USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 18-MAY-07 2PZT TITLE CRYSTAL STRUCTURE OF STAPHYLOCOCCAL NUCLEASE VARIANT TITLE 2 V66Q/P117G/H124L/S128A AT 100 K 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 2PZT 1 VERSN REVDAT 1 20-MAY-08 2PZT 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) (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 8509 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) : 0.207 REMARK 3 FREE R VALUE : 0.249 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.600 REMARK 3 FREE R VALUE TEST SET COUNT : 900 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) : 2.14 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2220 REMARK 3 BIN FREE R VALUE : 0.2610 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : 40 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 : 1039 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 5 REMARK 3 SOLVENT ATOMS : 69 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 26.14 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -2.53500 REMARK 3 B22 (A**2) : -2.53500 REMARK 3 B33 (A**2) : 5.07100 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) : 1.338 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.058 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.259 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.280 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 46.64 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 2PZT 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 RCSB042970. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 22-MAR-06 REMARK 200 TEMPERATURE (KELVIN) : 100 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 : 8548 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 : 12.520 REMARK 200 R MERGE (I) : 0.02360 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 36.7300 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 : 8.94 REMARK 200 R MERGE FOR SHELL (I) : 0.13340 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 7.030 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: STAPHYLOCCOCAL 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 (%): 43.87 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.19 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 37% 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 ASP A 19 -161.67 -160.64 REMARK 500 LEU A 38 14.58 57.06 REMARK 500 ASN A 138 -105.84 38.70 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 251 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: 2PZU RELATED DB: PDB REMARK 900 RELATED ID: 2PZW RELATED DB: PDB DBREF 2PZT A 1 149 UNP Q8NXI6 NUC_STAAW 80 228 SEQADV 2PZT GLN A 66 UNP Q8NXI6 VAL 145 ENGINEERED SEQADV 2PZT GLY A 117 UNP Q8NXI6 PRO 196 ENGINEERED SEQADV 2PZT 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 GLN 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 HET PO4 A 251 5 HETNAM PO4 PHOSPHATE ION FORMUL 2 PO4 O4 P 3- FORMUL 3 HOH *69(H2 O) HELIX 1 1 TYR A 54 ALA A 69 1 16 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 75 O TYR A 91 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 SITE *** AC1 4 ARG A 35 LYS A 71 ARG A 87 HOH A 317 CRYST1 48.285 48.285 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 0.020710 0.000000 0.000000 0.00000 SCALE2 0.000000 0.020710 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 -169:sc= 2.28 USER MOD Set 1.2: A 98 MET CE :methyl 178:sc= -0.0768 (180deg=-0.0184) USER MOD Set 1.3: A 121 HIS : no HD1:sc= -1.84 K(o=0.36,f=1.9) USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 141 SER OG : rot 73:sc= 1.38 USER MOD Set 3.1: A 27 TYR OH : rot 4:sc= 1.17 USER MOD Set 3.2: A 28 LYS NZ :NH3+ 153:sc= 0.245 (180deg=-0.556) USER MOD Single : A 8 HIS : no HD1:sc= 0.911 K(o=0.91,f=-0.2) USER MOD Single : A 9 LYS NZ :NH3+ -131:sc= 1.35 (180deg=-0.653) USER MOD Single : A 13 THR OG1 : rot 66:sc= 1.04 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 69:sc= 1.02 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.201 X(o=0.2,f=-0.065) USER MOD Single : A 32 MET CE :methyl -162:sc= -1.81 (180deg=-2.78) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= 0.0339 (180deg=-0.314) USER MOD Single : A 59 SER OG : rot 15:sc= 1.29 USER MOD Single : A 62 THR OG1 : rot -176:sc= 1.29 USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= 1.27 (180deg=0.364) 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 GLN : amide:sc= 0.898 K(o=0.9,f=0.039) USER MOD Single : A 68 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.3) 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 78 LYS NZ :NH3+ 147:sc= 0.292 (180deg=-1.5!) USER MOD Single : A 80 GLN : amide:sc= -0.682 K(o=-0.68,f=0.93) 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 USER MOD Single : A 91 TYR OH : rot 165:sc= 1.58 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0.992 K(o=0.99,f=-7.4!) USER MOD Single : A 106 GLN : amide:sc= -0.934! K(o=-0.93!,f=0.28) 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 -131:sc= 2.11 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -1.42! C(o=-1.4!,f=-8.8!) USER MOD Single : A 119 ASN : amide:sc= -1.11 K(o=-1.1,f=-5!) USER MOD Single : A 120 THR OG1 : rot 79:sc= 1.34 USER MOD Single : A 123 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.38) USER MOD Single : A 127 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.112) USER MOD Single : A 131 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.18) USER MOD Single : A 133 LYS NZ :NH3+ -106:sc= 0.616 (180deg=-0.0716) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -166:sc= -0.0282 (180deg=-0.126) USER MOD Single : A 138 ASN : amide:sc= 0.311 K(o=0.31,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 -0.055 -37.950 -21.823 1.00 34.61 N ATOM 2 CA LEU A 7 1.189 -37.164 -21.552 1.00 33.14 C ATOM 3 C LEU A 7 2.132 -37.961 -20.671 1.00 32.54 C ATOM 4 O LEU A 7 1.693 -38.788 -19.876 1.00 33.03 O ATOM 5 CB LEU A 7 0.851 -35.856 -20.832 1.00 29.97 C ATOM 6 CG LEU A 7 -0.123 -34.933 -21.541 1.00 29.83 C ATOM 7 CD1 LEU A 7 -0.253 -33.654 -20.740 1.00 27.82 C ATOM 8 CD2 LEU A 7 0.369 -34.663 -22.967 1.00 27.83 C ATOM 0 HA LEU A 7 1.611 -36.972 -22.404 1.00 33.14 H new ATOM 0 HB2 LEU A 7 0.485 -36.074 -19.960 1.00 29.97 H new ATOM 0 HB3 LEU A 7 1.676 -35.370 -20.680 1.00 29.97 H new ATOM 0 HG LEU A 7 -0.999 -35.345 -21.606 1.00 29.83 H new ATOM 0 HD11 LEU A 7 -0.874 -33.056 -21.184 1.00 27.82 H new ATOM 0 HD12 LEU A 7 -0.583 -33.860 -19.852 1.00 27.82 H new ATOM 0 HD13 LEU A 7 0.615 -33.226 -20.671 1.00 27.82 H new ATOM 0 HD21 LEU A 7 -0.255 -34.073 -23.418 1.00 27.83 H new ATOM 0 HD22 LEU A 7 1.243 -34.244 -22.934 1.00 27.83 H new ATOM 0 HD23 LEU A 7 0.430 -35.501 -23.452 1.00 27.83 H new ATOM 9 N HIS A 8 3.429 -37.719 -20.811 1.00 31.75 N ATOM 10 CA HIS A 8 4.374 -38.421 -19.970 1.00 31.41 C ATOM 11 C HIS A 8 5.430 -37.495 -19.386 1.00 29.20 C ATOM 12 O HIS A 8 5.824 -36.504 -19.996 1.00 27.45 O ATOM 13 CB HIS A 8 5.023 -39.588 -20.725 1.00 34.16 C ATOM 14 CG HIS A 8 6.079 -39.184 -21.700 1.00 37.02 C ATOM 15 ND1 HIS A 8 5.839 -38.323 -22.749 1.00 40.09 N ATOM 16 CD2 HIS A 8 7.376 -39.559 -21.810 1.00 38.97 C ATOM 17 CE1 HIS A 8 6.942 -38.187 -23.465 1.00 40.69 C ATOM 18 NE2 HIS A 8 7.890 -38.927 -22.917 1.00 41.09 N ATOM 0 H HIS A 8 3.772 -37.166 -21.373 1.00 31.75 H new ATOM 0 HA HIS A 8 3.871 -38.782 -19.223 1.00 31.41 H new ATOM 0 HB2 HIS A 8 5.411 -40.200 -20.080 1.00 34.16 H new ATOM 0 HB3 HIS A 8 4.332 -40.076 -21.198 1.00 34.16 H new ATOM 0 HD2 HIS A 8 7.833 -40.136 -21.242 1.00 38.97 H new ATOM 0 HE1 HIS A 8 7.035 -37.660 -24.226 1.00 40.69 H new ATOM 0 HE2 HIS A 8 8.697 -39.001 -23.206 1.00 41.09 H new ATOM 19 N LYS A 9 5.852 -37.821 -18.174 1.00 26.80 N ATOM 20 CA LYS A 9 6.857 -37.058 -17.476 1.00 26.21 C ATOM 21 C LYS A 9 8.242 -37.559 -17.864 1.00 26.32 C ATOM 22 O LYS A 9 8.481 -38.767 -17.973 1.00 26.14 O ATOM 23 CB LYS A 9 6.639 -37.185 -15.971 1.00 25.45 C ATOM 24 CG LYS A 9 5.308 -36.613 -15.521 1.00 24.41 C ATOM 25 CD LYS A 9 5.068 -36.842 -14.048 1.00 26.26 C ATOM 26 CE LYS A 9 3.687 -36.395 -13.640 1.00 25.66 C ATOM 27 NZ LYS A 9 3.510 -36.500 -12.163 1.00 32.58 N ATOM 0 H LYS A 9 5.557 -38.498 -17.734 1.00 26.80 H new ATOM 0 HA LYS A 9 6.788 -36.122 -17.722 1.00 26.21 H new ATOM 0 HB2 LYS A 9 6.686 -38.121 -15.719 1.00 25.45 H new ATOM 0 HB3 LYS A 9 7.357 -36.729 -15.505 1.00 25.45 H new ATOM 0 HG2 LYS A 9 5.285 -35.662 -15.708 1.00 24.41 H new ATOM 0 HG3 LYS A 9 4.591 -37.020 -16.033 1.00 24.41 H new ATOM 0 HD2 LYS A 9 5.179 -37.784 -13.843 1.00 26.26 H new ATOM 0 HD3 LYS A 9 5.732 -36.359 -13.531 1.00 26.26 H new ATOM 0 HE2 LYS A 9 3.543 -35.478 -13.923 1.00 25.66 H new ATOM 0 HE3 LYS A 9 3.021 -36.939 -14.089 1.00 25.66 H new ATOM 0 HZ1 LYS A 9 2.748 -36.924 -11.984 1.00 32.58 H new ATOM 0 HZ2 LYS A 9 4.191 -36.954 -11.814 1.00 32.58 H new ATOM 0 HZ3 LYS A 9 3.485 -35.684 -11.808 1.00 32.58 H new ATOM 28 N GLU A 10 9.149 -36.619 -18.095 1.00 24.51 N ATOM 29 CA GLU A 10 10.509 -36.955 -18.470 1.00 22.92 C ATOM 30 C GLU A 10 11.417 -36.316 -17.420 1.00 24.04 C ATOM 31 O GLU A 10 11.084 -35.275 -16.850 1.00 22.73 O ATOM 32 CB GLU A 10 10.818 -36.407 -19.869 1.00 22.85 C ATOM 33 CG GLU A 10 9.865 -36.939 -20.954 1.00 24.04 C ATOM 34 CD GLU A 10 9.988 -36.212 -22.286 1.00 25.29 C ATOM 35 OE1 GLU A 10 8.942 -35.795 -22.835 1.00 28.43 O ATOM 36 OE2 GLU A 10 11.114 -36.061 -22.794 1.00 24.65 O ATOM 0 H GLU A 10 8.993 -35.775 -18.039 1.00 24.51 H new ATOM 0 HA GLU A 10 10.645 -37.915 -18.502 1.00 22.92 H new ATOM 0 HB2 GLU A 10 10.767 -35.439 -19.849 1.00 22.85 H new ATOM 0 HB3 GLU A 10 11.730 -36.638 -20.106 1.00 22.85 H new ATOM 0 HG2 GLU A 10 10.040 -37.883 -21.092 1.00 24.04 H new ATOM 0 HG3 GLU A 10 8.952 -36.863 -20.636 1.00 24.04 H new ATOM 37 N PRO A 11 12.557 -36.957 -17.125 1.00 23.01 N ATOM 38 CA PRO A 11 13.493 -36.427 -16.136 1.00 21.94 C ATOM 39 C PRO A 11 14.176 -35.162 -16.646 1.00 19.41 C ATOM 40 O PRO A 11 14.298 -34.944 -17.846 1.00 18.44 O ATOM 41 CB PRO A 11 14.480 -37.578 -15.941 1.00 23.50 C ATOM 42 CG PRO A 11 14.535 -38.208 -17.316 1.00 25.80 C ATOM 43 CD PRO A 11 13.048 -38.226 -17.703 1.00 24.70 C ATOM 0 HA PRO A 11 13.068 -36.158 -15.307 1.00 21.94 H new ATOM 0 HB2 PRO A 11 15.351 -37.261 -15.655 1.00 23.50 H new ATOM 0 HB3 PRO A 11 14.172 -38.206 -15.269 1.00 23.50 H new ATOM 0 HG2 PRO A 11 15.067 -37.686 -17.936 1.00 25.80 H new ATOM 0 HG3 PRO A 11 14.918 -39.099 -17.294 1.00 25.80 H new ATOM 0 HD2 PRO A 11 12.925 -38.257 -18.665 1.00 24.70 H new ATOM 0 HD3 PRO A 11 12.587 -38.995 -17.333 1.00 24.70 H new ATOM 44 N ALA A 12 14.594 -34.322 -15.717 1.00 19.16 N ATOM 45 CA ALA A 12 15.291 -33.089 -16.049 1.00 18.64 C ATOM 46 C ALA A 12 16.097 -32.696 -14.820 1.00 18.18 C ATOM 47 O ALA A 12 15.847 -33.206 -13.722 1.00 16.41 O ATOM 48 CB ALA A 12 14.299 -32.001 -16.399 1.00 18.30 C ATOM 0 H ALA A 12 14.483 -34.448 -14.874 1.00 19.16 H new ATOM 0 HA ALA A 12 15.869 -33.213 -16.818 1.00 18.64 H new ATOM 0 HB1 ALA A 12 14.777 -31.186 -16.618 1.00 18.30 H new ATOM 0 HB2 ALA A 12 13.769 -32.279 -17.162 1.00 18.30 H new ATOM 0 HB3 ALA A 12 13.715 -31.840 -15.642 1.00 18.30 H new ATOM 49 N THR A 13 17.075 -31.811 -15.012 1.00 17.59 N ATOM 50 CA THR A 13 17.900 -31.339 -13.906 1.00 18.07 C ATOM 51 C THR A 13 17.839 -29.832 -13.877 1.00 16.73 C ATOM 52 O THR A 13 18.023 -29.182 -14.897 1.00 18.59 O ATOM 53 CB THR A 13 19.379 -31.708 -14.086 1.00 16.93 C