATOM 267 CG ASP A 40 0.052 -15.363 17.990 1.00 38.90 C ATOM 268 OD1 ASP A 40 -0.955 -15.702 18.662 1.00 39.61 O ATOM 269 OD2 ASP A 40 1.177 -15.174 18.489 1.00 41.91 O ATOM 0 H ASP A 40 0.061 -17.451 15.142 1.00 27.79 H new ATOM 0 HA ASP A 40 -1.901 -16.126 16.492 1.00 30.44 H new ATOM 0 HB2 ASP A 40 0.749 -15.291 16.068 1.00 33.87 H new ATOM 0 HB3 ASP A 40 -0.364 -14.232 16.337 1.00 33.87 H new ATOM 270 N THR A 41 -2.814 -15.412 14.280 1.00 29.69 N ATOM 271 CA THR A 41 -3.291 -14.920 13.002 1.00 32.54 C ATOM 272 C THR A 41 -3.716 -13.467 13.153 1.00 34.01 C ATOM 273 O THR A 41 -3.984 -13.016 14.260 1.00 33.14 O ATOM 274 CB THR A 41 -4.519 -15.706 12.543 1.00 31.54 C ATOM 275 OG1 THR A 41 -5.567 -15.534 13.505 1.00 32.69 O ATOM 276 CG2 THR A 41 -4.202 -17.182 12.442 1.00 32.47 C ATOM 0 H THR A 41 -3.433 -15.591 14.849 1.00 29.69 H new ATOM 0 HA THR A 41 -2.574 -15.017 12.355 1.00 32.54 H new ATOM 0 HB THR A 41 -4.790 -15.377 11.672 1.00 31.54 H new ATOM 0 HG1 THR A 41 -6.247 -15.962 13.259 1.00 32.69 H new ATOM 0 HG21 THR A 41 -4.992 -17.664 12.150 1.00 32.47 H new ATOM 0 HG22 THR A 41 -3.486 -17.316 11.801 1.00 32.47 H new ATOM 0 HG23 THR A 41 -3.924 -17.514 13.310 1.00 32.47 H new ATOM 277 N PRO A 42 -3.763 -12.711 12.042 1.00 35.96 N ATOM 278 CA PRO A 42 -4.186 -11.310 12.136 1.00 37.93 C ATOM 279 C PRO A 42 -5.650 -11.368 12.587 1.00 41.22 C ATOM 280 O PRO A 42 -6.390 -12.265 12.173 1.00 40.55 O ATOM 281 CB PRO A 42 -4.059 -10.811 10.697 1.00 37.16 C ATOM 282 CG PRO A 42 -2.984 -11.686 10.125 1.00 36.54 C ATOM 283 CD PRO A 42 -3.347 -13.039 10.669 1.00 36.17 C ATOM 0 HA PRO A 42 -3.688 -10.741 12.743 1.00 37.93 H new ATOM 0 HB2 PRO A 42 -4.893 -10.904 10.211 1.00 37.16 H new ATOM 0 HB3 PRO A 42 -3.814 -9.873 10.663 1.00 37.16 H new ATOM 0 HG2 PRO A 42 -2.986 -11.674 9.155 1.00 36.54 H new ATOM 0 HG3 PRO A 42 -2.100 -11.407 10.411 1.00 36.54 H new ATOM 0 HD2 PRO A 42 -4.062 -13.455 10.162 1.00 36.17 H new ATOM 0 HD3 PRO A 42 -2.595 -13.651 10.653 1.00 36.17 H new ATOM 284 N GLU A 43 -6.070 -10.424 13.422 1.00 45.09 N ATOM 285 CA GLU A 43 -7.439 -10.427 13.924 1.00 48.27 C ATOM 286 C GLU A 43 -8.403 -9.647 13.046 1.00 49.00 C ATOM 287 O GLU A 43 -8.034 -8.648 12.431 1.00 49.40 O ATOM 288 CB GLU A 43 -7.487 -9.851 15.345 1.00 49.88 C ATOM 289 CG GLU A 43 -8.293 -10.695 16.330 1.00 51.76 C ATOM 290 CD GLU A 43 -7.428 -11.684 17.102 1.00 52.93 C ATOM 291 OE1 GLU A 43 -6.539 -12.317 16.492 1.00 53.78 O ATOM 292 OE2 GLU A 43 -7.646 -11.838 18.322 1.00 51.87 O ATOM 0 H GLU A 43 -5.582 -9.777 13.709 1.00 45.09 H new ATOM 0 HA GLU A 43 -7.723 -11.354 13.920 1.00 48.27 H new ATOM 0 HB2 GLU A 43 -6.580 -9.760 15.678 1.00 49.88 H new ATOM 0 HB3 GLU A 43 -7.868 -8.959 15.310 1.00 49.88 H new ATOM 0 HG2 GLU A 43 -8.746 -10.109 16.957 1.00 51.76 H new ATOM 0 HG3 GLU A 43 -8.980 -11.180 15.847 1.00 51.76 H new ATOM 293 N THR A 44 -9.643 -10.121 12.989 1.00 50.45 N ATOM 294 CA THR A 44 -10.681 -9.451 12.219 1.00 52.11 C ATOM 295 C THR A 44 -11.627 -8.724 13.185 1.00 53.34 C ATOM 296 O THR A 44 -12.328 -7.791 12.794 1.00 53.76 O ATOM 297 CB THR A 44 -11.516 -10.444 11.386 1.00 51.05 C ATOM 298 OG1 THR A 44 -12.189 -11.357 12.261 1.00 50.68 O ATOM 299 CG2 THR A 44 -10.632 -11.212 10.427 1.00 50.61 C ATOM 0 H THR A 44 -9.904 -10.834 13.392 1.00 50.45 H new ATOM 0 HA THR A 44 -10.245 -8.832 11.613 1.00 52.11 H new ATOM 0 HB THR A 44 -12.169 -9.945 10.871 1.00 51.05 H new ATOM 0 HG1 THR A 44 -11.707 -12.033 12.385 1.00 50.68 H new ATOM 0 HG21 THR A 44 -11.173 -11.831 9.912 1.00 50.61 H new ATOM 0 HG22 THR A 44 -10.191 -10.592 9.826 1.00 50.61 H new ATOM 0 HG23 THR A 44 -9.964 -11.707 10.927 1.00 50.61 H new ATOM 300 N LYS A 45 -11.631 -9.149 14.449 1.00 54.68 N ATOM 301 CA LYS A 45 -12.503 -8.542 15.453 1.00 55.43 C ATOM 302 C LYS A 45 -11.979 -7.203 15.987 1.00 56.41 C ATOM 303 O LYS A 45 -10.925 -7.128 16.627 1.00 57.72 O ATOM 304 CB LYS A 45 -12.735 -9.520 16.616 1.00 53.96 C ATOM 305 CG LYS A 45 -11.578 -9.662 17.602 1.00 52.30 C ATOM 306 CD LYS A 45 -12.038 -10.433 18.832 1.00 50.65 C ATOM 307 CE LYS A 45 -11.036 -10.374 19.973 1.00 49.47 C ATOM 308 NZ LYS A 45 -11.552 -11.071 21.185 1.00 43.56 N ATOM 0 H LYS A 45 -11.136 -9.787 14.745 1.00 54.68 H new ATOM 0 HA LYS A 45 -13.343 -8.352 15.007 1.00 55.43 H new ATOM 0 HB2 LYS A 45 -13.522 -9.234 17.105 1.00 53.96 H new ATOM 0 HB3 LYS A 45 -12.933 -10.395 16.247 1.00 53.96 H new ATOM 0 HG2 LYS A 45 -10.837 -10.124 17.179 1.00 52.30 H new ATOM 0 HG3 LYS A 45 -11.255 -8.785 17.862 1.00 52.30 H new ATOM 0 HD2 LYS A 45 -12.887 -10.075 19.134 1.00 50.65 H new ATOM 0 HD3 LYS A 45 -12.191 -11.360 18.589 1.00 50.65 H new ATOM 0 HE2 LYS A 45 -10.201 -10.781 19.694 1.00 49.47 H new ATOM 0 HE3 LYS A 45 -10.842 -9.448 20.188 1.00 49.47 H new ATOM 0 HZ1 LYS A 45 -10.947 -11.022 21.836 1.00 43.56 H new ATOM 0 HZ2 LYS A 45 -12.307 -10.683 21.452 1.00 43.56 H new ATOM 0 HZ3 LYS A 45 -11.710 -11.925 20.992 1.00 43.56 H new ATOM 309 N VAL A 51 -9.696 -4.169 12.068 1.00 54.35 N ATOM 310 CA VAL A 51 -9.436 -5.304 11.190 1.00 54.17 C ATOM 311 C VAL A 51 -8.005 -5.247 10.686 1.00 53.32 C ATOM 312 O VAL A 51 -7.657 -4.403 9.856 1.00 53.19 O ATOM 313 CB VAL A 51 -10.402 -5.312 9.979 1.00 55.41 C ATOM 314 CG1 VAL A 51 -10.048 -6.449 9.025 1.00 54.83 C ATOM 315 CG2 VAL A 51 -11.836 -5.477 10.467 1.00 56.02 C ATOM 0 HA VAL A 51 -9.577 -6.116 11.702 1.00 54.17 H new ATOM 0 HB VAL A 51 -10.317 -4.470 9.506 1.00 55.41 H new ATOM 0 HG11 VAL A 51 -10.660 -6.442 8.272 1.00 54.83 H new ATOM 0 HG12 VAL A 51 -9.140 -6.332 8.704 1.00 54.83 H new ATOM 0 HG13 VAL A 51 -10.119 -7.297 9.491 1.00 54.83 H new ATOM 0 HG21 VAL A 51 -12.438 -5.482 9.707 1.00 56.02 H new ATOM 0 HG22 VAL A 51 -11.919 -6.314 10.950 1.00 56.02 H new ATOM 0 HG23 VAL A 51 -12.065 -4.741 11.055 1.00 56.02 H new ATOM 316 N GLU A 52 -7.179 -6.154 11.197 1.00 51.95 N ATOM 317 CA GLU A 52 -5.777 -6.216 10.813 1.00 50.27 C ATOM 318 C GLU A 52 -5.604 -6.753 9.399 1.00 48.27 C ATOM 319 O GLU A 52 -6.488 -7.426 8.867 1.00 47.05 O ATOM 320 CB GLU A 52 -5.004 -7.092 11.797 1.00 51.51 C ATOM 321 CG GLU A 52 -4.941 -6.529 13.201 1.00 54.12 C ATOM 322 CD GLU A 52 -4.122 -7.391 14.138 1.00 55.98 C ATOM 323 OE1 GLU A 52 -4.592 -8.490 14.508 1.00 56.33 O ATOM 324 OE2 GLU A 52 -3.003 -6.968 14.498 1.00 57.75 O ATOM 0 H GLU A 52 -7.415 -6.747 11.773 1.00 51.95 H new ATOM 0 HA GLU A 52 -5.425 -5.312 10.834 1.00 50.27 H new ATOM 0 HB2 GLU A 52 -5.416 -7.969 11.828 1.00 51.51 H new ATOM 0 HB3 GLU A 52 -4.100 -7.215 11.466 1.00 51.51 H new ATOM 0 HG2 GLU A 52 -4.560 -5.637 13.171 1.00 54.12 H new ATOM 0 HG3 GLU A 52 -5.841 -6.441 13.551 1.00 54.12 H new ATOM 325 N LYS A 53 -4.459 -6.443 8.799 1.00 46.59 N ATOM 326 CA LYS A 53 -4.145 -6.880 7.445 1.00 46.08 C ATOM 327 C LYS A 53 -3.961 -8.395 7.432 1.00 44.19 C ATOM 328 O LYS A 53 -3.259 -8.945 8.283 1.00 43.23 O ATOM 329 CB LYS A 53 -2.876 -6.182 6.948 1.00 47.30 C ATOM 330 CG LYS A 53 -2.550 -6.468 5.492 1.00 49.61 C ATOM 331 CD LYS A 53 -1.818 -5.298 4.861 1.00 51.77 C ATOM 332 CE LYS A 53 -1.447 -5.579 3.417 1.00 53.69 C ATOM 333 NZ LYS A 53 -0.358 -6.599 3.303 1.00 56.62 N ATOM 0 H LYS A 53 -3.841 -5.972 9.168 1.00 46.59 H new ATOM 0 HA LYS A 53 -4.875 -6.644 6.852 1.00 46.08 H new ATOM 0 HB2 LYS A 53 -2.976 -5.224 7.066 1.00 47.30 H new ATOM 0 HB3 LYS A 53 -2.127 -6.459 7.499 1.00 47.30 H new ATOM 0 HG2 LYS A 53 -2.004 -7.267 5.430 1.00 49.61 H new ATOM 0 HG3 LYS A 53 -3.368 -6.645 5.002 1.00 49.61 H new ATOM 0 HD2 LYS A 53 -2.377 -4.506 4.903 1.00 51.77 H new ATOM 0 HD3 LYS A 53 -1.015 -5.106 5.370 1.00 51.77 H new ATOM 0 HE2 LYS A 53 -2.231 -5.890 2.938 1.00 53.69 H new ATOM 0 HE3 LYS A 53 -1.162 -4.755 2.991 1.00 53.69 H new ATOM 0 HZ1 LYS A 53 0.010 -6.551 2.494 1.00 56.62 H new ATOM 0 HZ2 LYS A 53 0.263 -6.441 3.921 1.00 56.62 H new ATOM 0 HZ3 LYS A 53 -0.698 -7.412 3.426 1.00 56.62 H new ATOM 334 N TYR A 54 -4.604 -9.043 6.459 1.00 41.56 N ATOM 335 CA TYR A 54 -4.597 -10.496 6.290 1.00 38.53 C ATOM 336 C TYR A 54 -5.562 -11.184 7.259 1.00 36.86 C ATOM 337 O TYR A 54 -5.720 -12.406 7.241 1.00 35.36 O ATOM 338 CB TYR A 54 -3.174 -11.048 6.424 1.00 37.82 C ATOM 339 CG TYR A 54 -2.313 -10.650 5.247 1.00 39.11 C ATOM 340 CD1 TYR A 54 -2.634 -11.077 3.959 1.00 40.46 C ATOM 341 CD2 TYR A 54 -1.218 -9.807 5.405 1.00 40.24 C ATOM 342 CE1 TYR A 54 -1.891 -10.672 2.853 1.00 41.74 C ATOM 343 CE2 TYR A 54 -0.463 -9.395 4.301 1.00 41.88 C ATOM 344 CZ TYR A 54 -0.810 -9.831 3.029 1.00 42.06 C ATOM 345 OH TYR A 54 -0.097 -9.411 1.927 1.00 43.99 O ATOM 0 H TYR A 54 -5.070 -8.636 5.862 1.00 41.56 H new ATOM 0 HA TYR A 54 -4.912 -10.693 5.394 1.00 38.53 H new ATOM 0 HB2 TYR A 54 -2.774 -10.720 7.245 1.00 37.82 H new ATOM 0 HB3 TYR A 54 -3.206 -12.015 6.491 1.00 37.82 H new ATOM 0 HD1 TYR A 54 -3.360 -11.645 3.836 1.00 40.46 H new ATOM 0 HD2 TYR A 54 -0.984 -9.513 6.256 1.00 40.24 H new ATOM 0 HE1 TYR A 54 -2.121 -10.966 2.001 1.00 41.74 H new ATOM 0 HE2 TYR A 54 0.268 -8.832 4.419 1.00 41.88 H new ATOM 0 HH TYR A 54 0.529 -8.907 2.173 1.00 43.99 H new ATOM 346 N GLY A 55 -6.224 -10.384 8.089 1.00 34.85 N ATOM 347 CA GLY A 55 -7.192 -10.928 9.025 1.00 32.23 C ATOM 348 C GLY A 55 -8.306 -11.615 8.262 1.00 31.10 C ATOM 349 O GLY A 55 -8.618 -12.773 8.531 1.00 29.93 O ATOM 0 H GLY A 55 -6.126 -9.530 8.124 1.00 34.85 H new ATOM 0 HA2 GLY A 55 -6.760 -11.559 9.622 1.00 32.23 H new ATOM 0 HA3 GLY A 55 -7.556 -10.218 9.577 1.00 32.23 H new ATOM 350 N PRO A 56 -8.953 -10.923 7.311 1.00 31.60 N ATOM 351 CA PRO A 56 -10.019 -11.612 6.582 1.00 31.61 C ATOM 352 C PRO A 56 -9.502 -12.784 5.734 1.00 30.19 C ATOM 353 O PRO A 56 -10.229 -13.739 5.485 1.00 29.32 O ATOM 354 CB PRO A 56 -10.661 -10.495 5.752 1.00 32.14 C ATOM 355 CG PRO A 56 -9.609 -9.468 5.651 1.00 34.40 C ATOM 356 CD PRO A 56 -8.945 -9.486 6.996 1.00 32.91 C ATOM 0 HA PRO A 56 -10.658 -12.044 7.171 1.00 31.61 H new ATOM 0 HB2 PRO A 56 -10.930 -10.814 4.876 1.00 32.14 H new ATOM 0 HB3 PRO A 56 -11.457 -10.146 6.183 1.00 32.14 H new ATOM 0 HG2 PRO A 56 -8.979 -9.674 4.942 1.00 34.40 H new ATOM 0 HG3 PRO A 56 -9.984 -8.596 5.453 1.00 34.40 H new ATOM 0 HD2 PRO A 56 -8.045 -9.125 6.963 1.00 32.91 H new ATOM 0 HD3 PRO A 56 -9.436 -8.966 7.652 1.00 32.91 H new ATOM 357 N GLU A 57 -8.247 -12.715 5.300 1.00 28.42 N ATOM 358 CA GLU A 57 -7.679 -13.797 4.504 1.00 28.15 C ATOM 359 C GLU A 57 -7.482 -15.041 5.372 1.00 25.27 C ATOM 360 O GLU A 57 -7.820 -16.149 4.968 1.00 23.62 O ATOM 361 CB GLU A 57 -6.344 -13.373 3.885 1.00 29.32 C ATOM 362 CG GLU A 57 -6.479 -12.500 2.646 1.00 34.32 C ATOM 363 CD GLU A 57 -6.657 -11.024 2.958 1.00 37.06 C ATOM 364 OE1 GLU A 57 -6.879 -10.659 4.136 1.00 37.50 O ATOM 365 OE2 GLU A 57 -6.576 -10.222 2.005 1.00 39.65 O ATOM 0 H GLU A 57 -7.713 -12.058 5.453 1.00 28.42 H new ATOM 0 HA GLU A 57 -8.298 -14.005 3.786 1.00 28.15 H new ATOM 0 HB2 GLU A 57 -5.828 -12.893 4.552 1.00 29.32 H new ATOM 0 HB3 GLU A 57 -5.839 -14.168 3.654 1.00 29.32 H new ATOM 0 HG2 GLU A 57 -5.690 -12.613 2.093 1.00 34.32 H new ATOM 0 HG3 GLU A 57 -7.238 -12.806 2.125 1.00 34.32 H new ATOM 366 N ALA A 58 -6.946 -14.838 6.571 1.00 24.50 N ATOM 367 CA ALA A 58 -6.715 -15.924 7.516 1.00 24.52 C ATOM 368 C ALA A 58 -8.051 -16.548 7.922 1.00 25.41 C ATOM 369 O ALA A 58 -8.182 -17.771 7.967 1.00 24.08 O ATOM 370 CB ALA A 58 -5.967 -15.397 8.747 1.00 24.99 C ATOM 0 H ALA A 58 -6.706 -14.064 6.860 1.00 24.50 H new ATOM 0 HA ALA A 58 -6.169 -16.606 7.095 1.00 24.52 H new ATOM 0 HB1 ALA