ATOM 54 OG1 THR A 13 19.489 -33.103 -14.313 1.00 17.66 O ATOM 55 CG2 THR A 13 20.190 -31.306 -12.850 1.00 16.73 C ATOM 0 H THR A 13 17.275 -31.473 -15.777 1.00 17.59 H new ATOM 0 HA THR A 13 17.562 -31.751 -13.095 1.00 18.07 H new ATOM 0 HB THR A 13 19.735 -31.227 -14.849 1.00 16.93 H new ATOM 0 HG1 THR A 13 19.135 -33.296 -15.050 1.00 17.66 H new ATOM 0 HG21 THR A 13 21.121 -31.546 -12.981 1.00 16.73 H new ATOM 0 HG22 THR A 13 20.120 -30.348 -12.714 1.00 16.73 H new ATOM 0 HG23 THR A 13 19.844 -31.769 -12.071 1.00 16.73 H new ATOM 56 N LEU A 14 17.603 -29.269 -12.712 1.00 17.89 N ATOM 57 CA LEU A 14 17.547 -27.827 -12.610 1.00 20.12 C ATOM 58 C LEU A 14 18.952 -27.259 -12.858 1.00 22.36 C ATOM 59 O LEU A 14 19.947 -27.729 -12.290 1.00 21.60 O ATOM 60 CB LEU A 14 17.068 -27.439 -11.219 1.00 21.97 C ATOM 61 CG LEU A 14 16.676 -26.022 -10.774 1.00 26.25 C ATOM 62 CD1 LEU A 14 17.573 -25.624 -9.608 1.00 24.90 C ATOM 63 CD2 LEU A 14 16.749 -25.025 -11.907 1.00 26.49 C ATOM 0 H LEU A 14 17.474 -29.695 -11.976 1.00 17.89 H new ATOM 0 HA LEU A 14 16.931 -27.468 -13.268 1.00 20.12 H new ATOM 0 HB2 LEU A 14 16.294 -27.995 -11.041 1.00 21.97 H new ATOM 0 HB3 LEU A 14 17.767 -27.723 -10.610 1.00 21.97 H new ATOM 0 HG LEU A 14 15.749 -26.020 -10.489 1.00 26.25 H new ATOM 0 HD11 LEU A 14 17.341 -24.730 -9.311 1.00 24.90 H new ATOM 0 HD12 LEU A 14 17.450 -26.249 -8.877 1.00 24.90 H new ATOM 0 HD13 LEU A 14 18.500 -25.639 -9.893 1.00 24.90 H new ATOM 0 HD21 LEU A 14 16.494 -24.147 -11.583 1.00 26.49 H new ATOM 0 HD22 LEU A 14 17.655 -24.992 -12.251 1.00 26.49 H new ATOM 0 HD23 LEU A 14 16.144 -25.295 -12.616 1.00 26.49 H new ATOM 64 N ILE A 15 19.035 -26.275 -13.738 1.00 20.93 N ATOM 65 CA ILE A 15 20.301 -25.634 -13.987 1.00 22.74 C ATOM 66 C ILE A 15 20.196 -24.318 -13.243 1.00 23.29 C ATOM 67 O ILE A 15 21.061 -23.975 -12.437 1.00 23.04 O ATOM 68 CB ILE A 15 20.535 -25.318 -15.467 1.00 20.98 C ATOM 69 CG1 ILE A 15 20.782 -26.614 -16.247 1.00 20.84 C ATOM 70 CG2 ILE A 15 21.721 -24.339 -15.596 1.00 21.97 C ATOM 71 CD1 ILE A 15 21.117 -26.405 -17.705 1.00 17.86 C ATOM 0 H ILE A 15 18.374 -25.969 -14.195 1.00 20.93 H new ATOM 0 HA ILE A 15 21.030 -26.211 -13.710 1.00 22.74 H new ATOM 0 HB ILE A 15 19.748 -24.895 -15.846 1.00 20.98 H new ATOM 0 HG12 ILE A 15 21.508 -27.100 -15.825 1.00 20.84 H new ATOM 0 HG13 ILE A 15 19.992 -27.173 -16.184 1.00 20.84 H new ATOM 0 HG21 ILE A 15 21.873 -24.136 -16.532 1.00 21.97 H new ATOM 0 HG22 ILE A 15 21.519 -23.520 -15.117 1.00 21.97 H new ATOM 0 HG23 ILE A 15 22.518 -24.745 -15.220 1.00 21.97 H new ATOM 0 HD11 ILE A 15 21.259 -27.265 -18.131 1.00 17.86 H new ATOM 0 HD12 ILE A 15 20.384 -25.945 -18.143 1.00 17.86 H new ATOM 0 HD13 ILE A 15 21.923 -25.871 -17.779 1.00 17.86 H new ATOM 72 N LYS A 16 19.105 -23.602 -13.489 1.00 22.13 N ATOM 73 CA LYS A 16 18.926 -22.315 -12.861 1.00 24.34 C ATOM 74 C LYS A 16 17.504 -21.779 -12.871 1.00 24.01 C ATOM 75 O LYS A 16 16.838 -21.761 -13.906 1.00 23.87 O ATOM 76 CB LYS A 16 19.846 -21.313 -13.557 1.00 26.82 C ATOM 77 CG LYS A 16 19.554 -19.863 -13.277 1.00 30.75 C ATOM 78 CD LYS A 16 20.547 -18.977 -14.025 1.00 30.46 C ATOM 79 CE LYS A 16 20.339 -17.509 -13.696 1.00 34.68 C ATOM 80 NZ LYS A 16 21.318 -16.656 -14.448 1.00 37.01 N ATOM 0 H LYS A 16 18.467 -23.845 -14.011 1.00 22.13 H new ATOM 0 HA LYS A 16 19.145 -22.437 -11.924 1.00 24.34 H new ATOM 0 HB2 LYS A 16 20.761 -21.500 -13.293 1.00 26.82 H new ATOM 0 HB3 LYS A 16 19.792 -21.459 -14.514 1.00 26.82 H new ATOM 0 HG2 LYS A 16 18.648 -19.649 -13.550 1.00 30.75 H new ATOM 0 HG3 LYS A 16 19.611 -19.692 -12.324 1.00 30.75 H new ATOM 0 HD2 LYS A 16 21.452 -19.237 -13.794 1.00 30.46 H new ATOM 0 HD3 LYS A 16 20.448 -19.113 -14.980 1.00 30.46 H new ATOM 0 HE2 LYS A 16 19.433 -17.247 -13.923 1.00 34.68 H new ATOM 0 HE3 LYS A 16 20.445 -17.368 -12.742 1.00 34.68 H new ATOM 0 HZ1 LYS A 16 21.184 -15.800 -14.245 1.00 37.01 H new ATOM 0 HZ2 LYS A 16 22.148 -16.887 -14.223 1.00 37.01 H new ATOM 0 HZ3 LYS A 16 21.204 -16.774 -15.323 1.00 37.01 H new ATOM 81 N ALA A 17 17.041 -21.340 -11.710 1.00 23.59 N ATOM 82 CA ALA A 17 15.716 -20.742 -11.609 1.00 25.21 C ATOM 83 C ALA A 17 15.896 -19.359 -12.252 1.00 26.50 C ATOM 84 O ALA A 17 16.928 -18.718 -12.054 1.00 26.28 O ATOM 85 CB ALA A 17 15.323 -20.592 -10.145 1.00 25.40 C ATOM 0 H ALA A 17 17.476 -21.378 -10.969 1.00 23.59 H new ATOM 0 HA ALA A 17 15.024 -21.272 -12.035 1.00 25.21 H new ATOM 0 HB1 ALA A 17 14.441 -20.194 -10.086 1.00 25.40 H new ATOM 0 HB2 ALA A 17 15.312 -21.465 -9.722 1.00 25.40 H new ATOM 0 HB3 ALA A 17 15.965 -20.022 -9.694 1.00 25.40 H new ATOM 86 N ILE A 18 14.923 -18.909 -13.037 1.00 24.86 N ATOM 87 CA ILE A 18 15.041 -17.608 -13.670 1.00 25.50 C ATOM 88 C ILE A 18 14.007 -16.697 -13.019 1.00 27.57 C ATOM 89 O ILE A 18 14.353 -15.664 -12.448 1.00 27.65 O ATOM 90 CB ILE A 18 14.859 -17.721 -15.210 1.00 23.77 C ATOM 91 CG1 ILE A 18 16.047 -18.507 -15.805 1.00 25.07 C ATOM 92 CG2 ILE A 18 14.776 -16.349 -15.827 1.00 23.22 C ATOM 93 CD1 ILE A 18 15.946 -18.843 -17.300 1.00 23.25 C ATOM 0 H ILE A 18 14.198 -19.336 -13.212 1.00 24.86 H new ATOM 0 HA ILE A 18 15.926 -17.233 -13.541 1.00 25.50 H new ATOM 0 HB ILE A 18 14.033 -18.192 -15.404 1.00 23.77 H new ATOM 0 HG12 ILE A 18 16.857 -17.994 -15.660 1.00 25.07 H new ATOM 0 HG13 ILE A 18 16.144 -19.336 -15.311 1.00 25.07 H new ATOM 0 HG21 ILE A 18 14.663 -16.432 -16.787 1.00 23.22 H new ATOM 0 HG22 ILE A 18 14.020 -15.871 -15.453 1.00 23.22 H new ATOM 0 HG23 ILE A 18 15.592 -15.860 -15.639 1.00 23.22 H new ATOM 0 HD11 ILE A 18 16.736 -19.334 -17.576 1.00 23.25 H new ATOM 0 HD12 ILE A 18 15.157 -19.385 -17.457 1.00 23.25 H new ATOM 0 HD13 ILE A 18 15.881 -18.022 -17.813 1.00 23.25 H new ATOM 94 N ASP A 19 12.738 -17.063 -13.104 1.00 25.51 N ATOM 95 CA ASP A 19 11.722 -16.287 -12.421 1.00 25.83 C ATOM 96 C ASP A 19 10.469 -17.122 -12.256 1.00 24.49 C ATOM 97 O ASP A 19 10.526 -18.350 -12.334 1.00 21.95 O ATOM 98 CB ASP A 19 11.431 -14.955 -13.125 1.00 26.61 C ATOM 99 CG ASP A 19 10.857 -15.132 -14.491 1.00 27.26 C ATOM 100 OD1 ASP A 19 10.487 -14.110 -15.109 1.00 27.11 O ATOM 101 OD2 ASP A 19 10.774 -16.285 -14.943 1.00 27.52 O ATOM 0 H ASP A 19 12.449 -17.744 -13.543 1.00 25.51 H new ATOM 0 HA ASP A 19 12.060 -16.053 -11.542 1.00 25.83 H new ATOM 0 HB2 ASP A 19 10.814 -14.437 -12.585 1.00 26.61 H new ATOM 0 HB3 ASP A 19 12.252 -14.442 -13.188 1.00 26.61 H new ATOM 102 N GLY A 20 9.344 -16.479 -12.001 1.00 24.14 N ATOM 103 CA GLY A 20 8.128 -17.247 -11.806 1.00 23.49 C ATOM 104 C GLY A 20 7.715 -18.164 -12.945 1.00 22.53 C ATOM 105 O GLY A 20 7.474 -19.337 -12.729 1.00 24.03 O ATOM 0 H GLY A 20 9.261 -15.625 -11.938 1.00 24.14 H new ATOM 0 HA2 GLY A 20 8.234 -17.785 -11.006 1.00 23.49 H new ATOM 0 HA3 GLY A 20 7.401 -16.627 -11.637 1.00 23.49 H new ATOM 106 N ASP A 21 7.661 -17.648 -14.166 1.00 21.84 N ATOM 107 CA ASP A 21 7.185 -18.449 -15.292 1.00 21.46 C ATOM 108 C ASP A 21 8.243 -19.124 -16.165 1.00 18.52 C ATOM 109 O ASP A 21 7.901 -19.812 -17.117 1.00 16.22 O ATOM 110 CB ASP A 21 6.258 -17.583 -16.168 1.00 22.71 C ATOM 111 CG ASP A 21 7.006 -16.512 -16.948 1.00 25.46 C ATOM 112 OD1 ASP A 21 6.352 -15.625 -17.548 1.00 30.10 O ATOM 113 OD2 ASP A 21 8.250 -16.548 -16.973 1.00 30.93 O ATOM 0 H ASP A 21 7.892 -16.844 -14.366 1.00 21.84 H new ATOM 0 HA ASP A 21 6.720 -19.194 -14.881 1.00 21.46 H new ATOM 0 HB2 ASP A 21 5.782 -18.155 -16.790 1.00 22.71 H new ATOM 0 HB3 ASP A 21 5.592 -17.159 -15.604 1.00 22.71 H new ATOM 114 N THR A 22 9.513 -18.963 -15.813 1.00 17.79 N ATOM 115 CA THR A 22 10.594 -19.527 -16.609 1.00 19.36 C ATOM 116 C THR A 22 11.656 -20.204 -15.748 1.00 18.14 C ATOM 117 O THR A 22 11.912 -19.769 -14.625 1.00 19.00 O ATOM 118 CB THR A 22 11.236 -18.399 -17.459 1.00 21.17 C ATOM 119 OG1 THR A 22 10.238 -17.854 -18.339 1.00 24.50 O ATOM 120 CG2 THR A 22 12.377 -18.918 -18.284 1.00 21.82 C ATOM 0 H THR A 22 9.770 -18.530 -15.116 1.00 17.79 H new ATOM 0 HA THR A 22 10.219 -20.212 -17.184 1.00 19.36 H new ATOM 0 HB THR A 22 11.577 -17.719 -16.857 1.00 21.17 H new ATOM 0 HG1 THR A 22 9.662 -17.441 -17.888 1.00 24.50 H new ATOM 0 HG21 THR A 22 12.757 -18.192 -18.803 1.00 21.82 H new ATOM 0 HG22 THR A 22 13.057 -19.288 -17.700 1.00 21.82 H new ATOM 0 HG23 THR A 22 12.055 -19.610 -18.883 1.00 21.82 H new ATOM 121 N VAL A 23 12.266 -21.265 -16.277 1.00 15.56 N ATOM 122 CA VAL A 23 13.311 -21.999 -15.564 1.00 16.29 C ATOM 123 C VAL A 23 14.277 -22.652 -16.569 1.00 18.60 C ATOM 124 O VAL A 23 13.871 -23.031 -17.681 1.00 20.24 O ATOM 125 CB VAL A 23 12.677 -23.079 -14.622 1.00 17.20 C ATOM 126 CG1 VAL A 23 11.925 -24.109 -15.437 1.00 15.91 C ATOM 127 CG2 VAL A 23 13.753 -23.744 -13.771 1.00 14.60 C ATOM 0 H VAL A 23 12.086 -21.578 -17.057 1.00 15.56 H new ATOM 0 HA VAL A 23 13.812 -21.376 -15.015 1.00 16.29 H new ATOM 0 HB VAL A 23 12.049 -22.641 -14.027 1.00 17.20 H new ATOM 0 HG11 VAL A 23 11.538 -24.771 -14.844 1.00 15.91 H new ATOM 0 HG12 VAL A 23 11.219 -23.672 -15.939 1.00 15.91 H new ATOM 0 HG13 VAL A 23 12.536 -24.544 -16.052 1.00 15.91 H new ATOM 0 HG21 VAL A 23 13.345 -24.409 -13.194 1.00 14.60 H new ATOM 0 HG22 VAL A 23 14.403 -24.173 -14.349 1.00 14.60 H new ATOM 0 HG23 VAL A 23 14.196 -23.074 -13.228 1.00 14.60 H new ATOM 128 N LYS A 24 15.558 -22.751 -16.216 1.00 18.76 N ATOM 129 CA LYS A 24 16.521 -23.384 -17.121 1.00 20.71 C ATOM 130 C LYS A 24 16.818 -24.784 -16.623 1.00 19.49 C ATOM 131 O LYS A 24 17.215 -24.981 -15.481 1.00 18.07 O ATOM 132 CB LYS A 24 17.827 -22.594 -17.227 1.00 25.26 C ATOM 133 CG LYS A 24 18.840 -23.265 -18.191 1.00 28.43 C ATOM 134 CD LYS A 24 19.953 -22.314 -18.633 1.00 32.14 C ATOM 135 CE LYS A 24 19.394 -21.152 -19.452 1.00 35.40 C ATOM 136 NZ LYS A 24 20.474 -20.241 -19.948 1.00 38.56 N ATOM 0 H LYS A 24 15.886 -22.465 -15.474 1.00 18.76 H new ATOM 0 HA LYS A 24 16.125 -23.409 -18.006 1.00 20.71 H new ATOM 0 HB2 LYS A 24 17.635 -21.695 -17.536 1.00 25.26 H new ATOM 0 HB3 LYS A 24 18.226 -22.512 -16.347 1.00 25.26 H new ATOM 0 HG2 LYS A 24 19.234 -24.037 -17.755 1.00 28.43 H new ATOM 0 HG3 LYS A 24 18.369 -23.591 -18.974 1.00 28.43 H new ATOM 0 HD2 LYS A 24 20.417 -21.970 -17.853 1.00 32.14 H new ATOM 0 HD3 LYS A 24 20.606 -22.800 -19.160 1.00 32.14 H new ATOM 0 HE2 LYS A 24 18.895 -21.501 -20.207 1.00 35.40 H new ATOM 0 HE3 LYS A 24 18.770 -20.646 -18.909 1.00 35.40 H new ATOM 0 HZ1 LYS A 24 20.111 -19.579 -20.419 1.00 38.56 H new ATOM 0 HZ2 LYS A 24 20.919 -19.903 -19.255 1.00 38.56 H new ATOM 0 HZ3 LYS A 24 21.035 -20.699 -20.465 1.00 38.56 H new ATOM 137 N LEU A 25 16.626 -25.757 -17.500 1.00 17.67 N ATOM 138 CA LEU A 25 16.808 -27.150 -17.145 1.00 18.08 C ATOM 139 C LEU A 25 17.741 -27.889 -18.095 1.00 18.46 C ATOM 140 O LEU A 25 17.939 -27.471 -19.237 1.00 18.63 O ATOM 141 CB LEU A 25 15.434 -27.842 -17.182 1.00 17.21 C ATOM 142 CG LEU A 25 14.432 -28.044 -16.028 1.00 20.30 C ATOM 143 CD1 LEU A 25 14.669 -27.116 -14.871 1.00 13.40 C ATOM 144 CD2 LEU A 25 13.011 -27.915 -16.580 1.00 14.91 C ATOM 0 H LEU A 25 16.387 -25.627 -18.316 1.00 17.67 H new ATOM 0 HA LEU A 25 17.209 -27.176 -16.262 1.00 18.08 H new ATOM 0 HB2 LEU A 25 14.935 -27.373 -17.869 1.00 17.21 H new ATOM 0 HB3 LEU A 25 15.611 -28.734 -17.520 1.00 17.21 H new ATOM 0 HG LEU A 25 14.561 -28.934 -15.666 1.00 20.30 H new ATOM 0 HD11 LEU A 25 14.012 -27.288 -14.178 1.00 13.40 H new ATOM 0 HD12 LEU A 25 15.559 -27.263 -14.515 1.00 13.40 H new ATOM 0 HD13 LEU A 25 14.589 -26.197 -15.171 1.00 13.40 H new ATOM 0 HD21 LEU A 25 12.372 -28.041 -15.861 1.00 14.91 H new ATOM 0 HD22 LEU A 25 12.893 -27.033 -16.967 1.00 14.91 H new ATOM 0 HD23 LEU A 25 12.866 -28.589 -17.262 1.00 14.91 H new ATOM 145 N MET A 26 18.323 -28.985 -17.618 1.00 18.07 N ATOM 146 CA MET A 26 19.129 -29.821 -18.492 1.00 20.30 C ATOM 147 C MET A 26 18.066 -30.828 -18.880 1.00 21.43 C ATOM 148 O MET A 26 17.502 -31.498 -18.005 1.00 20.86 O ATOM 149 CB MET A 26 20.243 -30.559 -17.745 1.00 21.22 C ATOM 150 CG MET A 26 21.242 -31.264 -18.674 1.00 25.55 C ATOM 151 SD MET A 26 22.191 -30.085 -19.721 1.00 26.12 S ATOM 152 CE MET A 26 23.637 -29.814 -18.728 1.00 27.12 C ATOM 0 H MET A 26 18.264 -29.257 -16.804 1.00 18.07 H new ATOM 0 HA MET A 26 19.579 -29.335 -19.201 1.00 20.30 H new ATOM 0 HB2 MET A 26 20.722 -29.927 -17.187 1.00 21.22 H new ATOM 0 HB3 MET A 26 19.845 -31.216 -17.152 1.00 21.22 H new ATOM 0 HG2 MET A 26 21.860 -31.787 -18.140 1.00 25.55 H new ATOM 0 HG3 MET A 26 20.764 -31.886 -19.245 1.00 25.55 H new ATOM 0 HE1 MET A 26 24.230 -29.195 -19.182 1.00 27.12 H new ATOM 0 HE2 MET A 26 23.376 -29.442 -17.871 1.00 27.12 H new ATOM 0 HE3 MET A 26 24.096 -30.657 -18.587 1.00 27.12 H new ATOM 153 N TYR A 27 17.771 -30.915 -20.172 1.00 21.76 N ATOM 154 CA TYR A 27 16.753 -31.835 -20.663 1.00 22.48 C ATOM 155 C TYR A 27 17.393 -32.669 -21.772 1.00 24.05 C ATOM 156 O TYR A 27 17.929 -32.130 -22.740 1.00 23.13 O ATOM 157 CB TYR A 27 15.547 -31.033 -21.191 1.00 20.81 C ATOM 158 CG TYR A 27 14.511 -31.844 -21.954 1.00 20.19 C ATOM 159 CD1 TYR A 27 13.740 -32.820 -21.316 1.00 21.35 C ATOM 160 CD2 TYR A 27 14.340 -31.667 -23.328 1.00 21.06 C ATOM 161 CE1 TYR A 27 12.821 -33.614 -22.037 1.00 21.43 C ATOM 162 CE2 TYR A 27 13.428 -32.454 -24.059 1.00 19.72 C ATOM 163 CZ TYR A 27 12.682 -33.422 -23.410 1.00 22.03 C ATOM 164 OH TYR A 27 11.829 -34.229 -24.147 1.00 22.79 O ATOM 0 H TYR A 27 18.152 -30.446 -20.784 1.00 21.76 H new ATOM 0 HA TYR A 27 16.430 -32.419 -19.959 1.00 22.48 H new ATOM 0 HB2 TYR A 27 15.110 -30.602 -20.440 1.00 20.81 H new ATOM 0 HB3 TYR A 27 15.875 -30.328 -21.771 1.00 20.81 H new ATOM 0 HD1 TYR A 27 13.834 -32.949 -20.400 1.00 21.35 H new ATOM 0 HD2 TYR A 27 14.838 -31.017 -23.769 1.00 21.06 H new ATOM 0 HE1 TYR A 27 12.313 -34.259 -21.599 1.00 21.43 H new ATOM 0 HE2 TYR A 27 13.328 -32.323 -24.974 1.00 19.72 H new ATOM 0 HH TYR A 27 11.418 -34.749 -23.630 1.00 22.79 H new ATOM 165 N LYS A 28 17.332 -33.987 -21.626 1.00 24.68 N ATOM 166 CA LYS A 28 17.937 -34.882 -22.601 1.00 27.02 C ATOM 167 C LYS A 28 19.404 -34.503 -22.790 1.00 26.30 C ATOM 168 O LYS A 28 19.908 -34.514 -23.900 1.00 26.28 O ATOM 169 CB LYS A 28 17.212 -34.821 -23.956 1.00 27.36 C ATOM 170 CG LYS A 28 15.751 -35.293 -23.921 1.00 31.47 C ATOM 171 CD LYS A 28 15.479 -36.329 -25.000 1.00 34.99 C ATOM 172 CE LYS A 28 14.248 -35.974 -25.815 1.00 38.13 C ATOM 173 NZ LYS A 28 14.410 -34.619 -26.436 1.00 40.42 N ATOM 0 H LYS A 28 16.944 -34.383 -20.968 1.00 24.68 H new ATOM 0 HA LYS A 28 17.863 -35.789 -22.265 1.00 27.02 H new ATOM 0 HB2 LYS A 28 17.237 -33.908 -24.282 1.00 27.36 H new ATOM 0 HB3 LYS A 28 17.700 -35.364 -24.595 1.00 27.36 H new ATOM 0 HG2 LYS A 28 15.552 -35.670 -23.050 1.00 31.47 H new ATOM 0 HG3 LYS A 28 15.160 -34.533 -24.043 1.00 31.47 H new ATOM 0 HD2 LYS A 28 16.248 -36.396 -25.587 1.00 34.99 H new ATOM 0 HD3 LYS A 28 15.357 -37.200 -24.591 1.00 34.99 H new ATOM 0 HE2 LYS A 28 14.107 -36.639 -26.507 1.00 38.13 H new ATOM 0 HE3 LYS A 28 13.462 -35.985 -25.247 1.00 38.13 H new ATOM 0 HZ1 LYS A 28 13.924 -34.573 -27.180 1.00 40.42 H new ATOM 0 HZ2 LYS A 28 14.135 -33.995 -25.864 1.00 40.42 H new ATOM 0 HZ3 LYS A 28 15.267 -34.483 -26.633 1.00 40.42 H new ATOM 174 N GLY A 29 20.068 -34.134 -21.700 1.00 27.93 N ATOM 175 CA GLY A 29 21.484 -33.803 -21.765 1.00 28.00 C ATOM 176 C GLY A 29 21.885 -32.463 -22.352 1.00 28.53 C ATOM 177 O GLY A 29 23.069 -32.225 -22.573 1.00 28.64 O ATOM 0 H GLY A 29 19.718 -34.069 -20.917 1.00 27.93 H new ATOM 0 HA2 GLY A 29 21.840 -33.849 -20.864 1.00 28.00 H new ATOM 0 HA3 GLY A 29 21.926 -34.496 -22.281 1.00 28.00 H new ATOM 178 N GLN A 30 20.923 -31.587 -22.613 1.00 28.75 N ATOM 179 CA GLN A 30 21.236 -30.270 -23.156 1.00 28.43 C ATOM 180 C GLN A 30 20.508 -29.161 -22.398 1.00 26.72 C ATOM 181 O GLN A 30 19.342 -29.318 -22.028 1.00 24.48 O ATOM 182 CB GLN A 30 20.851 -30.192 -24.641 1.00 32.10 C ATOM 183 CG GLN A 30 21.759 -31.000 -25.578 1.00 36.54 C ATOM 184 CD GLN A 30 23.177 -30.445 -25.646 1.00 40.11 C ATOM 185 OE1 GLN A 30 23.434 -29.415 -26.290 1.00 40.68 O ATOM 186 NE2 GLN A 30 24.107 -31.121 -24.969 1.00 41.26 N ATOM 0 H GLN A 30 20.085 -31.734 -22.484 1.00 28.75 H new ATOM 0 HA GLN A 30 22.192 -30.142 -23.056 1.00 28.43 H new ATOM 0 HB2 GLN A 30 19.939 -30.505 -24.744 1.00 32.10 H new ATOM 0 HB3 GLN A 30 20.864 -29.263 -24.918 1.00 32.10 H new ATOM 0 HG2 GLN A 30 21.790 -31.921 -25.277 1.00 36.54 H new ATOM 0 HG3 GLN A 30 21.375 -31.006 -26.469 1.00 36.54 H new ATOM 0 HE21 GLN A 30 23.891 -31.831 -24.534 1.00 41.26 H new ATOM 0 HE22 GLN A 30 24.922 -30.847 -24.968 1.00 41.26 H new ATOM 187 N PRO A 31 21.192 -28.031 -22.148 1.00 24.69 N ATOM 188 CA PRO A 31 20.545 -26.929 -21.436 1.00 24.16 C ATOM 189 C PRO A 31 19.410 -26.399 -22.302 1.00 23.68 C ATOM 190 O PRO A 31 19.522 -26.328 -23.528 1.00 22.55 O ATOM 191 CB PRO A 31 21.670 -25.907 -21.255 1.00 25.61 C ATOM 192 CG PRO A 31 22.588 -26.184 -22.444 1.00 26.66 C ATOM 193 CD PRO A 31 22.589 -27.702 -22.499 1.00 25.22 C ATOM 0 HA PRO A 31 20.151 -27.168 -20.582 1.00 24.16 H new ATOM 0 HB2 PRO A 31 21.333 -24.997 -21.267 1.00 25.61 H new ATOM 0 HB3 PRO A 