A 58 -5.817 -16.125 9.371 1.00 24.99 H new ATOM 0 HB2 ALA A 58 -5.114 -15.025 8.473 1.00 24.99 H new ATOM 0 HB3 ALA A 58 -6.496 -14.707 9.177 1.00 24.99 H new ATOM 371 N SER A 59 -9.047 -15.699 8.189 1.00 26.33 N ATOM 372 CA SER A 59 -10.383 -16.156 8.572 1.00 24.79 C ATOM 373 C SER A 59 -11.010 -17.014 7.499 1.00 24.58 C ATOM 374 O SER A 59 -11.568 -18.071 7.781 1.00 23.73 O ATOM 375 CB SER A 59 -11.323 -14.970 8.834 1.00 23.88 C ATOM 376 OG SER A 59 -11.106 -14.431 10.116 1.00 30.38 O ATOM 0 H SER A 59 -8.966 -14.844 8.153 1.00 26.33 H new ATOM 0 HA SER A 59 -10.268 -16.678 9.382 1.00 24.79 H new ATOM 0 HB2 SER A 59 -11.180 -14.285 8.162 1.00 23.88 H new ATOM 0 HB3 SER A 59 -12.245 -15.259 8.752 1.00 23.88 H new ATOM 0 HG SER A 59 -11.111 -15.049 10.685 1.00 30.38 H new ATOM 377 N ALA A 60 -10.938 -16.537 6.261 1.00 24.88 N ATOM 378 CA ALA A 60 -11.516 -17.265 5.140 1.00 25.56 C ATOM 379 C ALA A 60 -10.824 -18.611 4.955 1.00 24.05 C ATOM 380 O ALA A 60 -11.460 -19.626 4.676 1.00 25.28 O ATOM 381 CB ALA A 60 -11.390 -16.436 3.872 1.00 26.79 C ATOM 0 H ALA A 60 -10.559 -15.794 6.050 1.00 24.88 H new ATOM 0 HA ALA A 60 -12.454 -17.428 5.326 1.00 25.56 H new ATOM 0 HB1 ALA A 60 -11.776 -16.923 3.127 1.00 26.79 H new ATOM 0 HB2 ALA A 60 -11.861 -15.596 3.987 1.00 26.79 H new ATOM 0 HB3 ALA A 60 -10.453 -16.260 3.692 1.00 26.79 H new ATOM 382 N PHE A 61 -9.509 -18.603 5.107 1.00 23.48 N ATOM 383 CA PHE A 61 -8.716 -19.813 4.950 1.00 22.17 C ATOM 384 C PHE A 61 -9.194 -20.857 5.972 1.00 20.25 C ATOM 385 O PHE A 61 -9.593 -21.958 5.615 1.00 20.08 O ATOM 386 CB PHE A 61 -7.237 -19.472 5.164 1.00 22.68 C ATOM 387 CG PHE A 61 -6.306 -20.602 4.874 1.00 23.65 C ATOM 388 CD1 PHE A 61 -5.797 -20.789 3.593 1.00 25.90 C ATOM 389 CD2 PHE A 61 -5.934 -21.483 5.879 1.00 24.61 C ATOM 390 CE1 PHE A 61 -4.917 -21.843 3.312 1.00 25.76 C ATOM 391 CE2 PHE A 61 -5.054 -22.544 5.613 1.00 25.64 C ATOM 392 CZ PHE A 61 -4.545 -22.719 4.323 1.00 23.89 C ATOM 0 H PHE A 61 -9.052 -17.901 5.303 1.00 23.48 H new ATOM 0 HA PHE A 61 -8.823 -20.179 4.058 1.00 22.17 H new ATOM 0 HB2 PHE A 61 -7.003 -18.719 4.599 1.00 22.68 H new ATOM 0 HB3 PHE A 61 -7.110 -19.188 6.083 1.00 22.68 H new ATOM 0 HD1 PHE A 61 -6.044 -20.206 2.912 1.00 25.90 H new ATOM 0 HD2 PHE A 61 -6.271 -21.370 6.738 1.00 24.61 H new ATOM 0 HE1 PHE A 61 -4.583 -21.955 2.451 1.00 25.76 H new ATOM 0 HE2 PHE A 61 -4.810 -23.129 6.294 1.00 25.64 H new ATOM 0 HZ PHE A 61 -3.960 -23.419 4.143 1.00 23.89 H new ATOM 393 N THR A 62 -9.179 -20.491 7.245 1.00 21.60 N ATOM 394 CA THR A 62 -9.623 -21.404 8.298 1.00 21.84 C ATOM 395 C THR A 62 -11.064 -21.876 8.038 1.00 23.20 C ATOM 396 O THR A 62 -11.371 -23.064 8.145 1.00 21.79 O ATOM 397 CB THR A 62 -9.512 -20.695 9.660 1.00 22.19 C ATOM 398 OG1 THR A 62 -8.131 -20.369 9.898 1.00 23.06 O ATOM 399 CG2 THR A 62 -10.051 -21.569 10.793 1.00 19.66 C ATOM 0 H THR A 62 -8.917 -19.721 7.524 1.00 21.60 H new ATOM 0 HA THR A 62 -9.056 -22.191 8.302 1.00 21.84 H new ATOM 0 HB THR A 62 -10.049 -19.887 9.638 1.00 22.19 H new ATOM 0 HG1 THR A 62 -8.046 -20.060 10.675 1.00 23.06 H new ATOM 0 HG21 THR A 62 -9.967 -21.095 11.635 1.00 19.66 H new ATOM 0 HG22 THR A 62 -10.985 -21.773 10.629 1.00 19.66 H new ATOM 0 HG23 THR A 62 -9.543 -22.394 10.835 1.00 19.66 H new ATOM 400 N LYS A 63 -11.942 -20.938 7.689 1.00 25.22 N ATOM 401 CA LYS A 63 -13.349 -21.249 7.401 1.00 26.37 C ATOM 402 C LYS A 63 -13.464 -22.273 6.273 1.00 26.84 C ATOM 403 O LYS A 63 -14.090 -23.315 6.417 1.00 27.56 O ATOM 404 CB LYS A 63 -14.085 -19.966 6.998 1.00 27.94 C ATOM 405 CG LYS A 63 -15.554 -20.153 6.614 1.00 30.00 C ATOM 406 CD LYS A 63 -16.215 -18.796 6.406 1.00 34.48 C ATOM 407 CE LYS A 63 -17.738 -18.918 6.287 1.00 39.86 C ATOM 408 NZ LYS A 63 -18.157 -19.660 5.062 1.00 40.23 N ATOM 0 H LYS A 63 -11.743 -20.105 7.612 1.00 25.22 H new ATOM 0 HA LYS A 63 -13.749 -21.625 8.201 1.00 26.37 H new ATOM 0 HB2 LYS A 63 -14.035 -19.337 7.734 1.00 27.94 H new ATOM 0 HB3 LYS A 63 -13.618 -19.564 6.249 1.00 27.94 H new ATOM 0 HG2 LYS A 63 -15.619 -20.681 5.803 1.00 30.00 H new ATOM 0 HG3 LYS A 63 -16.018 -20.644 7.310 1.00 30.00 H new ATOM 0 HD2 LYS A 63 -15.994 -18.211 7.148 1.00 34.48 H new ATOM 0 HD3 LYS A 63 -15.860 -18.383 5.604 1.00 34.48 H new ATOM 0 HE2 LYS A 63 -18.086 -19.371 7.071 1.00 39.86 H new ATOM 0 HE3 LYS A 63 -18.131 -18.031 6.275 1.00 39.86 H new ATOM 0 HZ1 LYS A 63 -19.043 -19.745 5.055 1.00 40.23 H new ATOM 0 HZ2 LYS A 63 -17.897 -19.211 4.339 1.00 40.23 H new ATOM 0 HZ3 LYS A 63 -17.782 -20.467 5.061 1.00 40.23 H new ATOM 409 N LYS A 64 -12.847 -21.955 5.144 1.00 28.05 N ATOM 410 CA LYS A 64 -12.875 -22.817 3.970 1.00 30.60 C ATOM 411 C LYS A 64 -12.329 -24.216 4.251 1.00 29.45 C ATOM 412 O LYS A 64 -12.962 -25.220 3.927 1.00 30.50 O ATOM 413 CB LYS A 64 -12.071 -22.149 2.849 1.00 33.96 C ATOM 414 CG LYS A 64 -11.983 -22.920 1.552 1.00 40.61 C ATOM 415 CD LYS A 64 -11.207 -22.107 0.501 1.00 45.42 C ATOM 416 CE LYS A 64 -11.003 -22.886 -0.807 1.00 48.42 C ATOM 417 NZ LYS A 64 -10.253 -22.085 -1.824 1.00 48.88 N ATOM 0 H LYS A 64 -12.398 -21.230 5.036 1.00 28.05 H new ATOM 0 HA LYS A 64 -13.801 -22.932 3.704 1.00 30.60 H new ATOM 0 HB2 LYS A 64 -12.465 -21.282 2.664 1.00 33.96 H new ATOM 0 HB3 LYS A 64 -11.170 -21.988 3.172 1.00 33.96 H new ATOM 0 HG2 LYS A 64 -11.542 -23.770 1.703 1.00 40.61 H new ATOM 0 HG3 LYS A 64 -12.874 -23.117 1.224 1.00 40.61 H new ATOM 0 HD2 LYS A 64 -11.686 -21.285 0.314 1.00 45.42 H new ATOM 0 HD3 LYS A 64 -10.343 -21.856 0.863 1.00 45.42 H new ATOM 0 HE2 LYS A 64 -10.520 -23.707 -0.622 1.00 48.42 H new ATOM 0 HE3 LYS A 64 -11.866 -23.141 -1.169 1.00 48.42 H new ATOM 0 HZ1 LYS A 64 -10.153 -22.566 -2.566 1.00 48.88 H new ATOM 0 HZ2 LYS A 64 -10.707 -21.342 -2.011 1.00 48.88 H new ATOM 0 HZ3 LYS A 64 -9.452 -21.870 -1.501 1.00 48.88 H new ATOM 418 N MET A 65 -11.165 -24.280 4.879 1.00 27.79 N ATOM 419 CA MET A 65 -10.535 -25.562 5.171 1.00 27.21 C ATOM 420 C MET A 65 -11.398 -26.472 6.034 1.00 27.27 C ATOM 421 O MET A 65 -11.470 -27.675 5.795 1.00 26.25 O ATOM 422 CB MET A 65 -9.180 -25.328 5.839 1.00 28.19 C ATOM 423 CG MET A 65 -8.290 -26.542 5.845 1.00 29.47 C ATOM 424 SD MET A 65 -6.606 -26.152 6.339 1.00 28.40 S ATOM 425 CE MET A 65 -5.928 -27.816 6.480 1.00 25.91 C ATOM 0 H MET A 65 -10.721 -23.593 5.146 1.00 27.79 H new ATOM 0 HA MET A 65 -10.416 -26.020 4.324 1.00 27.21 H new ATOM 0 HB2 MET A 65 -8.724 -24.605 5.382 1.00 28.19 H new ATOM 0 HB3 MET A 65 -9.325 -25.039 6.753 1.00 28.19 H new ATOM 0 HG2 MET A 65 -8.657 -27.206 6.450 1.00 29.47 H new ATOM 0 HG3 MET A 65 -8.281 -26.938 4.960 1.00 29.47 H new ATOM 0 HE1 MET A 65 -4.997 -27.765 6.748 1.00 25.91 H new ATOM 0 HE2 MET A 65 -6.428 -28.314 7.145 1.00 25.91 H new ATOM 0 HE3 MET A 65 -5.993 -28.266 5.623 1.00 25.91 H new ATOM 426 N ASN A 66 -12.059 -25.905 7.040 1.00 26.92 N ATOM 427 CA ASN A 66 -12.907 -26.709 7.912 1.00 28.07 C ATOM 428 C ASN A 66 -14.262 -27.056 7.282 1.00 28.34 C ATOM 429 O ASN A 66 -14.746 -28.179 7.421 1.00 27.26 O ATOM 430 CB ASN A 66 -13.104 -25.987 9.252 1.00 29.64 C ATOM 431 CG ASN A 66 -11.882 -26.106 10.159 1.00 32.33 C ATOM 432 OD1 ASN A 66 -11.603 -27.181 10.692 1.00 35.88 O ATOM 433 ND2 ASN A 66 -11.134 -25.012 10.315 1.00 31.91 N ATOM 0 H ASN A 66 -12.031 -25.067 7.232 1.00 26.92 H new ATOM 0 HA ASN A 66 -12.451 -27.553 8.056 1.00 28.07 H new ATOM 0 HB2 ASN A 66 -13.292 -25.050 9.087 1.00 29.64 H new ATOM 0 HB3 ASN A 66 -13.878 -26.356 9.705 1.00 29.64 H new ATOM 0 HD21 ASN A 66 -10.426 -25.041 10.803 1.00 31.91 H new ATOM 0 HD22 ASN A 66 -11.359 -24.278 9.927 1.00 31.91 H new ATOM 434 N GLU A 67 -14.866 -26.095 6.586 1.00 28.85 N ATOM 435 CA GLU A 67 -16.167 -26.323 5.951 1.00 30.13 C ATOM 436 C GLU A 67 -16.150 -27.364 4.824 1.00 29.54 C ATOM 437 O GLU A 67 -17.104 -28.121 4.664 1.00 29.43 O ATOM 438 CB GLU A 67 -16.729 -24.996 5.436 1.00 31.06 C ATOM 439 CG GLU A 67 -17.313 -24.137 6.548 1.00 34.93 C ATOM 440 CD GLU A 67 -17.957 -22.851 6.049 1.00 38.27 C ATOM 441 OE1 GLU A 67 -18.710 -22.224 6.831 1.00 37.21 O ATOM 442 OE2 GLU A 67 -17.704 -22.465 4.887 1.00 39.96 O ATOM 0 H GLU A 67 -14.543 -25.307 6.469 1.00 28.85 H new ATOM 0 HA GLU A 67 -16.741 -26.694 6.639 1.00 30.13 H new ATOM 0 HB2 GLU A 67 -16.025 -24.503 4.987 1.00 31.06 H new ATOM 0 HB3 GLU A 67 -17.416 -25.174 4.775 1.00 31.06 H new ATOM 0 HG2 GLU A 67 -17.975 -24.655 7.033 1.00 34.93 H new ATOM 0 HG3 GLU A 67 -16.610 -23.915 7.178 1.00 34.93 H new ATOM 443 N ASN A 68 -15.060 -27.417 4.066 1.00 30.32 N ATOM 444 CA ASN A 68 -14.923 -28.360 2.954 1.00 31.88 C ATOM 445 C ASN A 68 -14.447 -29.765 3.339 1.00 31.53 C ATOM 446 O ASN A 68 -14.407 -30.652 2.489 1.00 31.68 O ATOM 447 CB ASN A 68 -13.953 -27.799 1.913 1.00 32.73 C ATOM 448 CG ASN A 68 -14.425 -26.486 1.316 1.00 37.32 C ATOM 449 OD1 ASN A 68 -13.613 -25.606 1.024 1.00 40.90 O ATOM 450 ND2 ASN A 68 -15.735 -26.351 1.115 1.00 36.63 N ATOM 0 H ASN A 68 -14.376 -26.908 4.180 1.00 30.32 H new ATOM 0 HA ASN A 68 -15.823 -28.459 2.605 1.00 31.88 H new ATOM 0 HB2 ASN A 68 -13.084 -27.669 2.324 1.00 32.73 H new ATOM 0 HB3 ASN A 68 -13.836 -28.449 1.203 1.00 32.73 H new ATOM 0 HD21 ASN A 68 -16.045 -25.627 0.768 1.00 36.63 H new ATOM 0 HD22 ASN A 68 -16.271 -26.988 1.332 1.00 36.63 H new ATOM 451 N ALA A 69 -14.092 -29.979 4.603 1.00 30.60 N ATOM 452 CA ALA A 69 -13.596 -31.294 5.027 1.00 30.92 C ATOM 453 C ALA A 69 -14.698 -32.291 5.365 1.00 30.14 C ATOM 454 O ALA A 69 -15.753 -31.912 5.863 1.00 32.21 O ATOM 455 CB ALA A 69 -12.650 -31.138 6.237 1.00 28.28 C ATOM 0 H ALA A 69 -14.128 -29.387 5.226 1.00 30.60 H new ATOM 0 HA ALA A 69 -13.119 -31.658 4.265 1.00 30.92 H new ATOM 0 HB1 ALA A 69 -12.327 -32.011 6.510 1.00 28.28 H new ATOM 0 HB2 ALA A 69 -11.897 -30.578 5.990 1.00 28.28 H new ATOM 0 HB3 ALA A 69 -13.130 -30.727 6.973 1.00 28.28 H new ATOM 456 N LYS A 70 -14.434 -33.567 5.101 1.00 29.61 N ATOM 457 CA LYS A 70 -15.384 -34.645 5.399 1.00 30.50 C ATOM 458 C LYS A 70 -15.226 -35.019 6.861 1.00 29.50 C ATOM 459 O LYS A 70 -16.189 -35.412 7.520 1.00 28.95 O ATOM 460 CB LYS A 70 -15.061 -35.910 4.597 1.00 31.28 C ATOM 461 CG LYS A 70 -14.842 -35.715 3.121 1.00 35.35 C ATOM 462 CD LYS A 70 -13.999 -36.867 2.533 1.00 36.78 C ATOM 463 CE LYS A 70 -14.680 -38.209 2.631 1.00 36.36 C ATOM 464 NZ LYS A 70 -13.934 -39.240 1.847 1.00 33.70 N ATOM 0 H LYS A 70 -13.699 -33.836 4.744 1.00 29.61 H new ATOM 0 HA LYS A 70 -16.276 -34.332 5.179 1.00 30.50 H new ATOM 0 HB2 LYS A 70 -14.265 -36.316 4.974 1.00 31.28 H new ATOM 0 HB3 LYS A 70 -15.786 -36.543 4.718 1.00 31.28 H new ATOM 0 HG2 LYS A 70 -15.698 -35.670 2.666 1.00 35.35 H new ATOM 0 HG3 LYS A 70 -14.394 -34.869 2.966 1.00 35.35 H new ATOM 0 HD2 LYS A 70 -13.805 -36.676 1.602 1.00 36.78 H new ATOM 0 HD3 LYS A 70 -13.148 -36.908 2.997 1.00 36.78 H new ATOM 0 HE2 LYS A 70 -14.736 -38.481 3.560 1.00 36.36 H new ATOM 0 HE3 LYS A 70 -15.589 -38.140 2.300 1.00 36.36 H new ATOM 0 HZ1 LYS A 70 -14.350 -40.024 1.916 1.00 33.70 H new ATOM 0 HZ2 LYS A 70 -13.901 -38.997 0.992 1.00 33.70 H new ATOM 0 HZ3 LYS A 70 -13.106 -39.314 2.166 1.00 33.70 H new ATOM 465 N LYS A 71 -13.986 -34.919 7.340 1.00 27.33 N ATOM 466 CA LYS A 71 -13.646 -35.279 8.709 1.00 28.04 C ATOM 467 C LYS A 71 -12.785 -34.229 9.409 1.00 25.67 C ATOM 468 O LYS A 71 -11.777 -33.774 8.874 1.00 28.11 O ATOM 469 CB LYS A 71 -12.893 -36.617 8.725 1.00 29.52 C ATOM 470 CG LYS A 71 -13.674 -37.799 8.163 1.00 33.80 C ATOM 471 CD LYS A 71 -12.776 -39.021 8.071 1.00 36.45 C ATOM 472 CE LYS A 71 -13.496 -40.235 7.496 1.00 39.01 C ATOM 473 NZ LYS A 71 -12.602 -41.432 7.469 1.00 40.42 N ATOM 0 H LYS A 71 -13.319 -34.639 6.876 1.00 27.33 H new ATOM 0 HA LYS A 71 -14.485 -35.344 9.191 1.00 28.04 H new ATOM 0 HB2 LYS A 71 -12.072 -36.518 8.217 1.00 29.52 H new ATOM 0 HB3 LYS A 71 -12.639 -36.819 9.639 1.00 29.52 H new ATOM 0 HG2 LYS A 71 -14.437 -37.991 8.731 1.00 33.80 H new ATOM 0 HG3 LYS A 71 -14.022 -37.578 7.285 1.00 33.80 H new ATOM 0 HD2 LYS A 71 -12.008 -38.813 7.517 1.00 36.45 H new ATOM 0 HD3 LYS A 71 -12.439 -39.238 8.954 1.00 36.45 H new ATOM 0 HE2 LYS A 71 -14.284 -40.429 8.028 1.00 39.01 H new ATOM 0 HE3 LYS A 71 -13.802 -40.037 6.597 1.00 39.01 H new ATOM 0 HZ1 LYS A 71 -13.045 -42.126 7.130 1.00 40.42 H new ATOM 0 HZ2 LYS A 71 -11.890 -41.259 6.964 1.00 40.42 H new ATOM 0 HZ3 LYS A 71 -12.338 -41.625 8.297 1.00 40.42 H new ATOM 474 N ILE A 72 -13.193 -33.861 10.612 1.00 23.58 N ATOM 475 CA ILE A 72 -12.472 -32.889 11.417 1.00 23.06 C ATOM 476 C ILE A 72 -12.053 -33.656 12.654 1.00 23.22 C ATOM 477 O ILE A 72 -12.840 -34.416 13.214 1.00 22.53 O ATOM 478 CB ILE A 72 -13.371 -31.727 11.881 1.00 22.32 C ATOM 479 CG1 ILE A 72 -13.919 -30.964 10.672 1.00 24.76 C ATOM 480 CG2 ILE A 72 -12.591 -30.800 12.824 1.00 21.52 C ATOM 481 CD1 ILE A 72 -12.897 -30.228 9.862 1.00 26.01 C ATOM 0 H ILE A 72 -13.902 -34.170 10.988 1.00 23.58 H new ATOM 0 HA ILE A 72 -11.743 -32.507 10.905 1.00 23.06 H new ATOM 0 HB ILE A 72 -14.127 -32.085 12.372 1.00 22.32 H new ATOM 0 HG12 ILE A 72 -14.378 -31.592 10.093 1.00 24.76 H new ATOM 0 HG13 ILE A 72 -14.582 -30.328 10.983 1.00 24.76 H new ATOM 0 HG21 ILE A 72 -13.165 -30.072 13.110 1.00 21.52 H new ATOM 0 HG22 ILE A 72 -12.295 -31.302 13.599 1.00 21.52 H new ATOM 0 HG23 ILE A 72 -11.820 -30.439 12.359 1.00 21.52 H new ATOM 0 HD11 ILE A 72 -13.333 -29.777 9.122 1.00 26.01 H new ATOM 0 HD12 ILE A 72 -12.451 -29.573 10.421 1.00 26.01 H new ATOM 0 HD13 ILE A 72 -12.243 -30.856 9.517 1.00 26.01 H new ATOM 482 N GLU A 73 -10.801 -33.496 13.046 1.00 20.25 N ATOM 483 CA GLU A 73 -10.309 -34.151 14.237 1.00 21.47 C ATOM 484 C GLU A 73 -9.576 -33.120 15.064 1.00 20.94 C ATOM 485 O GLU A 73 -8.973 -32.173 14.537 1.00 19.12 O ATOM 486 CB GLU A 73 -9.370 -35.300 13.888 1.00 23.18 C ATOM 487 CG GLU A 73 -10.049 -36.408 13.110 1.00 27.80 C ATOM 488 CD GLU A 73 -9.074 -37.469 12.687 1.00 32.93 C ATOM 489 OE1 GLU A 73 -9.206 -38.622 13.156 1.00 35.18 O ATOM 490 OE2 GLU A 73 -8.167 -37.136 11.895 1.00 34.36 O ATOM 0 H GLU A 73 -10.221 -33.012 12.635 1.00 20.25 H new ATOM 0 HA GLU A 73 -11.054 -34.525 14.733 1.00 21.47 H new ATOM 0 HB2 GLU A 73 -8.626 -34.956 13.368 1.00 23.18 H new ATOM 0 HB3 GLU A 73 -8.999 -35.667 14.706 1.00 23.18 H new ATOM 0 HG2 GLU A 73 -10.745 -36.807 13.655 1.00 27.80 H new ATOM 0 HG3 GLU A 73 -10.482 -36.035 12.326 1.00 27.80 H new ATOM 491 N VAL A 74 -9.655 -33.295 16.369 1.00 20.93 N ATOM 492 CA VAL A 74 -8.992 -32.390 17.264 1.00 22.63 C ATOM 493 C VAL A 74 -7.977 -33.211 18.025 1.00 22.46 C ATOM 494 O VAL A 74 -8.197 -34.378 18.348 1.00 23.88 O ATOM 495 CB VAL A 74 -9.994 -31.702 18.232 1.00 23.86 C ATOM 496 CG1 VAL A 74 -11.106 -31.039 17.424 1.00 23.15 C ATOM 497 CG2 VAL A 74 -10.556 -32.687 19.206 1.00 24.42 C ATOM 0 H VAL A 74 -10.088 -33.932 16.751 1.00 20.93 H new ATOM 0 HA VAL A 74 -8.565 -31.672 16.770 1.00 22.63 H new ATOM 0 HB VAL A 74 -9.526 -31.023 18.742 1.00 23.86 H new ATOM 0 HG11 VAL A 74 -11.732 -30.609 18.027 1.00 23.15 H new ATOM 0 HG12 VAL A 74 -10.723 -30.375 16.830 1.00 23.15 H new ATOM 0 HG13 VAL A 74 -11.571 -31.711 16.901 1.00 23.15 H new ATOM 0 HG21 VAL A 74 -11.178 -32.237 19.799 1.00 24.42 H new ATOM 0 HG22 VAL A 74 -11.020 -33.390 18.725 1.00 24.42 H new ATOM 0 HG23 VAL A 74 -9.835 -33.074 19.727 1.00 24.42 H new ATOM 498 N GLU A 75 -6.851 -32.587 18.285 1.00 20.35 N ATOM 499 CA GLU A 75 -5.774 -33.231 18.995 1.00 19.96 C ATOM 500 C GLU A 75 -5.266 -32.298 20.096 1.00 18.49 C ATOM 501 O GLU A 75 -4.700 -31.238 19.818 1.00 17.19 O ATOM 502 CB GLU A 75 -4.661 -33.553 17.998 1.00 19.84 C ATOM 503 CG GLU A 75 -3.364 -34.026 18.601 1.00 23.52 C ATOM 504 CD GLU A 75 -2.361 -34.343 17.529 1.00 22.68 C ATOM 505 OE1 GLU A 75 -2.114 -35.538 17.282 1.00 24.92 O ATOM 506 OE2 GLU A 75 -1.842 -33.394 16.913 1.00 24.57 O ATOM 0 H GLU A 75 -6.688 -31.775 18.054 1.00 20.35 H new ATOM 0 HA GLU A 75 -6.079 -34.054 19.409 1.00 19.96 H new ATOM 0 HB2 GLU A 75 -4.983 -34.235 17.387 1.00 19.84 H new ATOM 0 HB3 GLU A 75 -4.483 -32.760 17.469 1.00 19.84 H new ATOM 0 HG2 GLU A 75 -3.008 -33.343 19.190 1.00 23.52 H new ATOM 0 HG3 GLU A 75 -3.523 -34.814 19.144 1.00 23.52 H new ATOM 507 N PHE A 76 -5.509 -32.678 21.341 1.00 18.01 N ATOM 508 CA PHE A 76 -5.023 -31.884 22.460 1.00 20.10 C ATOM 509 C PHE A 76 -3.536 -32.181 22.653 1.00 21.12 C ATOM 510 O PHE A 76 -3.071 -33.273 22.329 1.00 21.55 O ATOM 511 CB PHE A 76 -5.788 -32.229 23.741 1.00 21.03 C ATOM 512 CG PHE A 76 -7.173 -31.656 23.794 1.00 20.94 C ATOM 513 CD1 PHE A 76 -8.276 -32.420 23.407 1.00 22.24 C ATOM 514 CD2 PHE A 76 -7.376 -30.352 24.235 1.00 21.93 C ATOM 515 CE1 PHE A 76 -9.567 -31.894 23.463 1.00 20.45 C ATOM 516 CE2 PHE A 76 -8.666 -29.812 24.295 1.00 22.25 C ATOM 517 CZ PHE A 76 -9.762 -30.589 23.909 1.00 21.28 C ATOM 0 H PHE A 76 -5.948 -33.384 21.559 1.00 18.01 H new ATOM 0 HA PHE A 76 -5.159 -30.942 22.271 1.00 20.10 H new ATOM 0 HB2 PHE A 76 -5.843 -33.194 23.824 1.00 21.03 H new ATOM 0 HB3 PHE A 76 -5.285 -31.907 24.505 1.00 21.03 H new ATOM 0 HD1 PHE A 76 -8.148 -33.291 23.108 1.00 22.24 H new ATOM 0 HD2 PHE A 76 -6.648 -29.834 24.492 1.00 21.93 H new ATOM 0 HE1 PHE A 76 -10.294 -32.412 23.204 1.00 20.45 H new ATOM 0 HE2 PHE A 76 -8.793 -28.939 24.591 1.00 22.25 H new ATOM 0 HZ PHE A 76 -10.621 -30.235 23.950 1.00 21.28 H new ATOM 518 N ASP A 77 -2.784 -31.211 23.164 1.00 21.42 N ATOM 519 CA ASP A 77 -1.364 -31.439 23.382 1.00 21.42 C ATOM 520 C ASP A 77 -1.263 -31.962 24.813 1.00 23.92 C ATOM 521 O ASP A 77 -2.292 -32.255 25.435 1.00 23.54 O ATOM 522 CB ASP A 77 -0.560 -30.144 23.211 1.00 20.55 C ATOM 523 CG ASP A 77 0.903 -30.406 22.802 1.00 21.79 C ATOM 524 OD1 ASP A 77 1.498 -31.402 23.269 1.00 18.70 O ATOM 525 OD2 ASP A 77 1.460 -29.611 22.025 1.00 17.55 O ATOM 0 H ASP A 77 -3.070 -30.431 23.386 1.00 21.42 H new ATOM 0 HA ASP A 77 -0.997 -32.066 22.739 1.00 21.42 H new ATOM 0 HB2 ASP A 77 -0.986 -29.589 22.539 1.00 20.55 H new ATOM 0 HB3 ASP A 77 -0.576 -29.645 24.043 1.00 20.55 H new ATOM 526 N LYS A 78 -0.047 -32.057 25.340 1.00 23.37 N ATOM 527 CA LYS A 78 0.173 -32.583 26.687 1.00 26.55 C ATOM 528 C LYS A 78 0.156 -31.530 27.796 1.00 26.87 C ATOM 529 O LYS A 78 0.327 -31.868 28.970 1.00 28.28 O ATOM 530 CB LYS A 78 1.499 -33.352 26.724 1.00 29.04 C ATOM 531 CG LYS A 78 2.675 -32.510 26.290 1.00 33.93 C ATOM 532 CD LYS A 78 3.930 -33.340 26.046 1.00 39.45 C ATOM 533 CE LYS A 78 5.044 -32.449 25.510 1.00 41.60 C ATOM 534 NZ LYS A 78 5.262 -31.287 26.421 1.00 43.11 N ATOM 0 H LYS A 78 0.672 -31.820 24.931 1.00 23.37 H new ATOM 0 HA LYS A 78 -0.579 -33.167 26.871 1.00 26.55 H new ATOM 0 HB2 LYS A 78 1.654 -33.678 27.624 1.00 29.04 H new ATOM 0 HB3 LYS A 78 1.433 -34.130 26.148 1.00 29.04 H new ATOM 0 HG2 LYS A 78 2.444 -32.032 25.478 1.00 33.93 H new ATOM 0 HG3 LYS A 78 2.859 -31.843 26.969 1.00 33.93 H new ATOM 0 HD2 LYS A 78 4.213 -33.764 26.871 1.00 39.45 H new ATOM 0 HD3 LYS A 78 3.740 -34.050 25.413 1.00 39.45 H new ATOM 0 HE2 LYS A 78 5.864 -32.961 25.426 1.00 41.60 H new ATOM 0 HE3 LYS A 78 4.815 -32.133 24.622 1.00 41.60 H new ATOM 0 HZ1 LYS A 78 6.052 -30.917 26.247 1.00 43.11 H new ATOM 0 HZ2 LYS A 78 4.619 -30.685 26.294 1.00 43.11 H new ATOM 0 HZ3 LYS A 78 5.245 -31.565 27.266 1.00 43.11 H new ATOM 535 N GLY A 79 -0.036 -30.265 27.429 1.00 23.97 N ATOM 536 CA GLY A 79 -0.102 -29.214 28.428 1.00 23.82 C ATOM 537 C GLY A 79 -1.545 -28.868 28.803 1.00 24.43 C ATOM 538 O GLY A 79 -2.452 -29.687 28.625 1.00 22.43 O ATOM 0 H GLY A 79 -0.129 -30.001 26.616 1.00 23.97 H new ATOM 0 HA2 GLY A 79 0.379 -29.493 29.222 1.00 23.82 H new ATOM 0 HA3 GLY A 79 0.343 -28.421 28.091 1.00 23.82 H new ATOM 539 N GLN A 80 -1.769 -27.662 29.325 1.00 22.62 N ATOM 540 CA GLN A 80 -3.118 -27.247 29.699 1.00 23.05 C ATOM 541 C GLN A 80 -4.024 -27.312 28.466 1.00 22.64 C ATOM 542 O GLN A 80 -3.623 -26.910 27.374 1.00 19.36 O ATOM 543 CB GLN A 80 -3.068 -25.854 30.315 1.00 25.25 C ATOM 544 CG GLN A 80 -2.237 -25.901 31.583 1.00 29.06 C ATOM 545 CD GLN A 80 -2.133 -24.591 32.313 1.00 31.85 C ATOM 546 OE1 GLN A 80 -3.001 -23.642 31.974 1.00 33.87 O flip ATOM 547 NE2 GLN A 80 -1.277 -24.437 33.198 1.00 29.65 N flip ATOM 0 H GLN A 80 -1.158 -27.074 29.469 1.00 22.62 H new ATOM 0 HA GLN A 80 -3.489 -27.844 30.367 1.00 23.05 H new ATOM 0 HB2 GLN A 80 -2.683 -25.224 29.686 1.00 25.25 H new ATOM 0 HB3 GLN A 80 -3.965 -25.544 30.514 1.00 25.25 H new ATOM 0 HG2 GLN A 80 -2.619 -26.562 32.182 1.00 29.06 H new ATOM 0 HG3 GLN A 80 -1.343 -26.205 31.359 1.00 29.06 H new ATOM 0 HE21 GLN A 80 -0.734 -25.077 33.387 1.00 29.65 H new ATOM 0 HE22 GLN A 80 -1.227 -23.691 33.622 1.00 29.65 H new ATOM 548 N ARG A 81 -5.232 -27.839 28.645 1.00 21.97 N ATOM 549 CA ARG A 81 -6.147 -28.040 27.523 1.00 24.53 C ATOM 550 C ARG A 81 -7.154 -26.923 27.231 1.00 23.41 C ATOM 551 O ARG A 81 -7.857 -26.984 26.222 1.00 22.30 O ATOM 552 CB ARG A 81 -6.913 -29.365 27.704 1.00 26.32 C ATOM 553 CG ARG A 81 -6.065 -30.568 28.150 1.00 31.58 C ATOM 554 CD ARG A 81 -5.212 -31.123 27.043 1.00 36.88 C ATOM 555 NE ARG A 81 -4.206 -32.117 27.466 1.00 39.01 N ATOM 556 CZ ARG A 81 -4.460 -33.336 27.936 1.00 40.91 C ATOM 557 NH1 ARG A 81 -5.701 -33.765 28.081 1.00 42.89 N ATOM 558 NH2 ARG A 81 -3.455 -34.154 28.226 1.00 44.32 N ATOM 0 H ARG A 81 -5.542 -28.087 29.408 1.00 21.97 H new ATOM 0 HA ARG A 81 -5.560 -28.048 26.751 1.00 24.53 H new ATOM 0 HB2 ARG A 81 -7.617 -29.226 28.357 1.00 26.32 H new ATOM 0 HB3 ARG A 81 -7.345 -29.588 26.864 1.00 26.32 H new ATOM 0 HG2 ARG A 81 -5.496 -30.301 28.888 1.00 31.58 H new ATOM 0 HG3 ARG A 81 -6.651 -31.266 28.482 1.00 31.58 H new ATOM 0 HD2 ARG A 81 -5.791 -31.531 26.381 1.00 36.88 H new ATOM 0 HD3 ARG A 81 -4.755 -30.387 26.605 1.00 36.88 H new ATOM 0 HE ARG A 81 -3.380 -31.887 27.403 1.00 39.01 H new ATOM 0 HH11 ARG A 81 -6.360 -33.254 27.870 1.00 42.89 H new ATOM 0 HH12 ARG A 81 -5.850 -34.555 28.386 1.00 42.89 H new ATOM 0 HH21 ARG A 81 -2.643 -33.896 28.110 1.00 44.32 H new ATOM 0 HH22 ARG A 81 -3.616 -34.942 28.530 1.00 44.32 H new ATOM 559 N THR A 82 -7.251 -25.930 28.110 1.00 22.19 N ATOM 560 CA THR A 82 -8.181 -24.817 27.885 1.00 22.48 C ATOM 561 C THR A 82 -7.543 -23.530 28.383 1.00 21.94 C ATOM 562 O THR A 82 -6.751 -23.562 29.327 1.00 20.19 O ATOM 563 CB THR A 82 -9.519 -24.995 28.658 1.00 23.73 C ATOM 564 OG1 THR A 82 -9.253 -25.015 30.058 1.00 27.70 O ATOM 565 CG2 THR A 82 -10.205 -26.284 28.279 1.00 22.75 C ATOM 0 H THR A 82 -6.794 -25.878 28.837 1.00 22.19 H new ATOM 0 HA THR A 82 -8.369 -24.791 26.934 1.00 22.48 H new ATOM 0 HB THR A 82 -10.101 -24.254 28.428 1.00 23.73 H new ATOM 0 HG1 THR A 82 -9.974 -25.110 30.479 1.00 27.70 H new ATOM 0 HG21 THR A 82 -11.034 -26.368 28.775 1.00 22.75 H new ATOM 0 HG22 THR A 82 -10.397 -26.281 27.328 1.00 22.75 H new ATOM 0 HG23 THR A 82 -9.626 -27.033 28.489 1.00 22.75 H new ATOM 566 N ASP A 83 -7.864 -22.406 27.752 1.00 21.26 N ATOM 567 CA ASP A 83 -7.310 -21.136 28.217 1.00 22.97 C ATOM 