31 22.131 -26.028 -20.410 1.00 25.61 H new ATOM 0 HG2 PRO A 31 22.248 -25.792 -23.264 1.00 26.66 H new ATOM 0 HG3 PRO A 31 23.479 -25.826 -22.306 1.00 26.66 H new ATOM 0 HD2 PRO A 31 22.828 -28.032 -23.379 1.00 25.22 H new ATOM 0 HD3 PRO A 31 23.220 -28.086 -21.871 1.00 25.22 H new ATOM 194 N MET A 32 18.320 -26.021 -21.654 1.00 23.64 N ATOM 195 CA MET A 32 17.155 -25.529 -22.358 1.00 24.08 C ATOM 196 C MET A 32 16.355 -24.670 -21.402 1.00 22.85 C ATOM 197 O MET A 32 16.299 -24.936 -20.196 1.00 23.35 O ATOM 198 CB MET A 32 16.292 -26.723 -22.798 1.00 26.42 C ATOM 199 CG MET A 32 15.293 -26.430 -23.887 1.00 32.75 C ATOM 200 SD MET A 32 14.370 -27.922 -24.361 1.00 40.04 S ATOM 201 CE MET A 32 12.705 -27.342 -24.235 1.00 37.27 C ATOM 0 H MET A 32 18.237 -26.043 -20.798 1.00 23.64 H new ATOM 0 HA MET A 32 17.422 -25.015 -23.136 1.00 24.08 H new ATOM 0 HB2 MET A 32 16.879 -27.433 -23.101 1.00 26.42 H new ATOM 0 HB3 MET A 32 15.815 -27.061 -22.024 1.00 26.42 H new ATOM 0 HG2 MET A 32 14.674 -25.747 -23.585 1.00 32.75 H new ATOM 0 HG3 MET A 32 15.753 -26.073 -24.662 1.00 32.75 H new ATOM 0 HE1 MET A 32 12.101 -28.099 -24.184 1.00 37.27 H new ATOM 0 HE2 MET A 32 12.611 -26.800 -23.436 1.00 37.27 H new ATOM 0 HE3 MET A 32 12.488 -26.808 -25.015 1.00 37.27 H new ATOM 202 N THR A 33 15.710 -23.652 -21.943 1.00 20.55 N ATOM 203 CA THR A 33 14.899 -22.797 -21.126 1.00 19.51 C ATOM 204 C THR A 33 13.439 -23.216 -21.302 1.00 17.97 C ATOM 205 O THR A 33 12.992 -23.475 -22.418 1.00 18.28 O ATOM 206 CB THR A 33 15.089 -21.332 -21.536 1.00 21.14 C ATOM 207 OG1 THR A 33 16.475 -20.985 -21.394 1.00 23.91 O ATOM 208 CG2 THR A 33 14.246 -20.420 -20.665 1.00 19.00 C ATOM 0 H THR A 33 15.733 -23.445 -22.778 1.00 20.55 H new ATOM 0 HA THR A 33 15.158 -22.880 -20.195 1.00 19.51 H new ATOM 0 HB THR A 33 14.809 -21.222 -22.458 1.00 21.14 H new ATOM 0 HG1 THR A 33 16.588 -20.183 -21.618 1.00 23.91 H new ATOM 0 HG21 THR A 33 14.378 -19.499 -20.938 1.00 19.00 H new ATOM 0 HG22 THR A 33 13.310 -20.654 -20.762 1.00 19.00 H new ATOM 0 HG23 THR A 33 14.510 -20.523 -19.737 1.00 19.00 H new ATOM 209 N PHE A 34 12.708 -23.310 -20.196 1.00 16.63 N ATOM 210 CA PHE A 34 11.301 -23.691 -20.262 1.00 16.66 C ATOM 211 C PHE A 34 10.370 -22.598 -19.762 1.00 15.56 C ATOM 212 O PHE A 34 10.654 -21.915 -18.777 1.00 17.47 O ATOM 213 CB PHE A 34 11.010 -24.949 -19.431 1.00 15.47 C ATOM 214 CG PHE A 34 11.506 -26.213 -20.045 1.00 15.63 C ATOM 215 CD1 PHE A 34 12.849 -26.553 -19.978 1.00 15.47 C ATOM 216 CD2 PHE A 34 10.610 -27.090 -20.685 1.00 15.07 C ATOM 217 CE1 PHE A 34 13.316 -27.773 -20.546 1.00 17.08 C ATOM 218 CE2 PHE A 34 11.052 -28.283 -21.245 1.00 14.15 C ATOM 219 CZ PHE A 34 12.417 -28.630 -21.177 1.00 14.49 C ATOM 0 H PHE A 34 13.005 -23.159 -19.403 1.00 16.63 H new ATOM 0 HA PHE A 34 11.134 -23.856 -21.203 1.00 16.66 H new ATOM 0 HB2 PHE A 34 11.414 -24.846 -18.555 1.00 15.47 H new ATOM 0 HB3 PHE A 34 10.052 -25.021 -19.296 1.00 15.47 H new ATOM 0 HD1 PHE A 34 13.450 -25.980 -19.559 1.00 15.47 H new ATOM 0 HD2 PHE A 34 9.708 -26.868 -20.734 1.00 15.07 H new ATOM 0 HE1 PHE A 34 14.217 -27.996 -20.496 1.00 17.08 H new ATOM 0 HE2 PHE A 34 10.448 -28.852 -21.664 1.00 14.15 H new ATOM 0 HZ PHE A 34 12.716 -29.427 -21.552 1.00 14.49 H new ATOM 220 N ARG A 35 9.255 -22.460 -20.454 1.00 12.54 N ATOM 221 CA ARG A 35 8.214 -21.511 -20.102 1.00 12.89 C ATOM 222 C ARG A 35 7.064 -22.342 -19.552 1.00 12.60 C ATOM 223 O ARG A 35 6.513 -23.184 -20.265 1.00 15.34 O ATOM 224 CB ARG A 35 7.724 -20.773 -21.342 1.00 14.52 C ATOM 225 CG ARG A 35 6.426 -19.954 -21.112 1.00 17.06 C ATOM 226 CD ARG A 35 6.689 -18.784 -20.154 1.00 17.93 C ATOM 227 NE ARG A 35 5.649 -17.752 -20.232 1.00 20.59 N ATOM 228 CZ ARG A 35 4.527 -17.722 -19.500 1.00 24.76 C ATOM 229 NH1 ARG A 35 4.260 -18.676 -18.601 1.00 23.39 N ATOM 230 NH2 ARG A 35 3.662 -16.722 -19.664 1.00 22.63 N ATOM 0 H ARG A 35 9.077 -22.924 -21.156 1.00 12.54 H new ATOM 0 HA ARG A 35 8.544 -20.857 -19.466 1.00 12.89 H new ATOM 0 HB2 ARG A 35 8.423 -20.175 -21.650 1.00 14.52 H new ATOM 0 HB3 ARG A 35 7.569 -21.417 -22.051 1.00 14.52 H new ATOM 0 HG2 ARG A 35 6.096 -19.617 -21.959 1.00 17.06 H new ATOM 0 HG3 ARG A 35 5.735 -20.529 -20.747 1.00 17.06 H new ATOM 0 HD2 ARG A 35 6.741 -19.119 -19.245 1.00 17.93 H new ATOM 0 HD3 ARG A 35 7.550 -18.388 -20.360 1.00 17.93 H new ATOM 0 HE ARG A 35 5.770 -17.113 -20.795 1.00 20.59 H new ATOM 0 HH11 ARG A 35 4.813 -19.324 -18.484 1.00 23.39 H new ATOM 0 HH12 ARG A 35 3.535 -18.641 -18.140 1.00 23.39 H new ATOM 0 HH21 ARG A 35 3.826 -16.102 -20.237 1.00 22.63 H new ATOM 0 HH22 ARG A 35 2.940 -16.697 -19.197 1.00 22.63 H new ATOM 231 N LEU A 36 6.702 -22.124 -18.296 1.00 12.30 N ATOM 232 CA LEU A 36 5.603 -22.873 -17.691 1.00 13.31 C ATOM 233 C LEU A 36 4.263 -22.671 -18.403 1.00 14.27 C ATOM 234 O LEU A 36 3.783 -21.545 -18.565 1.00 13.56 O ATOM 235 CB LEU A 36 5.457 -22.496 -16.213 1.00 13.91 C ATOM 236 CG LEU A 36 6.381 -23.273 -15.270 1.00 15.54 C ATOM 237 CD1 LEU A 36 7.823 -23.105 -15.722 1.00 17.23 C ATOM 238 CD2 LEU A 36 6.199 -22.751 -13.836 1.00 16.75 C ATOM 0 H LEU A 36 7.076 -21.550 -17.776 1.00 12.30 H new ATOM 0 HA LEU A 36 5.833 -23.811 -17.781 1.00 13.31 H new ATOM 0 HB2 LEU A 36 5.634 -21.547 -16.113 1.00 13.91 H new ATOM 0 HB3 LEU A 36 4.537 -22.643 -15.942 1.00 13.91 H new ATOM 0 HG LEU A 36 6.157 -24.217 -15.290 1.00 15.54 H new ATOM 0 HD11 LEU A 36 8.409 -23.597 -15.125 1.00 17.23 H new ATOM 0 HD12 LEU A 36 7.921 -23.446 -16.625 1.00 17.23 H new ATOM 0 HD13 LEU A 36 8.060 -22.165 -15.705 1.00 17.23 H new ATOM 0 HD21 LEU A 36 6.783 -23.241 -13.236 1.00 16.75 H new ATOM 0 HD22 LEU A 36 6.422 -21.808 -13.804 1.00 16.75 H new ATOM 0 HD23 