568 C ASP A 83 -8.253 -20.497 29.233 1.00 23.15 C ATOM 569 O ASP A 83 -9.262 -21.097 29.603 1.00 23.69 O ATOM 570 CB ASP A 83 -7.024 -20.174 27.052 1.00 22.24 C ATOM 571 CG ASP A 83 -8.270 -19.747 26.290 1.00 21.25 C ATOM 572 OD1 ASP A 83 -9.419 -19.965 26.735 1.00 19.54 O ATOM 573 OD2 ASP A 83 -8.075 -19.166 25.212 1.00 23.37 O ATOM 0 H ASP A 83 -8.386 -22.354 27.071 1.00 21.26 H new ATOM 0 HA ASP A 83 -6.460 -21.320 28.647 1.00 22.97 H new ATOM 0 HB2 ASP A 83 -6.579 -19.384 27.397 1.00 22.24 H new ATOM 0 HB3 ASP A 83 -6.408 -20.600 26.436 1.00 22.24 H new ATOM 574 N LYS A 84 -7.923 -19.286 29.678 1.00 25.48 N ATOM 575 CA LYS A 84 -8.722 -18.577 30.677 1.00 26.28 C ATOM 576 C LYS A 84 -10.123 -18.209 30.209 1.00 24.97 C ATOM 577 O LYS A 84 -11.016 -18.015 31.027 1.00 24.59 O ATOM 578 CB LYS A 84 -7.978 -17.320 31.154 1.00 28.91 C ATOM 579 CG LYS A 84 -7.576 -16.352 30.038 1.00 33.45 C ATOM 580 CD LYS A 84 -6.654 -15.245 30.548 1.00 36.35 C ATOM 581 CE LYS A 84 -6.279 -14.300 29.399 1.00 41.07 C ATOM 582 NZ LYS A 84 -5.144 -13.377 29.682 1.00 42.70 N ATOM 0 H LYS A 84 -7.230 -18.852 29.410 1.00 25.48 H new ATOM 0 HA LYS A 84 -8.841 -19.199 31.412 1.00 26.28 H new ATOM 0 HB2 LYS A 84 -8.540 -16.848 31.788 1.00 28.91 H new ATOM 0 HB3 LYS A 84 -7.179 -17.594 31.631 1.00 28.91 H new ATOM 0 HG2 LYS A 84 -7.130 -16.843 29.330 1.00 33.45 H new ATOM 0 HG3 LYS A 84 -8.373 -15.956 29.651 1.00 33.45 H new ATOM 0 HD2 LYS A 84 -7.094 -14.748 31.255 1.00 36.35 H new ATOM 0 HD3 LYS A 84 -5.852 -15.633 30.932 1.00 36.35 H new ATOM 0 HE2 LYS A 84 -6.057 -14.833 28.620 1.00 41.07 H new ATOM 0 HE3 LYS A 84 -7.058 -13.770 29.167 1.00 41.07 H new ATOM 0 HZ1 LYS A 84 -4.992 -12.866 28.969 1.00 42.70 H new ATOM 0 HZ2 LYS A 84 -5.347 -12.861 30.378 1.00 42.70 H new ATOM 0 HZ3 LYS A 84 -4.414 -13.852 29.868 1.00 42.70 H new ATOM 583 N TYR A 85 -10.321 -18.122 28.898 1.00 24.63 N ATOM 584 CA TYR A 85 -11.642 -17.799 28.351 1.00 23.47 C ATOM 585 C TYR A 85 -12.491 -19.035 28.087 1.00 22.80 C ATOM 586 O TYR A 85 -13.560 -18.940 27.488 1.00 22.17 O ATOM 587 CB TYR A 85 -11.511 -16.986 27.063 1.00 24.40 C ATOM 588 CG TYR A 85 -10.789 -15.689 27.275 1.00 28.45 C ATOM 589 CD1 TYR A 85 -9.434 -15.577 26.986 1.00 30.72 C ATOM 590 CD2 TYR A 85 -11.449 -14.580 27.821 1.00 30.92 C ATOM 591 CE1 TYR A 85 -8.741 -14.404 27.235 1.00 32.45 C ATOM 592 CE2 TYR A 85 -10.764 -13.390 28.076 1.00 31.43 C ATOM 593 CZ TYR A 85 -9.408 -13.312 27.782 1.00 34.52 C ATOM 594 OH TYR A 85 -8.703 -12.158 28.039 1.00 36.34 O ATOM 0 H TYR A 85 -9.708 -18.245 28.307 1.00 24.63 H new ATOM 0 HA TYR A 85 -12.094 -17.272 29.028 1.00 23.47 H new ATOM 0 HB2 TYR A 85 -11.038 -17.511 26.399 1.00 24.40 H new ATOM 0 HB3 TYR A 85 -12.395 -16.806 26.706 1.00 24.40 H new ATOM 0 HD1 TYR A 85 -8.984 -16.303 26.619 1.00 30.72 H new ATOM 0 HD2 TYR A 85 -12.356 -14.637 28.016 1.00 30.92 H new ATOM 0 HE1 TYR A 85 -7.834 -14.346 27.038 1.00 32.45 H new ATOM 0 HE2 TYR A 85 -11.210 -12.659 28.438 1.00 31.43 H new ATOM 0 HH TYR A 85 -9.219 -11.581 28.364 1.00 36.34 H new ATOM 595 N GLY A 86 -12.007 -20.200 28.522 1.00 21.68 N ATOM 596 CA GLY A 86 -12.762 -21.429 28.336 1.00 19.72 C ATOM 597 C GLY A 86 -12.660 -22.090 26.968 1.00 20.18 C ATOM 598 O GLY A 86 -13.431 -22.997 26.661 1.00 19.93 O ATOM 0 H GLY A 86 -11.252 -20.295 28.922 1.00 21.68 H new ATOM 0 HA2 GLY A 86 -12.470 -22.068 29.004 1.00 19.72 H new ATOM 0 HA3 GLY A 86 -13.697 -21.240 28.513 1.00 19.72 H new ATOM 599 N ARG A 87 -11.729 -21.636 26.130 1.00 18.81 N ATOM 600 CA ARG A 87 -11.552 -22.239 24.811 1.00 18.38 C ATOM 601 C ARG A 87 -10.576 -23.430 24.890 1.00 18.83 C ATOM 602 O ARG A 87 -9.573 -23.357 25.589 1.00 18.05 O ATOM 603 CB ARG A 87 -10.994 -21.207 23.826 1.00 16.62 C ATOM 604 CG ARG A 87 -11.825 -19.926 23.740 1.00 18.03 C ATOM 605 CD ARG A 87 -11.200 -18.928 22.778 1.00 20.78 C ATOM 606 NE ARG A 87 -9.948 -18.349 23.269 1.00 23.55 N ATOM 607 CZ ARG A 87 -9.208 -17.477 22.574 1.00 27.01 C ATOM 608 NH1 ARG A 87 -9.592 -17.085 21.355 1.00 26.39 N ATOM 609 NH2 ARG A 87 -8.085 -16.992 23.091 1.00 23.62 N ATOM 0 H ARG A 87 -11.194 -20.985 26.304 1.00 18.81 H new ATOM 0 HA ARG A 87 -12.418 -22.549 24.504 1.00 18.38 H new ATOM 0 HB2 ARG A 87 -10.088 -20.978 24.088 1.00 16.62 H new ATOM 0 HB3 ARG A 87 -10.941 -21.609 22.945 1.00 16.62 H new ATOM 0 HG2 ARG A 87 -12.725 -20.140 23.448 1.00 18.03 H new ATOM 0 HG3 ARG A 87 -11.900 -19.527 24.621 1.00 18.03 H new ATOM 0 HD2 ARG A 87 -11.034 -19.368 21.930 1.00 20.78 H new ATOM 0 HD3 ARG A 87 -11.834 -18.214 22.608 1.00 20.78 H new ATOM 0 HE ARG A 87 -9.672 -18.583 24.049 1.00 23.55 H new ATOM 0 HH11 ARG A 87 -10.318 -17.393 21.013 1.00 26.39 H new ATOM 0 HH12 ARG A 87 -9.113 -16.524 20.913 1.00 26.39 H new ATOM 0 HH21 ARG A 87 -7.831 -17.238 23.875 1.00 23.62 H new ATOM 0 HH22 ARG A 87 -7.612 -16.432 22.642 1.00 23.62 H new ATOM 610 N GLY A 88 -10.884 -24.508 24.171 1.00 17.88 N ATOM 611 CA GLY A 88 -10.008 -25.669 24.141 1.00 18.32 C ATOM 612 C GLY A 88 -8.777 -25.306 23.317 1.00 18.16 C ATOM 613 O GLY A 88 -8.877 -24.593 22.330 1.00 18.54 O ATOM 0 H GLY A 88 -11.596 -24.584 23.695 1.00 17.88 H new ATOM 0 HA2 GLY A 88 -9.751 -25.924 25.041 1.00 18.32 H new ATOM 0 HA3 GLY A 88 -10.466 -26.430 23.750 1.00 18.32 H new ATOM 614 N LEU A 89 -7.611 -25.775 23.734 1.00 18.57 N ATOM 615 CA LEU A 89 -6.363 -25.472 23.038 1.00 17.21 C ATOM 616 C LEU A 89 -5.954 -26.751 22.321 1.00 17.76 C ATOM 617 O LEU A 89 -5.618 -27.744 22.952 1.00 17.27 O ATOM 618 CB LEU A 89 -5.293 -25.042 24.055 1.00 18.77 C ATOM 619 CG LEU A 89 -5.623 -23.781 24.884 1.00 19.51 C ATOM 620 CD1 LEU A 89 -4.552 -23.554 25.985 1.00 21.99 C ATOM 621 CD2 LEU A 89 -5.677 -22.580 23.976 1.00 20.05 C ATOM 0 H LEU A 89 -7.517 -26.277 24.426 1.00 18.57 H new ATOM 0 HA LEU A 89 -6.468 -24.744 22.406 1.00 17.21 H new ATOM 0 HB2 LEU A 89 -5.137 -25.779 24.666 1.00 18.77 H new ATOM 0 HB3 LEU A 89 -4.462 -24.887 23.579 1.00 18.77 H new ATOM 0 HG LEU A 89 -6.485 -23.907 25.311 1.00 19.51 H new ATOM 0 HD11 LEU A 89 -4.775 -22.759 26.495 1.00 21.99 H new ATOM 0 HD12 LEU A 89 -4.529 -24.322 26.577 1.00 21.99 H new ATOM 0 HD13 LEU A 89 -3.682 -23.439 25.572 1.00 21.99 H new ATOM 0 HD21 LEU A 89 -5.884 -21.789 24.498 1.00 20.05 H new ATOM 0 HD22 LEU A 89 -4.818 -22.464 23.541 1.00 20.05 H new ATOM 0 HD23 LEU A 89 -6.364 -22.713 23.304 1.00 20.05 H new ATOM 622 N ALA A 90 -5.969 -26.723 20.993 1.00 18.53 N ATOM 623 CA ALA A 90 -5.658 -27.931 20.247 1.00 16.90 C ATOM 624 C ALA A 90 -5.169 -27.701 18.848 1.00 15.74 C ATOM 625 O ALA A 90 -5.166 -26.584 18.342 1.00 15.28 O ATOM 626 CB ALA A 90 -6.895 -28.800 20.184 1.00 18.09 C ATOM 0 H ALA A 90 -6.152 -26.031 20.516 1.00 18.53 H new ATOM 0 HA ALA A 90 -4.928 -28.355 20.724 1.00 16.90 H new ATOM 0 HB1 ALA A 90 -6.697 -29.609 19.687 1.00 18.09 H new ATOM 0 HB2 ALA A 90 -7.173 -29.033 21.084 1.00 18.09 H new ATOM 0 HB3 ALA A 90 -7.609 -28.316 19.740 1.00 18.09 H new ATOM 627 N TYR A 91 -4.727 -28.797 18.251 1.00 14.83 N ATOM 628 CA TYR A 91 -4.302 -28.836 16.871 1.00 15.27 C ATOM 629 C TYR A 91 -5.581 -29.371 16.209 1.00 16.05 C ATOM 630 O TYR A 91 -6.215 -30.304 16.716 1.00 14.80 O ATOM 631 CB TYR A 91 -3.160 -29.832 16.694 1.00 16.42 C ATOM 632 CG TYR A 91 -1.937 -29.492 17.510 1.00 19.64 C ATOM 633 CD1 TYR A 91 -1.099 -28.435 17.140 1.00 19.22 C ATOM 634 CD2 TYR A 91 -1.613 -30.223 18.648 1.00 20.04 C ATOM 635 CE1 TYR A 91 0.027 -28.120 17.879 1.00 20.89 C ATOM 636 CE2 TYR A 91 -0.483 -29.913 19.399 1.00 22.29 C ATOM 637 CZ TYR A 91 0.330 -28.859 19.004 1.00 20.86 C ATOM 638 OH TYR A 91 1.443 -28.549 19.727 1.00 24.28 O ATOM 0 H TYR A 91 -4.666 -29.556 18.651 1.00 14.83 H new ATOM 0 HA TYR A 91 -3.975 -27.994 16.518 1.00 15.27 H new ATOM 0 HB2 TYR A 91 -3.470 -30.717 16.942 1.00 16.42 H new ATOM 0 HB3 TYR A 91 -2.915 -29.870 15.756 1.00 16.42 H new ATOM 0 HD1 TYR A 91 -1.303 -27.935 16.383 1.00 19.22 H new ATOM 0 HD2 TYR A 91 -2.159 -30.929 18.911 1.00 20.04 H new ATOM 0 HE1 TYR A 91 0.576 -27.415 17.620 1.00 20.89 H new ATOM 0 HE2 TYR A 91 -0.274 -30.407 20.159 1.00 22.29 H new ATOM 0 HH TYR A 91 1.411 -28.937 20.471 1.00 24.28 H new ATOM 639 N ILE A 92 -5.993 -28.748 15.116 1.00 17.31 N ATOM 640 CA ILE A 92 -7.193 -29.184 14.422 1.00 16.94 C ATOM 641 C ILE A 92 -6.741 -29.773 13.085 1.00 15.83 C ATOM 642 O ILE A 92 -5.879 -29.203 12.425 1.00 15.99 O ATOM 643 CB ILE A 92 -8.137 -28.002 14.114 1.00 17.85 C ATOM 644 CG1 ILE A 92 -8.438 -27.194 15.387 1.00 21.76 C ATOM 645 CG2 ILE A 92 -9.396 -28.519 13.441 1.00 15.90 C ATOM 646 CD1 ILE A 92 -9.288 -27.864 16.416 1.00 19.54 C ATOM 0 H ILE A 92 -5.594 -28.074 14.761 1.00 17.31 H new ATOM 0 HA ILE A 92 -7.669 -29.820 14.979 1.00 16.94 H new ATOM 0 HB ILE A 92 -7.702 -27.391 13.499 1.00 17.85 H new ATOM 0 HG12 ILE A 92 -7.594 -26.953 15.800 1.00 21.76 H new ATOM 0 HG13 ILE A 92 -8.872 -26.367 15.126 1.00 21.76 H new ATOM 0 HG21 ILE A 92 -9.989 -27.776 13.248 1.00 15.90 H new ATOM 0 HG22 ILE A 92 -9.160 -28.967 12.614 1.00 15.90 H new ATOM 0 HG23 ILE A 92 -9.845 -29.145 14.031 1.00 15.90 H new ATOM 0 HD11 ILE A 92 -9.413 -27.268 17.171 1.00 19.54 H new ATOM 0 HD12 ILE A 92 -10.151 -28.082 16.031 1.00 19.54 H new ATOM 0 HD13 ILE A 92 -8.853 -28.678 16.716 1.00 19.54 H new ATOM 647 N TYR A 93 -7.332 -30.906 12.709 1.00 14.53 N ATOM 648 CA TYR A 93 -7.026 -31.569 11.451 1.00 17.03 C ATOM 649 C TYR A 93 -8.273 -31.597 10.581 1.00 17.36 C ATOM 650 O TYR A 93 -9.363 -31.912 11.053 1.00 17.86 O ATOM 651 CB TYR A 93 -6.548 -33.009 11.692 1.00 16.68 C ATOM 652 CG TYR A 93 -5.221 -33.101 12.389 1.00 16.14 C ATOM 653 CD1 TYR A 93 -4.039 -33.268 11.666 1.00 18.44 C ATOM 654 CD2 TYR A 93 -5.136 -32.988 13.773 1.00 19.23 C ATOM 655 CE1 TYR A 93 -2.803 -33.317 12.308 1.00 18.61 C ATOM 656 CE2 TYR A 93 -3.904 -33.034 14.429 1.00 17.72 C ATOM 657 CZ TYR A 93 -2.743 -33.199 13.690 1.00 19.19 C ATOM 658 OH TYR A 93 -1.534 -33.250 14.338 1.00 19.65 O ATOM 0 H TYR A 93 -7.925 -31.311 13.182 1.00 14.53 H new ATOM 0 HA TYR A 93 -6.317 -31.076 11.008 1.00 17.03 H new ATOM 0 HB2 TYR A 93 -7.214 -33.477 12.220 1.00 16.68 H new ATOM 0 HB3 TYR A 93 -6.488 -33.467 10.839 1.00 16.68 H new ATOM 0 HD1 TYR A 93 -4.077 -33.348 10.740 1.00 18.44 H new ATOM 0 HD2 TYR A 93 -5.914 -32.880 14.271 1.00 19.23 H new ATOM 0 HE1 TYR A 93 -2.023 -33.428 11.814 1.00 18.61 H new ATOM 0 HE2 TYR A 93 -3.863 -32.955 15.355 1.00 17.72 H new ATOM 0 HH TYR A 93 -1.658 -33.206 15.168 1.00 19.65 H new ATOM 659 N ALA A 94 -8.103 -31.237 9.316 1.00 16.58 N ATOM 660 CA ALA A 94 -9.204 -31.250 8.362 1.00 20.38 C ATOM 661 C ALA A 94 -8.744 -32.281 7.341 1.00 21.39 C ATOM 662 O ALA A 94 -7.755 -32.060 6.645 1.00 21.35 O ATOM 663 CB ALA A 94 -9.377 -29.883 7.717 1.00 15.85 C ATOM 0 H ALA A 94 -7.351 -30.980 8.987 1.00 16.58 H new ATOM 0 HA ALA A 94 -10.063 -31.459 8.762 1.00 20.38 H new ATOM 0 HB1 ALA A 94 -10.114 -29.913 7.087 1.00 15.85 H new ATOM 0 HB2 ALA A 94 -9.566 -29.223 8.402 1.00 15.85 H new ATOM 0 HB3 ALA A 94 -8.562 -29.640 7.250 1.00 15.85 H new ATOM 664 N ASP A 95 -9.448 -33.416 7.299 1.00 21.75 N ATOM 665 CA ASP A 95 -9.124 -34.517 6.396 1.00 23.34 C ATOM 666 C ASP A 95 -7.654 -34.910 6.535 1.00 23.33 C ATOM 667 O ASP A 95 -6.942 -35.069 5.549 1.00 24.82 O ATOM 668 CB ASP A 95 -9.455 -34.140 4.943 1.00 22.41 C ATOM 669 CG ASP A 95 -10.964 -34.097 4.677 1.00 22.46 C ATOM 670 OD1 ASP A 95 -11.385 -33.331 3.793 1.00 24.11 O ATOM 671 OD2 ASP A 95 -11.724 -34.829 5.351 1.00 25.13 O ATOM 0 H ASP A 95 -10.131 -33.566 7.799 1.00 21.75 H new ATOM 0 HA ASP A 95 -9.666 -35.283 6.640 1.00 23.34 H new ATOM 0 HB2 ASP A 95 -9.069 -33.273 4.741 1.00 22.41 H new ATOM 0 HB3 ASP A 95 -9.042 -34.781 4.344 1.00 22.41 H new ATOM 672 N GLY A 96 -7.210 -35.060 7.776 1.00 23.14 N ATOM 673 CA GLY A 96 -5.839 -35.445 8.028 1.00 23.02 C ATOM 674 C GLY A 96 -4.791 -34.354 7.924 1.00 21.89 C ATOM 675 O GLY A 96 -3.634 -34.575 8.287 1.00 23.76 O ATOM 0 H GLY A 96 -7.688 -34.943 8.481 1.00 23.14 H new ATOM 0 HA2 GLY A 96 -5.791 -35.826 8.919 1.00 23.02 H new ATOM 0 HA3 GLY A 96 -5.604 -36.150 7.405 1.00 23.02 H new ATOM 676 N LYS A 97 -5.159 -33.178 7.432 1.00 21.78 N ATOM 677 CA LYS A 97 -4.180 -32.096 7.322 1.00 21.20 C ATOM 678 C LYS A 97 -4.353 -31.116 8.475 1.00 19.86 C ATOM 679 O LYS A 97 -5.455 -30.622 8.709 1.00 17.39 O ATOM 680 CB LYS A 97 -4.331 -31.362 5.987 1.00 27.63 C ATOM 681 CG LYS A 97 -3.996 -32.215 4.760 1.00 33.03 C ATOM 682 CD LYS A 97 -3.916 -31.331 3.518 1.00 39.96 C ATOM 683 CE LYS A 97 -3.574 -32.129 2.261 1.00 43.66 C ATOM 684 NZ LYS A 97 -3.591 -31.265 1.039 1.00 45.07 N ATOM 0 H LYS A 97 -5.952 -32.985 7.161 1.00 21.78 H new ATOM 0 HA LYS A 97 -3.291 -32.483 7.362 1.00 21.20 H new ATOM 0 HB2 LYS A 97 -5.243 -31.042 5.907 1.00 27.63 H new ATOM 0 HB3 LYS A 97 -3.756 -30.581 5.992 1.00 27.63 H new ATOM 0 HG2 LYS A 97 -3.152 -32.673 4.895 1.00 33.03 H new ATOM 0 HG3 LYS A 97 -4.673 -32.899 4.637 1.00 33.03 H new ATOM 0 HD2 LYS A 97 -4.764 -30.878 3.390 1.00 39.96 H new ATOM 0 HD3 LYS A 97 -3.245 -30.644 3.655 1.00 39.96 H new ATOM 0 HE2 LYS A 97 -2.697 -32.532 2.361 1.00 43.66 H new ATOM 0 HE3 LYS A 97 -4.209 -32.854 2.154 1.00 43.66 H new ATOM 0 HZ1 LYS A 97 -3.389 -31.756 0.325 1.00 45.07 H new ATOM 0 HZ2 LYS A 97 -4.402 -30.912 0.936 1.00 45.07 H new ATOM 0 HZ3 LYS A 97 -2.993 -30.612 1.128 1.00 45.07 H new ATOM 685 N MET A 98 -3.263 -30.820 9.182 1.00 17.70 N ATOM 686 CA MET A 98 -3.345 -29.914 10.320 1.00 18.92 C ATOM 687 C MET A 98 -3.610 -28.475 9.909 1.00 18.00 C ATOM 688 O MET A 98 -2.833 -27.873 9.167 1.00 19.18 O ATOM 689 CB MET A 98 -2.065 -29.971 11.146 1.00 18.14 C ATOM 690 CG MET A 98 -2.254 -29.487 12.588 1.00 20.77 C ATOM 691 SD MET A 98 -0.687 -28.985 13.314 1.00 19.57 S ATOM 692 CE MET A 98 0.139 -30.582 13.446 1.00 22.26 C ATOM 0 H MET A 98 -2.477 -31.130 9.020 1.00 17.70 H new ATOM 0 HA MET A 98 -4.098 -30.214 10.852 1.00 18.92 H new ATOM 0 HB2 MET A 98 -1.735 -30.883 11.158 1.00 18.14 H new ATOM 0 HB3 MET A 98 -1.385 -29.429 10.716 1.00 18.14 H new ATOM 0 HG2 MET A 98 -2.874 -28.741 12.603 1.00 20.77 H new ATOM 0 HG3 MET A 98 -2.648 -30.195 13.121 1.00 20.77 H new ATOM 0 HE1 MET A 98 1.093 -30.445 13.556 1.00 22.26 H new ATOM 0 HE2 MET A 98 -0.209 -31.064 14.212 1.00 22.26 H new ATOM 0 HE3 MET A 98 -0.022 -31.097 12.640 1.00 22.26 H new ATOM 693 N VAL A 99 -4.708 -27.921 10.406 1.00 17.89 N ATOM 694 CA VAL A 99 -5.065 -26.545 10.088 1.00 16.98 C ATOM 695 C VAL A 99 -4.006 -25.562 10.597 1.00 16.32 C ATOM 696 O VAL A 99 -3.651 -24.612 9.910 1.00 16.32 O ATOM 697 CB VAL A 99 -6.436 -26.164 10.704 1.00 18.74 C ATOM 698 CG1 VAL A 99 -6.747 -24.698 10.397 1.00 20.45 C ATOM 699 CG2 VAL A 99 -7.541 -27.063 10.133 1.00 18.85 C ATOM 0 H VAL A 99 -5.260 -28.324 10.929 1.00 17.89 H new ATOM 0 HA VAL A 99 -5.118 -26.487 9.121 1.00 16.98 H new ATOM 0 HB VAL A 99 -6.397 -26.290 11.665 1.00 18.74 H new ATOM 0 HG11 VAL A 99 -7.605 -24.461 10.783 1.00 20.45 H new ATOM 0 HG12 VAL A 99 -6.055 -24.134 10.777 1.00 20.45 H new ATOM 0 HG13 VAL A 99 -6.778 -24.568 9.436 1.00 20.45 H new ATOM 0 HG21 VAL A 99 -8.394 -26.817 10.525 1.00 18.85 H new ATOM 0 HG22 VAL A 99 -7.584 -26.952 9.170 1.00 18.85 H new ATOM 0 HG23 VAL A 99 -7.345 -27.990 10.343 1.00 18.85 H new ATOM 700 N ASN A 100 -3.499 -25.807 11.799 1.00 16.61 N ATOM 701 CA ASN A 100 -2.481 -24.938 12.401 1.00 17.85 C ATOM 702 C ASN A 100 -1.267 -24.784 11.470 1.00 18.33 C ATOM 703 O ASN A 100 -0.797 -23.667 11.198 1.00 17.72 O ATOM 704 CB ASN A 100 -2.028 -25.524 13.741 1.00 16.02 C ATOM 705 CG ASN A 100 -3.185 -25.954 14.610 1.00 16.19 C ATOM 706 OD1 ASN A 100 -4.060 -26.709 14.169 1.00 16.31 O ATOM 707 ND2 ASN A 100 -3.196 -25.489 15.863 1.00 14.72 N ATOM 0 H ASN A 100 -3.730 -26.475 12.289 1.00 16.61 H new ATOM 0 HA ASN A 100 -2.873 -24.062 12.542 1.00 17.85 H new ATOM 0 HB2 ASN A 100 -1.450 -26.286 13.578 1.00 16.02 H new ATOM 0 HB3 ASN A 100 -1.499 -24.864 14.216 1.00 16.02 H new ATOM 0 HD21 ASN A 100 -3.830 -25.713 16.399 1.00 14.72 H new ATOM 0 HD22 ASN A 100 -2.569 -24.966 16.133 1.00 14.72 H new ATOM 708 N GLU A 101 -0.780 -25.914 10.968 1.00 17.51 N ATOM 709 CA GLU A 101 0.383 -25.927 10.091 1.00 18.82 C ATOM 710 C GLU A 101 0.107 -25.252 8.752 1.00 18.31 C ATOM 711 O GLU A 101 0.919 -24.466 8.273 1.00 18.53 O ATOM 712 CB GLU A 101 0.853 -27.376 9.864 1.00 22.17 C ATOM 713 CG GLU A 101 2.204 -27.497 9.139 1.00 26.64 C ATOM 714 CD GLU A 101 2.500 -28.928 8.682 1.00 33.80 C ATOM 715 OE1 GLU A 101 3.591 -29.154 8.110 1.00 38.17 O ATOM 716 OE2 GLU A 101 1.646 -29.827 8.888 1.00 34.25 O ATOM 0 H GLU A 101 -1.113 -26.691 11.126 1.00 17.51 H new ATOM 0 HA GLU A 101 1.083 -25.419 10.531 1.00 18.82 H new ATOM 0 HB2 GLU A 101 0.918 -27.822 10.723 1.00 22.17 H new ATOM 0 HB3 GLU A 101 0.179 -27.847 9.350 1.00 22.17 H new ATOM 0 HG2 GLU A 101 2.208 -26.908 8.369 1.00 26.64 H new ATOM 0 HG3 GLU A 101 2.912 -27.197 9.730 1.00 26.64 H new ATOM 717 N ALA A 102 -1.042 -25.557 8.152 1.00 18.78 N ATOM 718 CA ALA A 102 -1.412 -24.960 6.872 1.00 19.88 C ATOM 719 C ALA A 102 -1.406 -23.435 6.957 1.00 18.36 C ATOM 720 O ALA A 102 -0.873 -22.769 6.083 1.00 18.34 O ATOM 721 CB ALA A 102 -2.810 -25.479 6.413 1.00 20.79 C ATOM 0 H ALA A 102 -1.621 -26.108 8.470 1.00 18.78 H new ATOM 0 HA ALA A 102 -0.752 -25.225 6.213 1.00 19.88 H new ATOM 0 HB1 ALA A 102 -3.042 -25.074 5.563 1.00 20.79 H new ATOM 0 HB2 ALA A 102 -2.781 -26.444 6.315 1.00 20.79 H new ATOM 0 HB3 ALA A 102 -3.477 -25.242 7.076 1.00 20.79 H new ATOM 722 N LEU A 103 -1.972 -22.875 8.020 1.00 20.00 N ATOM 723 CA LEU A 103 -1.997 -21.415 8.170 1.00 19.86 C ATOM 724 C LEU A 103 -0.601 -20.824 8.184 1.00 19.42 C ATOM 725 O LEU A 103 -0.337 -19.806 7.538 1.00 19.32 O ATOM 726 CB LEU A 103 -2.701 -21.004 9.469 1.00 21.58 C ATOM 727 CG LEU A 103 -4.241 -20.957 9.484 1.00 21.67 C ATOM 728 CD1 LEU A 103 -4.728 -20.769 10.905 1.00 21.17 C ATOM 729 CD2 LEU A 103 -4.738 -19.818 8.603 1.00 20.95 C ATOM 0 H LEU A 103 -2.344 -23.312 8.661 1.00 20.00 H new ATOM 0 HA LEU A 103 -2.484 -21.073 7.404 1.00 19.86 H new ATOM 0 HB2 LEU A 103 -2.417 -21.617 10.166 1.00 21.58 H new ATOM 0 HB3 LEU A 103 -2.376 -20.124 9.716 1.00 21.58 H new ATOM 0 HG LEU A 103 -4.590 -21.792 9.136 1.00 21.67 H new ATOM 0 HD11 LEU A 103 -5.698 -20.739 10.914 1.00 21.17 H new ATOM 0 HD12 LEU A 103 -4.422 -21.509 11.453 1.00 21.17 H new ATOM 0 HD13 LEU A 103 -4.376 -19.938 11.260 1.00 21.17 H new ATOM 0 HD21 LEU A 103 -5.708 -19.796 8.618 1.00 20.95 H new ATOM 0 HD22 LEU A 103 -4.391 -18.976 8.936 1.00 20.95 H new ATOM 0 HD23 LEU A 103 -4.433 -19.956 7.693 1.00 20.95 H new ATOM 730 N VAL A 104 0.282 -21.445 8.956 1.00 18.98 N ATOM 731 CA VAL A 104 1.654 -20.961 9.065 1.00 18.88 C ATOM 732 C VAL A 104 2.371 -21.111 7.724 1.00 18.15 C ATOM 733 O VAL A 104 2.992 -20.169 7.245 1.00 20.00 O ATOM 734 CB VAL A 104 2.449 -21.735 10.175 1.00 19.62 C ATOM 735 CG1 VAL A 104 3.921 -21.280 10.178 1.00 19.76 C ATOM 736 CG2 VAL A 104 1.823 -21.458 11.552 1.00 17.33 C ATOM 0 H VAL A 104 0.109 -22.146 9.424 1.00 18.98 H new ATOM 0 HA VAL A 104 1.618 -20.024 9.314 1.00 18.88 H new ATOM 0 HB VAL A 104 2.408 -22.686 9.988 1.00 19.62 H new ATOM 0 HG11 VAL A 104 4.407 -21.761 10.866 1.00 19.76 H new ATOM 0 HG12 VAL A 104 4.319 -21.464 9.313 1.00 19.76 H new ATOM 0 HG13 VAL A 104 3.965 -20.328 10.358 1.00 19.76 H new ATOM 0 HG21 VAL A 104 2.317 -21.938 12.235 1.00 17.33 H new ATOM 0 HG22 VAL A 104 1.857 -20.507 11.738 1.00 17.33 H new ATOM 0 HG23 VAL A 104 0.899 -21.754 11.553 1.00 17.33 H new ATOM 737 N ARG A 105 2.250 -22.285 7.113 1.00 18.06 N ATOM 738 CA ARG A 105 2.909 -22.563 5.836 1.00 20.71 C ATOM 739 C ARG A 105 2.478 -21.612 4.723 1.00 21.74 C ATOM 740 O ARG A 105 3.289 -21.244 3.858 1.00 22.61 O ATOM 741 CB ARG A 105 2.659 -24.020 5.407 1.00 19.42 C ATOM 742 CG ARG A 105 3.387 -24.420 4.115 1.00 22.00 C ATOM 743 CD ARG A 105 4.919 -24.297 4.238 1.00 20.94 C ATOM 744 NE ARG A 105 5.607 -24.585 2.973 1.00 19.28 N ATOM 745 CZ ARG A 105 5.781 -23.699 1.993 1.00 21.28 C ATOM 746 NH1 ARG A 105 5.328 -22.454 2.121 1.00 20.35 N ATOM 747 NH2 ARG A 105 6.394 -24.056 0.873 1.00 20.84 N ATOM 0 H ARG A 105 1.787 -22.940 7.423 1.00 18.06 H new ATOM 0 HA ARG A 105 3.858 -22.422 5.980 1.00 20.71 H new ATOM 0 HB2 ARG A 105 2.940 -24.612 6.123 1.00 19.42 H new ATOM 0 HB3 ARG A 105 1.706 -24.154 5.286 1.00 19.42 H new ATOM 0 HG2 ARG A 105 3.156 -25.334 3.887 1.00 22.00 H new ATOM 0 HG3 ARG A 105 3.078 -23.859 3.386 1.00 22.00 H new ATOM 0 HD2 ARG A 105 5.147 -23.400 4.530 1.00 20.94 H new ATOM 0 HD3 ARG A 105 5.236 -24.907 4.922 1.00 20.94 H new ATOM 0 HE ARG A 105 5.918 -25.378 2.857 1.00 19.28 H new ATOM 0 HH11 ARG A 105 4.920 -22.217 2.840 1.00 20.35 H new ATOM 0 HH12 ARG A 105 5.443 -21.887 1.485 1.00 20.35 H new ATOM 0 HH21 ARG A 105 6.681 -24.861 0.778 1.00 20.84 H new ATOM 0 HH22 ARG A 105 6.505 -23.482 0.242 1.00 20.84 H new ATOM 748 N GLN A 106 1.208 -21.212 4.753 1.00 21.98 N ATOM 749 CA GLN A 106 0.658 -20.293 3.759 1.00 22.14 C ATOM 750 C GLN A 106 1.002 -18.835 4.114 1.00 22.30 C ATOM 751 O GLN A 106 0.643 -17.908 3.397 1.00 20.75 O ATOM 752 CB GLN A 106 -0.863 -20.474 3.679 1.00 24.47 C ATOM 753 CG GLN A 106 -1.482 -20.018 2.366 1.00 27.98 C ATOM 754 CD GLN A 106 -1.211 -20.975 1.209 1.00 30.60 C ATOM 755 OE1 GLN A 106 -0.771 -22.189 1.526 1.00 30.33 O flip ATOM 756 NE2 GLN A 106 -1.409 -20.626 0.044 1.00 30.08 N flip ATOM 0 H GLN A 106 0.642 -21.465 5.349 1.00 21.98 H new ATOM 0 HA GLN A 106 1.052 -20.494 2.896 1.00 22.14 H new ATOM 0 HB2 GLN A 106 -1.074 -21.411 3.815 1.00 24.47 H new ATOM 0 HB3 GLN A 106 -1.275 -19.982 4.406 1.00 24.47 H new ATOM 0 HG2 GLN A 106 -2.440 -19.924 2.483 1.00 27.98 H new ATOM 0 HG3 GLN A 106 -1.136 -19.140 2.140 1.00 27.98 H new ATOM 0 HE21 GLN A 106 -1.694 -19.832 -0.125 1.00 30.08 H new ATOM 0 HE22 GLN A 106 -1.262 -21.176 -0.601 1.00 30.08 H new ATOM 757 N GLY A 107 1.713 -18.638 5.220 1.00 21.82 N ATOM 758 CA GLY A 107 2.071 -17.288 5.621 1.00 23.56 C ATOM 759 C GLY A 107 0.896 -16.470 6.140 1.00 23.61 C ATOM 760 O GLY A 107 0.902 -15.243 6.020 1.00 23.71 O ATOM 0 H GLY A 107 1.992 -19.262 5.742 1.00 21.82 H new ATOM 0 HA2 GLY A 107 2.752 -17.334 6.310 1.00 23.56 H new ATOM 0 HA3 GLY A 107 2.465 -16.828 4.863 1.00 23.56 H new ATOM 761 N LEU A 108 -0.110 -17.142 6.706 1.00 22.65 N ATOM 762 CA LEU A 108 -1.299 -16.462 7.242 1.00 24.03 C ATOM 763 C LEU A 108 -1.324 -16.420 8.769 1.00 24.25 C ATOM 764 O LEU A 108 -2.309 -16.008 9.386 1.00 25.24 O ATOM 765 CB LEU A 108 -2.577 -17.122 6.715 1.00 23.03 C ATOM 766 CG LEU A 108 -2.804 -16.865 5.225 1.00 25.60 C ATOM 767 CD1 LEU A 108 -3.935 -17.750 4.693 1.00 24.94 C ATOM 768 CD2 LEU A 108 -3.114 -15.380 5.023 1.00 22.51 C ATOM 0 H LEU A 108 -0.125 -17.998 6.791 1.00 22.65 H new ATOM 0 HA LEU A 108 -1.254 -15.544 6.933 1.00 24.03 H new ATOM 0 HB2 LEU A 108 -2.530 -18.078 6.871 1.00 23.03 H new ATOM 0 HB3 LEU A 108 -3.338 -16.790 7.216 1.00 23.03 H new ATOM 0 HG LEU A 108 -2.004 -17.091 4.725 1.00 25.60 H new ATOM 0 HD11 LEU A 108 -4.066 -17.575 3.748 1.00 24.94 H new ATOM 0 HD12 LEU A 108 -3.703 -18.683 4.819 1.00 24.94 H new ATOM 0 HD13 LEU A 108 -4.754 -17.553 5.174 1.00 24.94 H new ATOM 0 HD21 LEU A 108 -3.260 -15.205 4.080 1.00 22.51 H new ATOM 0 HD22 LEU A 108 -3.912 -15.145 5.522 1.00 22.51 H new ATOM 0 HD23 LEU A 108 -2.367 -14.847 5.338 1.00 22.51 H new ATOM 769 N ALA A 109 -0.217 -16.834 9.369 1.00 23.84 N ATOM 770 CA ALA A 109 -0.084 -16.828 10.803 1.00 23.04 C ATOM 771 C ALA A 109 1.376 -16.989 11.152 1.00 25.10 C ATOM 772 O ALA A 109 2.155 -17.555 10.382 1.00 23.31 O ATOM 773 CB ALA A 109 -0.884 -17.963 11.414 1.00 22.85 C ATOM 0 H ALA A 109 0.475 -17.125 8.950 1.00 23.84 H new ATOM 0 HA ALA A 109 -0.423 -15.990 11.156 1.00 23.04 H new ATOM 0 HB1 ALA A 109 -0.785 -17.946 12.379 1.00 22.85 H new ATOM 0 HB2 ALA A 109 -1.821 -17.860 11.184 1.00 22.85 H new ATOM 0 HB3 ALA A 109 -0.559 -18.810 11.071 1.00 22.85 H new ATOM 774 N LYS A 110 1.737 -16.477 12.321 1.00 26.27 N ATOM 775 CA LYS A 110 3.091 -16.588 12.838 1.00 27.83 C ATOM 776 C LYS A 110 3.002 -17.653 13.919 1.00 26.23 C ATOM 777 O LYS A 110 1.924 -17.909 14.453 1.00 24.44 O ATOM 778 CB LYS A 110 3.546 -15.259 13.460 1.00 31.77 C ATOM 779 CG LYS A 110 3.618 -14.099 12.472 1.00 37.75 C ATOM 780 CD LYS A 110 3.808 -12.754 13.184 1.00 41.64 C ATOM 781 CE LYS A 110 3.960 -11.610 12.179 1.00 45.45 C ATOM 782 NZ LYS A 110 4.002 -10.260 12.830 1.00 48.33 N ATOM 0 H LYS A 110 1.198 -16.052 12.840 1.00 26.27 H new ATOM 0 HA LYS A 110 3.728 -16.809 12.140 1.00 27.83 H new ATOM 0 HB2 LYS A 110 2.936 -15.023 14.176 1.00 31.77 H new ATOM 0 HB3 LYS A 110 4.420 -15.384 13.861 1.00 31.77 H new ATOM 0 HG2 LYS A 110 4.352 -14.245 11.855 1.00 37.75 H new ATOM 0 HG3 LYS A 110 2.805 -14.073 11.944 1.00 37.75 H new ATOM 0 HD2 LYS A 110 3.048 -12.581 13.762 1.00 41.64 H new ATOM 0 HD3 LYS A 110 4.593 -12.795 13.752 1.00 41.64 H new ATOM 0 HE2 LYS A 110 4.773 -11.742 11.667 1.00 45.45 H new ATOM 0 HE3 LYS A 110 3.221 -11.638 11.551 1.00 45.45 H new ATOM 0 HZ1 LYS A 110 4.091 -9.632 12.206 1.00 48.33 H new ATOM 0 HZ2 LYS A 110 3.247 -10.124 13.282 1.00 48.33 H new ATOM 0 HZ3 LYS A 110 4.693 -10.221 13.390 1.00 48.33 H new ATOM 783 N VAL A 111 4.118 -18.293 14.228 1.00 25.79 N ATOM 784 CA VAL A 111 4.119 -19.294 15.273 1.00 26.41 C ATOM 785 C VAL A 111 4.127 -18.473 16.561 1.00 29.34 C ATOM 786 O VAL A 111 4.904 -17.514 16.684 1.00 28.02 O ATOM 787 CB VAL A 111 5.370 -20.192 15.198 1.00 25.62 C ATOM 788 CG1 VAL A 111 5.480 -21.044 16.443 1.00 23.81 C ATOM 789 CG2 VAL A 111 5.279 -21.089 13.977 1.00 24.50 C ATOM 0 H VAL A 111 4.878 -18.163 13.847 1.00 25.79 H new ATOM 0 HA VAL A 111 3.361 -19.895 15.206 1.00 26.41 H new ATOM 0 HB VAL A 111 6.157 -19.629 15.132 1.00 25.62 H new ATOM 0 HG11 VAL A 111 6.270 -21.604 16.384 1.00 23.81 H new ATOM 0 HG12 VAL A 111 5.548 -20.471 17.223 1.00 23.81 H new ATOM 0 HG13 VAL A 111 4.692 -21.605 16.522 1.00 23.81 H new ATOM 0 HG21 VAL A 111 6.066 -21.654 13.931 1.00 24.50 H new ATOM 0 HG22 VAL A 111 4.487 -21.645 14.042 1.00 24.50 H new ATOM 0 HG23 VAL A 111 5.226 -20.543 13.177 1.00 24.50 H new ATOM 790 N ALA A 112 3.249 -18.837 17.495 1.00 28.12 N ATOM 791 CA ALA A 112 3.130 -18.144 18.772 1.00 30.25 C ATOM 792 C ALA A 112 4.060 -18.768 19.798 1.00 31.63 C ATOM 793 O ALA A 112 4.580 -19.857 19.588 1.00 31.46 O ATOM 794 CB ALA A 112 1.683 -18.217 19.268 1.00 27.43 C ATOM 0 H ALA A 112 2.704 -19.496 17.403 1.00 28.12 H new ATOM 0 HA ALA A 112 3.380 -17.215 18.649 1.00 30.25 H new ATOM 0 HB1 ALA A 112 1.608 -17.755 20.118 1.00 27.43 H new ATOM 0 HB2 ALA A 112 1.097 -17.797 18.619 1.00 27.43 H new ATOM 0 HB3 ALA A 112 1.426 -19.145 19.382 1.00 27.43 H new ATOM 795 N TYR A 113 4.271 -18.076 20.914 1.00 36.42 N ATOM 796 CA TYR A 113 5.126 -18.614 21.969 1.00 39.30 C ATOM 797 C TYR A 113 4.411 -19.818 22.562 1.00 38.25 C ATOM 798 O TYR A 113 3.180 -19.868 22.583 1.00 37.75 O ATOM 799 CB TYR A 113 5.360 -17.592 23.089 1.00 43.49 C ATOM 800 CG TYR A 113 5.777 -16.222 22.617 1.00 48.56 C ATOM 801 CD1 TYR A 113 4.833 -15.316 22.139 1.00 51.66 C ATOM 802 CD2 TYR A 113 7.118 -15.836 22.619 1.00 51.30 C ATOM 803 CE1 TYR A 113 5.212 -14.056 21.672 1.00 54.85 C ATOM 804 CE2 TYR A 113 7.508 -14.575 22.153 1.00 53.34 C ATOM 805 CZ TYR A 113 6.549 -13.693 21.680 1.00 54.56 C ATOM 806 OH TYR A 113 6.913 -12.455 21.201 1.00 56.91 O ATOM 0 H TYR A 113 3.933 -17.303 21.079 1.00 36.42 H new ATOM 0 HA TYR A 113 5.988 -18.846 21.589 1.00 39.30 H new ATOM 0 HB2 TYR A 113 4.545 -17.507 23.608 1.00 43.49 H new ATOM 0 HB3 TYR A 113 6.042 -17.936 23.686 1.00 43.49 H new ATOM 0 HD1 TYR A 113 3.934 -15.555 22.131 1.00 51.66 H new ATOM 0 HD2 TYR A 113 7.763 -16.426 22.935 1.00 51.30 H new ATOM 0 HE1 TYR A 113 4.569 -13.462 21.357 1.00 54.85 H new ATOM 0 HE2 TYR A 113 8.405 -14.330 22.161 1.00 53.34 H new ATOM 0 HH TYR A 113 7.746 -12.364 21.264 1.00 56.91 H new ATOM 807 N VAL A 114 5.189 -20.792 23.022 1.00 37.68 N ATOM 808 CA VAL A 114 4.633 -21.980 23.643 1.00 36.90 C ATOM 809 C VAL A 114 3.799 -21.545 24.851 1.00 38.08 C ATOM 810 O VAL A 114 4.164 -20.614 25.569 1.00 36.65 O ATOM 811 CB VAL A 114 5.755 -22.918 24.105 1.00 37.28 C ATOM 812 CG1 VAL A 114 5.180 -24.069 24.922 1.00 34.54 C ATOM 813 CG2 VAL A 114 6.509 -23.442 22.890 1.00 36.03 C ATOM 0 H VAL A 114 6.048 -20.780 22.982 1.00 37.68 H new ATOM 0 HA VAL A 114 4.081 -22.455 23.002 1.00 36.90 H new ATOM 0 HB VAL A 114 6.372 -22.428 24.671 1.00 37.28 H new ATOM 0 HG11 VAL A 114 5.899 -24.654 25.208 1.00 34.54 H new ATOM 0 HG12 VAL A 114 4.722 -23.716 25.701 1.00 34.54 H new ATOM 0 HG13 VAL A 114 4.553 -24.570 24.378 1.00 34.54 H new ATOM 0 HG21 VAL A 114 7.219 -24.035 23.181 1.00 36.03 H new ATOM 0 HG22 VAL A 114 5.898 -23.928 22.314 1.00 36.03 H new ATOM 0 HG23 VAL A 114 6.891 -22.697 22.400 1.00 36.03 H new ATOM 814 N TYR A 115 2.675 -22.217 25.065 1.00 38.27 N ATOM 815 CA TYR A 115 1.796 -21.892 26.182 1.00 37.84 C ATOM 816 C TYR A 115 1.564 -23.101 27.089 1.00 36.04 C ATOM 817 O TYR A 115 0.974 -24.103 26.672 1.00 35.33 O ATOM 818 CB TYR A 115 0.447 -21.382 25.658 1.00 39.22 C ATOM 819 CG TYR A 115 -0.553 -21.052 26.750 1.00 41.80 C ATOM 820 CD1 TYR A 115 -0.449 -19.867 27.489 1.00 42.96 C ATOM 821 CD2 TYR A 115 -1.578 -21.945 27.075 1.00 41.12 C ATOM 822 CE1 TYR A 115 -1.344 -19.584 28.528 1.00 42.93 C ATOM 823 CE2 TYR A 115 -2.472 -21.678 28.108 1.00 41.84 C ATOM 824 CZ TYR A 115 -2.352 -20.498 28.832 1.00 43.88 C ATOM 825 OH TYR A 115 -3.226 -20.241 29.868 1.00 42.97 O ATOM 0 H TYR A 115 2.402 -22.867 24.573 1.00 38.27 H new ATOM 0 HA TYR A 115 2.231 -21.200 26.705 1.00 37.84 H new ATOM 0 HB2 TYR A 115 0.598 -20.589 25.120 1.00 39.22 H new ATOM 0 HB3 TYR A 115 0.063 -22.053 25.072 1.00 39.22 H new ATOM 0 HD1 TYR A 115 0.225 -19.259 27.287 1.00 42.96 H new ATOM 0 HD2 TYR A 115 -1.665 -22.734 26.591 1.00 41.12 H new ATOM 0 HE1 TYR A 115 -1.267 -18.793 29.011 1.00 42.93 H new ATOM 0 HE2 TYR A 115 -3.146 -22.286 28.312 1.00 41.84 H new ATOM 0 HH TYR A 115 -3.325 -19.411 29.952 1.00 42.97 H new ATOM 826 N LYS A 116 2.046 -22.997 28.322 1.00 33.21 N ATOM 827 CA LYS A 116 1.884 -24.035 29.336 1.00 32.16 C ATOM 828 C LYS A 116 2.229 -25.462 28.922 1.00 29.80 C ATOM 829 O LYS A 116 1.444 -26.375 29.156 1.00 29.91 O ATOM 830 CB LYS A 116 0.443 -24.027 29.857 1.00 35.57 C ATOM 831 CG LYS A 116 -0.103 -22.650 30.241 1.00 39.13 C ATOM 832 CD LYS A 116 0.731 -21.981 31.311 1.00 40.60 C ATOM 833 CE LYS A 116 0.023 -20.757 31.858 1.00 43.60 C ATOM 834 NZ LYS A 116 0.927 -19.986 32.757 1.00 45.81 N ATOM 0 H LYS A 116 2.484 -22.310 28.599 1.00 33.21 H new ATOM 0 HA LYS A 116 2.537 -23.798 30.013 1.00 32.16 H new ATOM 0 HB2 LYS A 116 -0.134 -24.410 29.177 1.00 35.57 H new ATOM 0 HB3 LYS A 116 0.391 -24.607 30.633 1.00 35.57 H new ATOM 0 HG2 LYS A 116 -0.130 -22.084 29.454 1.00 39.13 H new ATOM 0 HG3 LYS A 116 -1.016 -22.742 30.556 1.00 39.13 H new ATOM 0 HD2 LYS A 116 0.905 -22.608 32.031 1.00 40.60 H new ATOM 0 HD3 LYS A 116 1.591 -21.725 30.944 1.00 40.60 H new ATOM 0 HE2 LYS A 116 -0.271 -20.193 31.126 1.00 43.60 H new ATOM 0 HE3 LYS A 116 -0.772 -21.027 32.344 1.00 43.60 H new ATOM 0 HZ1 LYS A 116 0.497 -19.272 33.069 1.00 45.81 H new ATOM 0 HZ2 LYS A 116 1.179 -20.501 33.438 1.00 45.81 H new ATOM 0 HZ3 LYS A 116 1.645 -19.724 32.302 1.00 45.81 H new ATOM 835 N GLY A 117 3.380 -25.655 28.292 1.00 29.04 N ATOM 836 CA GLY A 117 3.797 -26.995 27.909 1.00 26.85 C ATOM 837 C GLY A 117 3.230 -27.583 26.629 1.00 25.64 C ATOM 838 O GLY A 117 3.485 -28.747 26.314 1.00 23.84 O ATOM 0 H GLY A 117 3.930 -25.029 28.079 1.00 29.04 H new ATOM 0 HA2 GLY A 117 4.764 -26.994 27.832 1.00 26.85 H new ATOM 0 HA3 GLY A 117 3.571 -27.595 28.637 1.00 26.85 H new ATOM 839 N ASN A 118 2.458 -26.805 25.884 1.00 24.50 N ATOM 840 CA ASN A 118 1.891 -27.320 24.640 1.00 23.82 C ATOM 841 C ASN A 118 2.857 -26.992 23.509 1.00 23.82 C ATOM 842 O ASN A 118 2.685 -25.995 22.813 1.00 23.41 O ATOM 843 CB ASN A 118 0.515 -26.682 24.383 1.00 22.58 C ATOM 844 CG ASN A 118 -0.514 -27.102 25.408 1.00 19.13 C ATOM 845 OD1 ASN A 118 -0.682 -28.282 25.664 1.00 20.43 O ATOM 846 ND2 ASN A 118 -1.224 -26.136 25.985 1.00 20.21 N ATOM 0 H ASN A 118 2.251 -25.992 26.073 1.00 24.50 H new ATOM 0 HA ASN A 118 1.766 -28.280 24.697 1.00 23.82 H new ATOM 0 HB2 ASN A 118 0.602 -25.716 24.393 1.00 22.58 H new ATOM 0 HB3 ASN A 118 0.206 -26.930 23.498 1.00 22.58 H new ATOM 0 HD21 ASN A 118 -1.829 -26.334 26.563 1.00 20.21 H new ATOM 0 HD22 ASN A 118 -1.078 -25.314 25.780 1.00 20.21 H new ATOM 847 N ASN A 119 3.866 -27.844 23.329 1.00 24.79 N ATOM 848 CA ASN A 119 4.888 -27.613 22.312 1.00 27.95 C ATOM 849 C ASN A 119 5.208 -28.789 21.404 1.00 27.11 C ATOM 850 O ASN A 119 6.170 -28.730 20.643 1.00 29.08 O ATOM 851 CB ASN A 119 6.194 -27.166 22.985 1.00 29.73 C ATOM 852 CG ASN A 119 6.750 -28.220 23.945 1.00 34.75 C ATOM 853 OD1 ASN A 119 6.414 -29.408 23.857 1.00 32.97 O ATOM 854 ND2 ASN A 119 7.614 -27.787 24.863 1.00 38.56 N ATOM 0 H ASN A 119 3.976 -28.563 23.787 1.00 24.79 H new ATOM 0 HA ASN A 119 4.504 -26.931 21.740 1.00 27.95 H new ATOM 0 HB2 ASN A 119 6.856 -26.973 22.303 1.00 29.73 H new ATOM 0 HB3 ASN A 119 6.038 -26.341 23.471 1.00 29.73 H new ATOM 0 HD21 ASN A 119 7.960 -28.341 25.423 1.00 38.56 H new ATOM 0 HD22 ASN A 119 7.825 -26.954 24.896 1.00 38.56 H new ATOM 855 N THR A 120 4.423 -29.853 21.474 1.00 27.04 N ATOM 856 CA THR A 120 4.689 -31.019 20.641 1.00 25.96 C ATOM 857 C THR A 120 4.967 -30.694 19.167 1.00 26.05 C ATOM 858 O THR A 120 5.921 -31.205 18.593 1.00 26.69 O ATOM 859 CB THR A 120 3.532 -32.033 20.719 1.00 26.58 C ATOM 860 OG1 THR A 120 3.402 -32.492 22.063 1.00 26.37 O ATOM 861 CG2 THR A 120 3.806 -33.242 19.822 1.00 27.94 C ATOM 0 H THR A 120 3.739 -29.923 21.990 1.00 27.04 H new ATOM 0 HA THR A 120 5.502 -31.401 21.007 1.00 25.96 H new ATOM 0 HB THR A 120 2.719 -31.594 20.423 1.00 26.58 H new ATOM 0 HG1 THR A 120 2.959 -31.934 22.508 1.00 26.37 H new ATOM 0 HG21 THR A 120 3.067 -33.867 19.886 1.00 27.94 H new ATOM 0 HG22 THR A 120 3.902 -32.948 18.903 1.00 27.94 H new ATOM 0 HG23 THR A 120 4.623 -33.679 20.108 1.00 27.94 H new ATOM 862 N HIS A 121 4.164 -29.829 18.559 1.00 24.82 N ATOM 863 CA HIS A 121 4.355 -29.508 17.143 1.00 24.07 C ATOM 864 C HIS A 121 5.061 -28.206 16.830 1.00 23.71 C ATOM 865 O HIS A 121 5.035 -27.739 15.691 1.00 22.07 O ATOM 866 CB HIS A 121 2.999 -29.539 16.435 1.00 22.99 C ATOM 867 CG HIS