LEU A 36 5.277 -22.874 -13.561 1.00 16.75 H new ATOM 239 N LEU A 37 3.660 -23.779 -18.818 1.00 13.98 N ATOM 240 CA LEU A 37 2.365 -23.748 -19.493 1.00 14.46 C ATOM 241 C LEU A 37 1.214 -23.192 -18.642 1.00 15.20 C ATOM 242 O LEU A 37 1.150 -23.393 -17.413 1.00 13.14 O ATOM 243 CB LEU A 37 1.964 -25.171 -19.924 1.00 13.56 C ATOM 244 CG LEU A 37 2.525 -25.745 -21.222 1.00 12.68 C ATOM 245 CD1 LEU A 37 1.988 -27.200 -21.420 1.00 12.51 C ATOM 246 CD2 LEU A 37 2.100 -24.822 -22.407 1.00 12.32 C ATOM 0 H LEU A 37 3.987 -24.568 -18.717 1.00 13.98 H new ATOM 0 HA LEU A 37 2.491 -23.151 -20.247 1.00 14.46 H new ATOM 0 HB2 LEU A 37 2.214 -25.774 -19.207 1.00 13.56 H new ATOM 0 HB3 LEU A 37 0.996 -25.194 -19.989 1.00 13.56 H new ATOM 0 HG LEU A 37 3.494 -25.781 -21.187 1.00 12.68 H new ATOM 0 HD11 LEU A 37 2.343 -27.567 -22.245 1.00 12.51 H new ATOM 0 HD12 LEU A 37 2.268 -27.753 -20.674 1.00 12.51 H new ATOM 0 HD13 LEU A 37 1.019 -27.184 -21.465 1.00 12.51 H new ATOM 0 HD21 LEU A 37 2.452 -25.179 -23.238 1.00 12.32 H new ATOM 0 HD22 LEU A 37 1.132 -24.784 -22.457 1.00 12.32 H new ATOM 0 HD23 LEU A 37 2.451 -23.929 -22.264 1.00 12.32 H new ATOM 247 N LEU A 38 0.303 -22.501 -19.323 1.00 17.00 N ATOM 248 CA LEU A 38 -0.920 -21.965 -18.733 1.00 19.45 C ATOM 249 C LEU A 38 -0.871 -21.012 -17.540 1.00 20.58 C ATOM 250 O LEU A 38 -1.894 -20.785 -16.897 1.00 22.43 O ATOM 251 CB LEU A 38 -1.848 -23.145 -18.405 1.00 20.02 C ATOM 252 CG LEU A 38 -2.390 -23.902 -19.625 1.00 23.81 C ATOM 253 CD1 LEU A 38 -3.079 -25.205 -19.194 1.00 23.87 C ATOM 254 CD2 LEU A 38 -3.391 -23.013 -20.365 1.00 24.05 C ATOM 0 H LEU A 38 0.381 -22.327 -20.162 1.00 17.00 H new ATOM 0 HA LEU A 38 -1.233 -21.364 -19.427 1.00 19.45 H new ATOM 0 HB2 LEU A 38 -1.367 -23.770 -17.841 1.00 20.02 H new ATOM 0 HB3 LEU A 38 -2.598 -22.815 -17.887 1.00 20.02 H new ATOM 0 HG LEU A 38 -1.649 -24.125 -20.210 1.00 23.81 H new ATOM 0 HD11 LEU A 38 -3.414 -25.668 -19.977 1.00 23.87 H new ATOM 0 HD12 LEU A 38 -2.441 -25.771 -18.732 1.00 23.87 H new ATOM 0 HD13 LEU A 38 -3.818 -24.999 -18.600 1.00 23.87 H new ATOM 0 HD21 LEU A 38 -3.736 -23.488 -21.137 1.00 24.05 H new ATOM 0 HD22 LEU A 38 -4.124 -22.786 -19.771 1.00 24.05 H new ATOM 0 HD23 LEU A 38 -2.949 -22.200 -20.657 1.00 24.05 H new ATOM 255 N VAL A 39 0.290 -20.447 -17.230 1.00 22.36 N ATOM 256 CA VAL A 39 0.361 -19.508 -16.115 1.00 23.00 C ATOM 257 C VAL A 39 0.937 -18.168 -16.549 1.00 25.49 C ATOM 258 O VAL A 39 1.759 -18.092 -17.476 1.00 24.58 O ATOM 259 CB VAL A 39 1.233 -20.050 -14.923 1.00 24.65 C ATOM 260 CG1 VAL A 39 0.759 -21.431 -14.503 1.00 23.01 C ATOM 261 CG2 VAL A 39 2.700 -20.093 -15.303 1.00 21.85 C ATOM 0 H VAL A 39 1.032 -20.588 -17.641 1.00 22.36 H new ATOM 0 HA VAL A 39 -0.554 -19.397 -15.813 1.00 23.00 H new ATOM 0 HB VAL A 39 1.129 -19.443 -14.174 1.00 24.65 H new ATOM 0 HG11 VAL A 39 1.305 -21.751 -13.768 1.00 23.01 H new ATOM 0 HG12 VAL A 39 -0.167 -21.383 -14.219 1.00 23.01 H new ATOM 0 HG13 VAL A 39 0.836 -22.042 -15.253 1.00 23.01 H new ATOM 0 HG21 VAL A 39 3.218 -20.429 -14.555 1.00 21.85 H new ATOM 0 HG22 VAL A 39 2.819 -20.678 -16.068 1.00 21.85 H new ATOM 0 HG23 VAL A 39 3.002 -19.199 -15.529 1.00 21.85 H new ATOM 262 N ASP A 40 0.471 -17.113 -15.887 1.00 27.10 N ATOM 263 CA ASP A 40 0.943 -15.748 -16.099 1.00 30.50 C ATOM 264 C ASP A 40 1.334 -15.211 -14.731 1.00 31.17 C ATOM 265 O ASP A 40 0.474 -14.966 -13.888 1.00 29.48 O ATOM 266 CB ASP A 40 -0.144 -14.848 -16.692 1.00 32.71 C ATOM 267 CG ASP A 40 -0.276 -15.007 -18.188 1.00 35.50 C ATOM 268 OD1 ASP A 40 0.722 -15.387 -18.838 1.00 34.98 O ATOM 269 OD2 ASP A 40 -1.375 -14.741 -18.716 1.00 37.48 O ATOM 0 H ASP A 40 -0.143 -17.173 -15.288 1.00 27.10 H new ATOM 0 HA ASP A 40 1.683 -15.754 -16.726 1.00 30.50 H new ATOM 0 HB2 ASP A 40 -0.994 -15.053 -16.272 1.00 32.71 H new ATOM 0 HB3 ASP A 40 0.059 -13.922 -16.485 1.00 32.71 H new ATOM 270 N THR A 41 2.632 -15.051 -14.513 1.00 32.74 N ATOM 271 CA THR A 41 3.149 -14.558 -13.242 1.00 36.48 C ATOM 272 C THR A 41 3.556 -13.098 -13.365 1.00 37.93 C ATOM 273 O THR A 41 3.927 -12.653 -14.437 1.00 37.22 O ATOM 274 CB THR A 41 4.386 -15.338 -12.836 1.00 37.24 C ATOM 275 OG1 THR A 41 5.349 -15.248 -13.894 1.00 37.82 O ATOM 276 CG2 THR A 41 4.039 -16.803 -12.586 1.00 36.23 C ATOM 0 H THR A 41 3.239 -15.225 -15.097 1.00 32.74 H new ATOM 0 HA THR A 41 2.447 -14.662 -12.581 1.00 36.48 H new ATOM 0 HB THR A 41 4.747 -14.965 -12.017 1.00 37.24 H new ATOM 0 HG1 THR A 41 6.040 -15.675 -13.681 1.00 37.82 H new ATOM 0 HG21 THR A 41 4.840 -17.286 -12.328 1.00 36.23 H new ATOM 0 HG22 THR A 41 3.382 -16.863 -11.875 1.00 36.23 H new ATOM 0 HG23 THR A 41 3.674 -17.192 -13.396 1.00 36.23 H new ATOM 277 N PRO A 42 3.503 -12.339 -12.261 1.00 40.26 N ATOM 278 CA PRO A 42 3.887 -10.923 -12.317 1.00 42.63 C ATOM 279 C PRO A 42 5.342 -10.765 -12.764 1.00 45.95 C ATOM 280 O PRO A 42 6.182 -11.635 -12.498 1.00 45.19 O ATOM 281 CB PRO A 42 3.679 -10.449 -10.880 1.00 41.62 C ATOM 282 CG PRO A 42 2.622 -11.372 -10.364 1.00 40.61 C ATOM 283 CD PRO A 42 3.056 -12.700 -10.908 1.00 39.98 C ATOM 0 HA PRO A 42 3.371 -10.409 -12.958 1.00 42.63 H new ATOM 0 HB2 PRO A 42 4.495 -10.513 -10.360 1.00 41.62 H new ATOM 0 HB3 PRO A 42 3.393 -9.523 -10.846 1.00 41.62 H new ATOM 0 HG2 PRO A 42 2.586 -11.373 -9.395 1.00 40.61 H new ATOM 0 HG3 PRO A 42 1.740 -11.123 -10.681 1.00 40.61 H new ATOM 0 HD2 PRO A 42 3.770 -13.093 -10.382 1.00 39.98 H new ATOM 0 HD3 PRO A 42 2.329 -13.342 -10.924 1.00 39.98 H new ATOM 284 N GLU A 43 5.629 -9.641 -13.423 1.00 49.73 N ATOM 285 CA GLU A 43 6.966 -9.335 -13.930 1.00 53.49 C ATOM 286 C GLU A 43 7.896 -8.817 -12.831 1.00 54.37 C ATOM 287 O GLU A 43 7.460 -8.095 -11.932 1.00 54.37 