A 121 2.370 -30.894 16.435 1.00 23.91 C ATOM 868 ND1 HIS A 121 1.132 -31.309 16.795 1.00 24.55 N flip ATOM 869 CD2 HIS A 121 3.062 -32.026 16.056 1.00 25.37 C flip ATOM 870 CE1 HIS A 121 1.099 -32.674 16.632 1.00 26.35 C flip ATOM 871 NE2 HIS A 121 2.276 -33.080 16.185 1.00 25.45 N flip ATOM 0 H HIS A 121 3.510 -29.420 18.939 1.00 24.82 H new ATOM 0 HA HIS A 121 4.961 -30.191 16.816 1.00 24.07 H new ATOM 0 HB2 HIS A 121 2.400 -28.910 16.867 1.00 22.99 H new ATOM 0 HB3 HIS A 121 3.111 -29.240 15.519 1.00 22.99 H new ATOM 0 HD1 HIS A 121 0.488 -30.812 17.073 1.00 24.55 H new ATOM 0 HD2 HIS A 121 3.942 -32.044 15.757 1.00 25.37 H new ATOM 0 HE1 HIS A 121 0.369 -33.222 16.807 1.00 26.35 H new ATOM 872 N GLU A 122 5.701 -27.622 17.835 1.00 23.46 N ATOM 873 CA GLU A 122 6.387 -26.359 17.642 1.00 26.70 C ATOM 874 C GLU A 122 7.472 -26.383 16.556 1.00 27.17 C ATOM 875 O GLU A 122 7.571 -25.449 15.772 1.00 28.73 O ATOM 876 CB GLU A 122 6.992 -25.886 18.973 1.00 28.52 C ATOM 877 CG GLU A 122 7.863 -24.653 18.849 1.00 31.31 C ATOM 878 CD GLU A 122 8.585 -24.326 20.146 1.00 32.64 C ATOM 879 OE1 GLU A 122 8.777 -25.249 20.966 1.00 33.04 O ATOM 880 OE2 GLU A 122 8.968 -23.153 20.336 1.00 31.91 O ATOM 0 H GLU A 122 5.748 -27.941 18.632 1.00 23.46 H new ATOM 0 HA GLU A 122 5.712 -25.737 17.328 1.00 26.70 H new ATOM 0 HB2 GLU A 122 6.273 -25.701 19.597 1.00 28.52 H new ATOM 0 HB3 GLU A 122 7.519 -26.606 19.352 1.00 28.52 H new ATOM 0 HG2 GLU A 122 8.515 -24.789 18.144 1.00 31.31 H new ATOM 0 HG3 GLU A 122 7.315 -23.897 18.587 1.00 31.31 H new ATOM 881 N GLN A 123 8.282 -27.435 16.504 1.00 27.34 N ATOM 882 CA GLN A 123 9.342 -27.471 15.500 1.00 29.93 C ATOM 883 C GLN A 123 8.759 -27.583 14.119 1.00 27.87 C ATOM 884 O GLN A 123 9.213 -26.908 13.207 1.00 26.66 O ATOM 885 CB GLN A 123 10.324 -28.615 15.758 1.00 32.55 C ATOM 886 CG GLN A 123 11.180 -28.365 16.986 1.00 38.99 C ATOM 887 CD GLN A 123 11.790 -26.966 16.988 1.00 43.59 C ATOM 888 OE1 GLN A 123 12.485 -26.576 16.044 1.00 48.52 O ATOM 889 NE2 GLN A 123 11.534 -26.208 18.048 1.00 44.62 N ATOM 0 H GLN A 123 8.239 -28.119 17.023 1.00 27.34 H new ATOM 0 HA GLN A 123 9.835 -26.638 15.565 1.00 29.93 H new ATOM 0 HB2 GLN A 123 9.832 -29.443 15.871 1.00 32.55 H new ATOM 0 HB3 GLN A 123 10.897 -28.729 14.984 1.00 32.55 H new ATOM 0 HG2 GLN A 123 10.641 -28.482 17.784 1.00 38.99 H new ATOM 0 HG3 GLN A 123 11.889 -29.026 17.024 1.00 38.99 H new ATOM 0 HE21 GLN A 123 11.046 -26.513 18.687 1.00 44.62 H new ATOM 0 HE22 GLN A 123 11.857 -25.412 18.096 1.00 44.62 H new ATOM 890 N LEU A 124 7.754 -28.441 13.979 1.00 27.66 N ATOM 891 CA LEU A 124 7.063 -28.617 12.714 1.00 26.91 C ATOM 892 C LEU A 124 6.557 -27.257 12.227 1.00 24.60 C ATOM 893 O LEU A 124 6.717 -26.898 11.062 1.00 25.78 O ATOM 894 CB LEU A 124 5.875 -29.572 12.900 1.00 29.35 C ATOM 895 CG LEU A 124 5.003 -29.833 11.666 1.00 31.84 C ATOM 896 CD1 LEU A 124 5.733 -30.777 10.712 1.00 32.58 C ATOM 897 CD2 LEU A 124 3.675 -30.449 12.092 1.00 31.72 C ATOM 0 H LEU A 124 7.456 -28.936 14.616 1.00 27.66 H new ATOM 0 HA LEU A 124 7.673 -28.993 12.060 1.00 26.91 H new ATOM 0 HB2 LEU A 124 6.217 -30.423 13.215 1.00 29.35 H new ATOM 0 HB3 LEU A 124 5.308 -29.217 13.602 1.00 29.35 H new ATOM 0 HG LEU A 124 4.830 -28.993 11.213 1.00 31.84 H new ATOM 0 HD11 LEU A 124 5.180 -30.941 9.932 1.00 32.58 H new ATOM 0 HD12 LEU A 124 6.570 -30.373 10.435 1.00 32.58 H new ATOM 0 HD13 LEU A 124 5.913 -31.617 11.162 1.00 32.58 H new ATOM 0 HD21 LEU A 124 3.127 -30.612 11.308 1.00 31.72 H new ATOM 0 HD22 LEU A 124 3.839 -31.288 12.551 1.00 31.72 H new ATOM 0 HD23 LEU A 124 3.212 -29.840 12.688 1.00 31.72 H new ATOM 898 N LEU A 125 5.960 -26.485 13.128 1.00 24.50 N ATOM 899 CA LEU A 125 5.436 -25.186 12.751 1.00 25.26 C ATOM 900 C LEU A 125 6.527 -24.149 12.500 1.00 25.79 C ATOM 901 O LEU A 125 6.393 -23.307 11.608 1.00 23.16 O ATOM 902 CB LEU A 125 4.460 -24.677 13.814 1.00 27.93 C ATOM 903 CG LEU A 125 3.213 -25.542 14.054 1.00 30.69 C ATOM 904 CD1 LEU A 125 2.222 -24.738 14.883 1.00 32.48 C ATOM 905 CD2 LEU A 125 2.570 -25.935 12.746 1.00 29.98 C ATOM 0 H LEU A 125 5.850 -26.695 13.955 1.00 24.50 H new ATOM 0 HA LEU A 125 4.969 -25.310 11.910 1.00 25.26 H new ATOM 0 HB2 LEU A 125 4.939 -24.592 14.653 1.00 27.93 H new ATOM 0 HB3 LEU A 125 4.170 -23.786 13.561 1.00 27.93 H new ATOM 0 HG LEU A 125 3.472 -26.352 14.520 1.00 30.69 H new ATOM 0 HD11 LEU A 125 1.427 -25.271 15.044 1.00 32.48 H new ATOM 0 HD12 LEU A 125 2.628 -24.499 15.731 1.00 32.48 H new ATOM 0 HD13 LEU A 125 1.978 -23.931 14.403 1.00 32.48 H new ATOM 0 HD21 LEU A 125 1.787 -26.479 12.921 1.00 29.98 H new ATOM 0 HD22 LEU A 125 2.307 -25.137 12.262 1.00 29.98 H new ATOM 0 HD23 LEU A 125 3.203 -26.442 12.213 1.00 29.98 H new ATOM 906 N ARG A 126 7.595 -24.200 13.288 1.00 25.26 N ATOM 907 CA ARG A 126 8.704 -23.262 13.098 1.00 28.19 C ATOM 908 C ARG A 126 9.283 -23.470 11.696 1.00 26.90 C ATOM 909 O ARG A 126 9.612 -22.514 10.993 1.00 26.10 O ATOM 910 CB ARG A 126 9.791 -23.502 14.147 1.00 30.59 C ATOM 911 CG ARG A 126 9.464 -22.936 15.502 1.00 35.57 C ATOM 912 CD ARG A 126 9.445 -21.432 15.439 1.00 39.65 C ATOM 913 NE ARG A 126 9.122 -20.825 16.728 1.00 43.38 N ATOM 914 CZ ARG A 126 8.892 -19.526 16.895 1.00 44.81 C ATOM 915 NH1 ARG A 126 8.956 -18.695 15.855 1.00 45.58 N ATOM 916 NH2 ARG A 126 8.570 -19.059 18.095 1.00 46.48 N ATOM 0 H ARG A 126 7.700 -24.761 13.931 1.00 25.26 H new ATOM 0 HA ARG A 126 8.381 -22.353 13.196 1.00 28.19 H new ATOM 0 HB2 ARG A 126 9.941 -24.457 14.232 1.00 30.59 H new ATOM 0 HB3 ARG A 126 10.622 -23.111 13.835 1.00 30.59 H new ATOM 0 HG2 ARG A 126 8.602 -23.266 15.799 1.00 35.57 H new ATOM 0 HG3 ARG A 126 10.121 -23.232 16.152 1.00 35.57 H new ATOM 0 HD2 ARG A 126 10.311 -21.112 15.142 1.00 39.65 H new ATOM 0 HD3 ARG A 126 8.795 -21.147 14.778 1.00 39.65 H new ATOM 0 HE ARG A 126 9.078 -21.337 17.418 1.00 43.38 H new ATOM 0 HH11 ARG A 126 9.146 -18.998 15.073 1.00 45.58 H new ATOM 0 HH12 ARG A 126 8.807 -17.855 15.966 1.00 45.58 H new ATOM 0 HH21 ARG A 126 8.510 -19.596 18.764 1.00 46.48 H new ATOM 0 HH22 ARG A 126 8.421 -18.219 18.204 1.00 46.48 H new ATOM 917 N LYS A 127 9.390 -24.727 11.282 1.00 28.37 N ATOM 918 CA LYS A 127 9.904 -25.023 9.943 1.00 30.69 C ATOM 919 C LYS A 127 8.966 -24.493 8.852 1.00 27.51 C ATOM 920 O LYS A 127 9.414 -23.919 7.866 1.00 26.84 O ATOM 921 CB LYS A 127 10.133 -26.529 9.794 1.00 31.16 C ATOM 922 CG LYS A 127 11.303 -26.996 10.665 1.00 38.68 C ATOM 923 CD LYS A 127 11.737 -28.431 10.396 1.00 41.48 C ATOM 924 CE LYS A 127 12.926 -28.791 11.293 1.00 43.64 C ATOM 925 NZ LYS A 127 13.619 -30.049 10.887 1.00 45.20 N ATOM 0 H LYS A 127 9.175 -25.416 11.750 1.00 28.37 H new ATOM 0 HA LYS A 127 10.753 -24.567 9.833 1.00 30.69 H new ATOM 0 HB2 LYS A 127 9.328 -27.008 10.044 1.00 31.16 H new ATOM 0 HB3 LYS A 127 10.312 -26.742 8.865 1.00 31.16 H new ATOM 0 HG2 LYS A 127 12.059 -26.406 10.519 1.00 38.68 H new ATOM 0 HG3 LYS A 127 11.053 -26.912 11.599 1.00 38.68 H new ATOM 0 HD2 LYS A 127 10.999 -29.038 10.564 1.00 41.48 H new ATOM 0 HD3 LYS A 127 11.982 -28.534 9.463 1.00 41.48 H new ATOM 0 HE2 LYS A 127 13.564 -28.060 11.281 1.00 43.64 H new ATOM 0 HE3 LYS A 127 12.616 -28.882 12.208 1.00 43.64 H new ATOM 0 HZ1 LYS A 127 14.297 -30.207 11.441 1.00 45.20 H new ATOM 0 HZ2 LYS A 127 13.045 -30.728 10.920 1.00 45.20 H new ATOM 0 HZ3 LYS A 127 13.928 -29.963 10.057 1.00 45.20 H new ATOM 926 N ALA A 128 7.662 -24.671 9.042 1.00 26.60 N ATOM 927 CA ALA A 128 6.676 -24.191 8.067 1.00 24.73 C ATOM 928 C ALA A 128 6.799 -22.674 7.925 1.00 24.68 C ATOM 929 O ALA A 128 6.752 -22.134 6.825 1.00 24.18 O ATOM 930 CB ALA A 128 5.258 -24.566 8.520 1.00 21.69 C ATOM 0 H ALA A 128 7.324 -25.066 9.727 1.00 26.60 H new ATOM 0 HA ALA A 128 6.846 -24.608 7.208 1.00 24.73 H new ATOM 0 HB1 ALA A 128 4.615 -24.244 7.869 1.00 21.69 H new ATOM 0 HB2 ALA A 128 5.187 -25.530 8.595 1.00 21.69 H new ATOM 0 HB3 ALA A 128 5.076 -24.160 9.382 1.00 21.69 H new ATOM 931 N GLU A 129 6.952 -21.995 9.057 1.00 24.23 N ATOM 932 CA GLU A 129 7.080 -20.546 9.077 1.00 24.47 C ATOM 933 C GLU A 129 8.340 -20.031 8.375 1.00 23.82 C ATOM 934 O GLU A 129 8.293 -19.033 7.668 1.00 25.94 O ATOM 935 CB GLU A 129 7.101 -20.047 10.518 1.00 25.30 C ATOM 936 CG GLU A 129 7.093 -18.546 10.619 1.00 26.36 C ATOM 937 CD GLU A 129 7.294 -18.073 12.042 1.00 28.27 C ATOM 938 OE1 GLU A 129 6.405 -17.388 12.570 1.00 28.02 O ATOM 939 OE2 GLU A 129 8.344 -18.397 12.626 1.00 30.21 O ATOM 0 H GLU A 129 6.984 -22.363 9.834 1.00 24.23 H new ATOM 0 HA GLU A 129 6.312 -20.205 8.592 1.00 24.47 H new ATOM 0 HB2 GLU A 129 6.331 -20.402 10.989 1.00 25.30 H new ATOM 0 HB3 GLU A 129 7.891 -20.392 10.963 1.00 25.30 H new ATOM 0 HG2 GLU A 129 7.793 -18.181 10.056 1.00 26.36 H new ATOM 0 HG3 GLU A 129 6.250 -18.204 10.281 1.00 26.36 H new ATOM 940 N ALA A 130 9.463 -20.696 8.608 1.00 23.84 N ATOM 941 CA ALA A 130 10.738 -20.310 7.996 1.00 26.22 C ATOM 942 C ALA A 130 10.579 -20.354 6.484 1.00 26.13 C ATOM 943 O ALA A 130 11.035 -19.459 5.768 1.00 26.66 O ATOM 944 CB ALA A 130 11.846 -21.273 8.431 1.00 23.67 C ATOM 0 H ALA A 130 9.513 -21.383 9.123 1.00 23.84 H new ATOM 0 HA ALA A 130 10.981 -19.415 8.280 1.00 26.22 H new ATOM 0 HB1 ALA A 130 12.684 -21.009 8.021 1.00 23.67 H new ATOM 0 HB2 ALA A 130 11.937 -21.247 9.396 1.00 23.67 H new ATOM 0 HB3 ALA A 130 11.620 -22.174 8.152 1.00 23.67 H new ATOM 945 N GLN A 131 9.907 -21.397 6.012 1.00 26.12 N ATOM 946 CA GLN A 131 9.666 -21.572 4.586 1.00 27.11 C ATOM 947 C GLN A 131 8.757 -20.482 4.029 1.00 25.38 C ATOM 948 O GLN A 131 9.025 -19.950 2.965 1.00 24.01 O ATOM 949 CB GLN A 131 9.064 -22.952 4.317 1.00 28.23 C ATOM 950 CG GLN A 131 9.173 -23.381 2.870 1.00 33.07 C ATOM 951 CD GLN A 131 10.586 -23.215 2.325 1.00 35.32 C ATOM 952 OE1 GLN A 131 11.550 -23.730 2.895 1.00 36.95 O ATOM 953 NE2 GLN A 131 10.713 -22.492 1.217 1.00 36.36 N ATOM 0 H GLN A 131 9.580 -22.020 6.506 1.00 26.12 H new ATOM 0 HA GLN A 131 10.521 -21.502 4.132 1.00 27.11 H new ATOM 0 HB2 GLN A 131 9.510 -23.607 4.876 1.00 28.23 H new ATOM 0 HB3 GLN A 131 8.129 -22.946 4.577 1.00 28.23 H new ATOM 0 HG2 GLN A 131 8.904 -24.309 2.788 1.00 33.07 H new ATOM 0 HG3 GLN A 131 8.557 -22.859 2.332 1.00 33.07 H new ATOM 0 HE21 GLN A 131 10.018 -22.148 0.846 1.00 36.36 H new ATOM 0 HE22 GLN A 131 11.491 -22.369 0.871 1.00 36.36 H new ATOM 954 N ALA A 132 7.683 -20.146 4.746 1.00 26.80 N ATOM 955 CA ALA A 132 6.761 -19.097 4.293 1.00 25.59 C ATOM 956 C ALA A 132 7.491 -17.747 4.246 1.00 27.79 C ATOM 957 O ALA A 132 7.233 -16.902 3.378 1.00 25.25 O ATOM 958 CB ALA A 132 5.563 -19.007 5.233 1.00 26.05 C ATOM 0 H ALA A 132 7.469 -20.511 5.495 1.00 26.80 H new ATOM 0 HA ALA A 132 6.445 -19.320 3.403 1.00 25.59 H new ATOM 0 HB1 ALA A 132 4.961 -18.312 4.925 1.00 26.05 H new ATOM 0 HB2 ALA A 132 5.096 -19.857 5.244 1.00 26.05 H new ATOM 0 HB3 ALA A 132 5.869 -18.795 6.129 1.00 26.05 H new ATOM 959 N LYS A 133 8.398 -17.555 5.200 1.00 28.43 N ATOM 960 CA LYS A 133 9.183 -16.332 5.291 1.00 30.94 C ATOM 961 C LYS A 133 10.086 -16.239 4.057 1.00 31.11 C ATOM 962 O LYS A 133 10.141 -15.202 3.399 1.00 29.40 O ATOM 963 CB LYS A 133 10.029 -16.366 6.566 1.00 33.85 C ATOM 964 CG LYS A 133 10.410 -14.996 7.105 1.00 39.75 C ATOM 965 CD LYS A 133 11.269 -15.093 8.366 1.00 41.91 C ATOM 966 CE LYS A 133 10.662 -16.059 9.371 1.00 45.77 C ATOM 967 NZ LYS A 133 9.182 -15.911 9.465 1.00 47.14 N ATOM 0 H LYS A 133 8.574 -18.132 5.813 1.00 28.43 H new ATOM 0 HA LYS A 133 8.600 -15.557 5.325 1.00 30.94 H new ATOM 0 HB2 LYS A 133 9.540 -16.847 7.252 1.00 33.85 H new ATOM 0 HB3 LYS A 133 10.840 -16.869 6.390 1.00 33.85 H new ATOM 0 HG2 LYS A 133 10.893 -14.504 6.423 1.00 39.75 H new ATOM 0 HG3 LYS A 133 9.605 -14.492 7.301 1.00 39.75 H new ATOM 0 HD2 LYS A 133 12.163 -15.387 8.130 1.00 41.91 H new ATOM 0 HD3 LYS A 133 11.356 -14.215 8.769 1.00 41.91 H new ATOM 0 HE2 LYS A 133 10.880 -16.969 9.115 1.00 45.77 H new ATOM 0 HE3 LYS A 133 11.057 -15.907 10.244 1.00 45.77 H new ATOM 0 HZ1 LYS A 133 8.897 -16.258 10.233 1.00 47.14 H new ATOM 0 HZ2 LYS A 133 8.967 -15.048 9.432 1.00 47.14 H new ATOM 0 HZ3 LYS A 133 8.797 -16.338 8.786 1.00 47.14 H new ATOM 968 N LYS A 134 10.777 -17.337 3.751 1.00 31.91 N ATOM 969 CA LYS A 134 11.661 -17.401 2.581 1.00 34.17 C ATOM 970 C LYS A 134 10.924 -17.095 1.287 1.00 32.82 C ATOM 971 O LYS A 134 11.483 -16.478 0.386 1.00 32.74 O ATOM 972 CB LYS A 134 12.301 -18.784 2.441 1.00 36.20 C ATOM 973 CG LYS A 134 13.459 -19.039 3.374 1.00 41.71 C ATOM 974 CD LYS A 134 14.318 -20.196 2.867 1.00 46.39 C ATOM 975 CE LYS A 134 15.665 -20.254 3.603 1.00 49.11 C ATOM 976 NZ LYS A 134 16.697 -21.082 2.884 1.00 49.94 N ATOM 0 H LYS A 134 10.748 -18.063 4.211 1.00 31.91 H new ATOM 0 HA LYS A 134 12.344 -16.728 2.730 1.00 34.17 H new ATOM 0 HB2 LYS A 134 11.622 -19.459 2.596 1.00 36.20 H new ATOM 0 HB3 LYS A 134 12.607 -18.895 1.527 1.00 36.20 H new ATOM 0 HG2 LYS A 134 14.000 -18.238 3.451 1.00 41.71 H new ATOM 0 HG3 LYS A 134 13.126 -19.243 4.262 1.00 41.71 H new ATOM 0 HD2 LYS A 134 13.843 -21.033 2.991 1.00 46.39 H new ATOM 0 HD3 LYS A 134 14.471 -20.095 1.915 1.00 46.39 H new ATOM 0 HE2 LYS A 134 16.004 -19.352 3.717 1.00 49.11 H new ATOM 0 HE3 LYS A 134 15.527 -20.619 4.491 1.00 49.11 H new ATOM 0 HZ1 LYS A 134 17.455 -21.083 3.350 1.00 49.94 H new ATOM 0 HZ2 LYS A 134 16.401 -21.917 2.798 1.00 49.94 H new ATOM 0 HZ3 LYS A 134 16.846 -20.736 2.077 1.00 49.94 H new ATOM 977 N GLU A 135 9.672 -17.539 1.197 1.00 30.46 N ATOM 978 CA GLU A 135 8.867 -17.320 -0.002 1.00 28.58 C ATOM 979 C GLU A 135 8.151 -15.979 0.044 1.00 28.07 C ATOM 980 O GLU A 135 7.441 -15.612 -0.890 1.00 27.13 O ATOM 981 CB GLU A 135 7.842 -18.449 -0.159 1.00 25.62 C ATOM 982 CG GLU A 135 8.473 -19.838 -0.281 1.00 22.98 C ATOM 983 CD GLU A 135 7.438 -20.940 -0.337 1.00 20.96 C ATOM 984 OE1 GLU A 135 6.227 -20.646 -0.292 1.00 24.00 O ATOM 985 OE2 GLU A 135 7.827 -22.113 -0.427 1.00 25.75 O ATOM 0 H GLU A 135 9.269 -17.971 1.822 1.00 30.46 H new ATOM 0 HA GLU A 135 9.466 -17.315 -0.765 1.00 28.58 H new ATOM 0 HB2 GLU A 135 7.243 -18.440 0.604 1.00 25.62 H new ATOM 0 HB3 GLU A 135 7.301 -18.278 -0.946 1.00 25.62 H new ATOM 0 HG2 GLU A 135 9.021 -19.872 -1.080 1.00 22.98 H new ATOM 0 HG3 GLU A 135 9.063 -19.990 0.474 1.00 22.98 H new ATOM 986 N LYS A 136 8.339 -15.258 1.143 1.00 28.52 N ATOM 987 CA LYS A 136 7.726 -13.952 1.326 1.00 29.70 C ATOM 988 C LYS A 136 6.223 -13.984 1.049 1.00 29.74 C ATOM 989 O LYS A 136 5.670 -13.127 0.352 1.00 26.52 O ATOM 990 CB LYS A 136 8.440 -12.938 0.431 1.00 34.32 C ATOM 991 CG LYS A 136 9.914 -12.829 0.772 1.00 38.93 C ATOM 992 CD LYS A 136 10.634 -11.799 -0.080 1.00 45.41 C ATOM 993 CE LYS A 136 12.089 -11.647 0.376 1.00 48.55 C ATOM 994 NZ LYS A 136 12.888 -10.777 -0.543 1.00 51.10 N ATOM 0 H LYS A 136 8.826 -15.514 1.804 1.00 28.52 H new ATOM 0 HA LYS A 136 7.825 -13.686 2.254 1.00 29.70 H new ATOM 0 HB2 LYS A 136 8.341 -13.200 -0.498 1.00 34.32 H new ATOM 0 HB3 LYS A 136 8.020 -12.069 0.527 1.00 34.32 H new ATOM 0 HG2 LYS A 136 10.010 -12.594 1.708 1.00 38.93 H new ATOM 0 HG3 LYS A 136 10.335 -13.695 0.653 1.00 38.93 H new ATOM 0 HD2 LYS A 136 10.608 -12.067 -1.012 1.00 45.41 H new ATOM 0 HD3 LYS A 136 10.179 -10.945 -0.018 1.00 45.41 H new ATOM 0 HE2 LYS A 136 12.107 -11.271 1.270 1.00 48.55 H new ATOM 0 HE3 LYS A 136 12.502 -12.523 0.428 1.00 48.55 H new ATOM 0 HZ1 LYS A 136 13.723 -10.716 -0.242 1.00 51.10 H new ATOM 0 HZ2 LYS A 136 12.892 -11.132 -1.359 1.00 51.10 H new ATOM 0 HZ3 LYS A 136 12.524 -9.965 -0.575 1.00 51.10 H new ATOM 995 N LEU A 137 5.570 -14.987 1.626 1.00 28.66 N ATOM 996 CA LEU A 137 4.140 -15.183 1.471 1.00 29.40 C ATOM 997 C LEU A 137 3.299 -14.325 2.407 1.00 29.11 C ATOM 998 O LEU A 137 3.569 -14.235 3.605 1.00 29.34 O ATOM 999 CB LEU A 137 3.783 -16.659 1.707 1.00 29.68 C ATOM 1000 CG LEU A 137 3.977 -17.636 0.549 1.00 28.26 C ATOM 1001 CD1 LEU A 137 3.562 -19.041 0.981 1.00 29.76 C ATOM 1002 CD2 LEU A 137 3.123 -17.191 -0.618 1.00 29.61 C ATOM 0 H LEU A 137 5.951 -15.577 2.123 1.00 28.66 H new ATOM 0 HA LEU A 137 3.932 -14.911 0.563 1.00 29.40 H new ATOM 0 HB2 LEU A 137 4.311 -16.977 2.456 1.00 29.68 H new ATOM 0 HB3 LEU A 137 2.853 -16.700 1.978 1.00 29.68 H new ATOM 0 HG LEU A 137 4.911 -17.649 0.288 1.00 28.26 H new ATOM 0 HD11 LEU A 137 3.687 -19.657 0.242 1.00 29.76 H new ATOM 0 HD12 LEU A 137 4.107 -19.323 1.732 1.00 29.76 H new ATOM 0 HD13 LEU A 137 2.628 -19.037 1.243 1.00 29.76 H new ATOM 0 HD21 LEU A 137 3.240 -17.807 -1.358 1.00 29.61 H new ATOM 0 HD22 LEU A 137 2.190 -17.181 -0.351 1.00 29.61 H new ATOM 0 HD23 LEU A 137 3.390 -16.300 -0.893 1.00 29.61 H new ATOM 1003 N ASN A 138 2.275 -13.708 1.833 1.00 30.78 N ATOM 1004 CA ASN A 138 1.327 -12.872 2.562 1.00 32.31 C ATOM 1005 C ASN A 138 1.918 -12.019 3.675 1.00 34.09 C ATOM 1006 O ASN A 138 2.551 -11.004 3.411 1.00 33.98 O ATOM 1007 CB ASN A 138 0.213 -13.768 3.096 1.00 31.78 C ATOM 1008 CG ASN A 138 -0.499 -14.508 1.979 1.00 32.31 C ATOM 1009 OD1 ASN A 138 -1.060 -13.886 1.084 1.00 33.38 O ATOM 1010 ND2 ASN A 138 -0.462 -15.830 2.012 1.00 29.69 N ATOM 0 H ASN A 138 2.107 -13.764 0.991 1.00 30.78 H new ATOM 0 HA ASN A 138 0.991 -12.219 1.928 1.00 32.31 H new ATOM 0 HB2 ASN A 138 0.585 -14.408 3.722 1.00 31.78 H new ATOM 0 HB3 ASN A 138 -0.427 -13.230 3.587 1.00 31.78 H new ATOM 0 HD21 ASN A 138 -0.841 -16.286 1.389 1.00 29.69 H new ATOM 0 HD22 ASN A 138 -0.059 -16.233 2.656 1.00 29.69 H new ATOM 1011 N ILE A 139 1.714 -12.428 4.922 1.00 35.66 N ATOM 1012 CA ILE A 139 2.233 -11.668 6.052 1.00 37.83 C ATOM 1013 C ILE A 139 3.709 -11.320 5.892 1.00 38.24 C ATOM 1014 O ILE A 139 4.156 -10.289 6.380 1.00 39.02 O ATOM 1015 CB ILE A 139 2.044 -12.440 7.376 1.00 38.91 C ATOM 1016 CG1 ILE A 139 0.575 -12.419 7.789 1.00 39.12 C ATOM 1017 CG2 ILE A 139 2.882 -11.822 8.468 1.00 40.98 C ATOM 1018 CD1 ILE A 139 0.289 -13.288 9.022 1.00 41.28 C ATOM 0 H ILE A 139 1.280 -13.139 5.135 1.00 35.66 H new ATOM 0 HA ILE A 139 1.724 -10.843 6.076 1.00 37.83 H new ATOM 0 HB ILE A 139 2.327 -13.358 7.240 1.00 38.91 H new ATOM 0 HG12 ILE A 139 0.309 -11.505 7.974 1.00 39.12 H new ATOM 0 HG13 ILE A 139 0.031 -12.728 7.048 1.00 39.12 H new ATOM 0 HG21 ILE A 139 2.754 -12.316 9.293 1.00 40.98 H new ATOM 0 HG22 ILE A 139 3.818 -11.853 8.215 1.00 40.98 H new ATOM 0 HG23 ILE A 139 2.614 -10.899 8.599 1.00 40.98 H new ATOM 0 HD11 ILE A 139 -0.655 -13.239 9.241 1.00 41.28 H new ATOM 0 HD12 ILE A 139 0.529 -14.208 8.832 1.00 41.28 H new ATOM 0 HD13 ILE A 139 0.812 -12.966 9.773 1.00 41.28 H new ATOM 1019 N TRP A 140 4.461 -12.181 5.211 1.00 38.28 N ATOM 1020 CA TRP A 140 5.885 -11.952 4.999 1.00 38.95 C ATOM 1021 C TRP A 140 6.169 -11.186 3.707 1.00 41.12 C ATOM 1022 O TRP A 140 7.315 -11.118 3.268 1.00 40.43 O ATOM 1023 CB TRP A 140 6.634 -13.286 4.987 1.00 38.28 C ATOM 1024 CG TRP A 140 6.366 -14.102 6.207 1.00 39.50 C ATOM 1025 CD1 TRP A 140 5.700 -15.296 6.270 1.00 38.01 C ATOM 1026 CD2 TRP A 140 6.732 -13.774 7.552 1.00 40.04 C ATOM 1027 NE1 TRP A 140 5.630 -15.731 7.571 1.00 37.64 N ATOM 1028 CE2 TRP A 140 6.254 -14.818 8.380 1.00 39.98 C ATOM 1029 CE3 TRP A 140 7.414 -12.696 8.141 1.00 40.38 C ATOM 1030 CZ2 TRP A 140 6.439 -14.819 9.771 1.00 40.30 C ATOM 1031 CZ3 TRP A 140 7.599 -12.694 9.524 1.00 41.25 C ATOM 1032 CH2 TRP A 140 7.112 -13.752 10.324 1.00 42.08 C ATOM 0 H TRP A 140 4.162 -12.908 4.862 1.00 38.28 H new ATOM 0 HA TRP A 140 6.198 -11.403 5.735 1.00 38.95 H new ATOM 0 HB2 TRP A 140 6.376 -13.791 4.200 1.00 38.28 H new ATOM 0 HB3 TRP A 140 7.587 -13.118 4.917 1.00 38.28 H new ATOM 0 HD1 TRP A 140 5.346 -15.747 5.538 1.00 38.01 H new ATOM 0 HE1 TRP A 140 5.255 -16.459 7.835 1.00 37.64 H new ATOM 0 HE3 TRP A 140 7.736 -11.997 7.619 1.00 40.38 H new ATOM 0 HZ2 TRP A 140 6.119 -15.514 10.300 1.00 40.30 H new ATOM 0 HZ3 TRP A 140 8.049 -11.986 9.925 1.00 41.25 H new ATOM 0 HH2 TRP A 140 7.249 -13.727 11.244 1.00 42.08 H new ATOM 1033 N SER A 141 5.123 -10.612 3.106 1.00 43.79 N ATOM 1034 CA SER A 141 5.254 -9.827 1.876 1.00 46.12 C ATOM 1035 C SER A 141 6.130 -8.608 2.124 1.00 47.49 C ATOM 1036 O SER A 141 6.246 -8.194 3.297 1.00 48.88 O ATOM 1037 CB SER A 141 3.891 -9.322 1.400 1.00 45.90 C ATOM 1038 OG SER A 141 3.060 -10.368 0.956 1.00 48.84 O ATOM 0 H SER A 141 4.317 -10.667 3.401 1.00 43.79 H new ATOM 0 HA SER A 141 5.647 -10.406 1.204 1.00 46.12 H new ATOM 0 HB2 SER A 141 3.453 -8.849 2.124 1.00 45.90 H new ATOM 0 HB3 SER A 141 4.018 -8.684 0.680 1.00 45.90 H new ATOM 0 HG SER A 141 2.624 -10.675 1.605 1.00 48.84 H new TER 1039 SER A 141 HETATM 1040 O HOH A 150 -3.701 -29.062 24.568 1.00 15.87 O HETATM 1041 O HOH A 151 -6.798 -35.434 21.810 1.00 25.13 O HETATM 1042 O HOH A 152 -16.243 -33.997 11.206 1.00 24.55 O HETATM 1043 O HOH A 153 1.516 -23.567 23.216 1.00 24.36 O HETATM 1044 O HOH A 154 -17.503 -31.199 10.230 1.00 30.13 O HETATM 1045 O HOH A 155 4.036 -18.022 8.528 1.00 18.52 O HETATM 1046 O HOH A 156 -4.784 -22.391 30.754 1.00 27.44 O HETATM 1047 O HOH A 157 8.310 -29.387 18.529 1.00 31.64 O HETATM 1048 O HOH A 158 1.847 -31.384 31.248 1.00 33.93 O HETATM 1049 O HOH A 159 -8.484 -13.913 11.294 1.00 32.87 O HETATM 1050 O HOH A 160 -15.667 -23.587 24.856 1.00 38.02 O HETATM 1051 O HOH A 161 -19.495 -34.535 19.115 1.00 41.79 O HETATM 1052 O HOH A 162 -16.426 -30.196 7.951 1.00 33.65 O HETATM 1053 O HOH A 163 -8.977 -34.947 9.939 1.00 24.37 O HETATM 1054 O HOH A 164 -1.106 -28.889 7.047 1.00 33.92 O HETATM 1055 O HOH A 165 -15.240 -19.866 25.572 1.00 37.38 O HETATM 1056 O HOH A 166 -18.550 -35.385 16.310 1.00 42.45 O HETATM 1057 O HOH A 167 13.502 -14.697 -0.305 1.00 40.48 O HETATM 1058 O HOH A 168 0.367 -21.327 21.682 1.00 26.98 O HETATM 1059 O HOH A 169 2.237 -13.106 -1.035 1.00 40.82 O HETATM 1060 O HOH A 170 7.428 -30.877 15.644 1.00 30.58 O HETATM 1061 O HOH A 171 5.316 -23.653 28.584 1.00 34.36 O HETATM 1062 O HOH A 172 -10.154 -29.340 3.874 1.00 35.81 O HETATM 1063 O HOH A 173 -1.502 -8.126 10.409 1.00 42.77 O HETATM 1064 O HOH A 174 -18.416 -33.926 7.770 1.00 34.75 O HETATM 1065 O HOH A 175 -12.864 -18.539 10.054 1.00 38.67 O HETATM 1066 O HOH A 176 -4.472 -14.943 16.850 1.00 34.57 O HETATM 1067 O HOH A 177 7.972 -19.861 22.814 1.00 40.67 O HETATM 1068 O HOH A 178 -0.566 -31.505 8.367 1.00 40.72 O HETATM 1069 O HOH A 179 12.002 -24.749 6.914 1.00 32.41 O HETATM 1070 O HOH A 180 6.864 -16.217 14.917 1.00 35.14 O HETATM 1071 O HOH A 181 -2.743 -21.360 33.614 1.00 36.91 O HETATM 1072 O HOH A 182 -7.808 -30.592 4.420 1.00 35.76 O HETATM 1073 O HOH A 183 6.042 -28.073 8.478 1.00 36.40 O HETATM 1074 O HOH A 184 -4.207 -35.943 22.719 1.00 45.66 O HETATM 1075 O HOH A 185 5.469 -32.662 15.169 1.00 41.58 O HETATM 1076 O HOH A 186 -8.324 -11.660 20.745 1.00 42.43 O HETATM 1077 O HOH A 187 -5.065 -18.258 28.863 1.00 41.12 O HETATM 1078 O HOH A 188 0.099 -12.673 13.127 1.00 43.69 O HETATM 1079 O HOH A 189 -7.799 -16.911 2.386 1.00 40.57 O END