O ATOM 288 CB GLU A 43 6.874 -8.265 -15.020 1.00 55.70 C ATOM 289 CG GLU A 43 5.677 -8.391 -15.967 1.00 59.21 C ATOM 290 CD GLU A 43 5.789 -9.567 -16.920 1.00 61.03 C ATOM 291 OE1 GLU A 43 6.863 -9.724 -17.547 1.00 61.68 O ATOM 292 OE2 GLU A 43 4.801 -10.326 -17.050 1.00 62.07 O ATOM 0 H GLU A 43 5.047 -9.030 -13.589 1.00 49.73 H new ATOM 0 HA GLU A 43 7.332 -10.162 -14.282 1.00 53.49 H new ATOM 0 HB2 GLU A 43 6.840 -7.394 -14.594 1.00 55.70 H new ATOM 0 HB3 GLU A 43 7.688 -8.291 -15.547 1.00 55.70 H new ATOM 0 HG2 GLU A 43 4.866 -8.483 -15.443 1.00 59.21 H new ATOM 0 HG3 GLU A 43 5.591 -7.573 -16.481 1.00 59.21 H new ATOM 293 N THR A 44 9.174 -9.182 -12.909 1.00 55.19 N ATOM 294 CA THR A 44 10.167 -8.716 -11.937 1.00 55.96 C ATOM 295 C THR A 44 11.137 -7.756 -12.642 1.00 55.91 C ATOM 296 O THR A 44 11.943 -7.076 -12.000 1.00 54.66 O ATOM 297 CB THR A 44 10.983 -9.884 -11.320 1.00 56.09 C ATOM 298 OG1 THR A 44 11.723 -10.557 -12.346 1.00 57.22 O ATOM 299 CG2 THR A 44 10.061 -10.872 -10.633 1.00 56.03 C ATOM 0 H THR A 44 9.489 -9.700 -13.518 1.00 55.19 H new ATOM 0 HA THR A 44 9.691 -8.274 -11.217 1.00 55.96 H new ATOM 0 HB THR A 44 11.596 -9.517 -10.664 1.00 56.09 H new ATOM 0 HG1 THR A 44 12.164 -11.187 -12.007 1.00 57.22 H new ATOM 0 HG21 THR A 44 10.585 -11.594 -10.253 1.00 56.03 H new ATOM 0 HG22 THR A 44 9.573 -10.422 -9.926 1.00 56.03 H new ATOM 0 HG23 THR A 44 9.434 -11.233 -11.279 1.00 56.03 H new ATOM 300 N LYS A 45 11.050 -7.711 -13.969 1.00 56.29 N ATOM 301 CA LYS A 45 11.898 -6.832 -14.768 1.00 57.25 C ATOM 302 C LYS A 45 11.145 -6.316 -15.995 1.00 56.87 C ATOM 303 O LYS A 45 11.166 -6.934 -17.060 1.00 55.60 O ATOM 304 CB LYS A 45 13.166 -7.569 -15.206 1.00 58.11 C ATOM 305 CG LYS A 45 14.006 -8.082 -14.051 1.00 59.52 C ATOM 306 CD LYS A 45 15.325 -8.646 -14.530 1.00 61.10 C ATOM 307 CE LYS A 45 16.159 -9.141 -13.356 1.00 62.47 C ATOM 308 NZ LYS A 45 17.561 -9.460 -13.769 1.00 63.81 N ATOM 0 H LYS A 45 10.501 -8.187 -14.429 1.00 56.29 H new ATOM 0 HA LYS A 45 12.147 -6.073 -14.218 1.00 57.25 H new ATOM 0 HB2 LYS A 45 12.916 -8.317 -15.771 1.00 58.11 H new ATOM 0 HB3 LYS A 45 13.706 -6.972 -15.748 1.00 58.11 H new ATOM 0 HG2 LYS A 45 14.170 -7.360 -13.424 1.00 59.52 H new ATOM 0 HG3 LYS A 45 13.515 -8.768 -13.572 1.00 59.52 H new ATOM 0 HD2 LYS A 45 15.164 -9.376 -15.148 1.00 61.10 H new ATOM 0 HD3 LYS A 45 15.815 -7.965 -15.016 1.00 61.10 H new ATOM 0 HE2 LYS A 45 16.172 -8.465 -12.660 1.00 62.47 H new ATOM 0 HE3 LYS A 45 15.746 -9.932 -12.976 1.00 62.47 H new ATOM 0 HZ1 LYS A 45 18.021 -9.746 -13.063 1.00 63.81 H new ATOM 0 HZ2 LYS A 45 17.550 -10.095 -14.392 1.00 63.81 H new ATOM 0 HZ3 LYS A 45 17.947 -8.729 -14.098 1.00 63.81 H new ATOM 309 N VAL A 51 9.281 -4.214 -12.080 1.00 47.03 N ATOM 310 CA VAL A 51 9.057 -5.112 -10.949 1.00 47.96 C ATOM 311 C VAL A 51 7.608 -5.027 -10.503 1.00 47.26 C ATOM 312 O VAL A 51 7.280 -4.241 -9.616 1.00 47.69 O ATOM 313 CB VAL A 51 9.956 -4.744 -9.739 1.00 48.11 C ATOM 314 CG1 VAL A 51 9.721 -5.724 -8.587 1.00 47.71 C ATOM 315 CG2 VAL A 51 11.419 -4.757 -10.154 1.00 48.63 C ATOM 0 HA VAL A 51 9.276 -6.009 -11.245 1.00 47.96 H new ATOM 0 HB VAL A 51 9.725 -3.852 -9.437 1.00 48.11 H new ATOM 0 HG11 VAL A 51 10.288 -5.484 -7.837 1.00 47.71 H new ATOM 0 HG12 VAL A 51 8.791 -5.686 -8.314 1.00 47.71 H new ATOM 0 HG13 VAL A 51 9.935 -6.624 -8.879 1.00 47.71 H new ATOM 0 HG21 VAL A 51 11.974 -4.526 -9.392 1.00 48.63 H new ATOM 0 HG22 VAL A 51 11.658 -5.642 -10.471 1.00 48.63 H new ATOM 0 HG23 VAL A 51 11.560 -4.111 -10.864 1.00 48.63 H new ATOM 316 N GLU A 52 6.747 -5.835 -11.116 1.00 46.61 N ATOM 317 CA GLU A 52 5.326 -5.836 -10.776 1.00 45.62 C ATOM 318 C GLU A 52 5.063 -6.383 -9.378 1.00 43.09 C ATOM 319 O GLU A 52 5.905 -7.059 -8.796 1.00 42.05 O ATOM 320 CB GLU A 52 4.531 -6.660 -11.785 1.00 47.45 C ATOM 321 CG GLU A 52 4.484 -6.085 -13.180 1.00 50.91 C ATOM 322 CD GLU A 52 3.643 -6.934 -14.117 1.00 53.77 C ATOM 323 OE1 GLU A 52 3.529 -6.573 -15.307 1.00 55.15 O ATOM 324 OE2 GLU A 52 3.098 -7.965 -13.663 1.00 54.28 O ATOM 0 H GLU A 52 6.966 -6.392 -11.734 1.00 46.61 H new ATOM 0 HA GLU A 52 5.038 -4.910 -10.800 1.00 45.62 H new ATOM 0 HB2 GLU A 52 4.914 -7.550 -11.829 1.00 47.45 H new ATOM 0 HB3 GLU A 52 3.623 -6.758 -11.459 1.00 47.45 H new ATOM 0 HG2 GLU A 52 4.121 -5.186 -13.146 1.00 50.91 H new ATOM 0 HG3 GLU A 52 5.386 -6.014 -13.530 1.00 50.91 H new ATOM 325 N LYS A 53 3.883 -6.076 -8.852 1.00 42.06 N ATOM 326 CA LYS A 53 3.478 -6.522 -7.521 1.00 41.42 C ATOM 327 C LYS A 53 3.425 -8.053 -7.496 1.00 39.47 C ATOM 328 O LYS A 53 2.832 -8.669 -8.384 1.00 37.83 O ATOM 329 CB LYS A 53 2.102 -5.942 -7.182 1.00 43.05 C ATOM 330 CG LYS A 53 1.692 -6.131 -5.737 1.00 46.40 C ATOM 331 CD LYS A 53 2.457 -5.181 -4.816 1.00 48.48 C ATOM 332 CE LYS A 53 2.263 -5.569 -3.356 1.00 49.06 C ATOM 333 NZ LYS A 53 0.827 -5.794 -3.042 1.00 50.63 N ATOM 0 H LYS A 53 3.291 -5.601 -9.257 1.00 42.06 H new ATOM 0 HA LYS A 53 4.120 -6.214 -6.862 1.00 41.42 H new ATOM 0 HB2 LYS A 53 2.102 -4.994 -7.387 1.00 43.05 H new ATOM 0 HB3 LYS A 53 1.437 -6.356 -7.754 1.00 43.05 H new ATOM 0 HG2 LYS A 53 0.739 -5.976 -5.646 1.00 46.40 H new ATOM 0 HG3 LYS A 53 1.857 -7.048 -5.469 1.00 46.40 H new ATOM 0 HD2 LYS A 53 3.401 -5.200 -5.037 1.00 48.48 H new ATOM 0 HD3 LYS A 53 2.151 -4.271 -4.957 1.00 48.48 H new ATOM 0 HE2 LYS A 53 2.768 -6.374 -3.163 1.00 49.06 H new ATOM 0 HE3 LYS A 53 2.615 -4.869 -2.784 1.00 49.06 H new ATOM 0 HZ1 LYS A 53 0.709 -5.774 -2.160 1.00 50.63 H new ATOM 0 HZ2 LYS A 53 0.336 -5.155 -3.421 1.00 50.63 H new ATOM 0 HZ3 LYS A 53 0.575 -6.587 -3.357 1.00 50.63 H new ATOM 334 N TYR A 54 4.047 -8.646 -6.477 1.00 38.06 N ATOM 335 CA TYR A 54 4.120 -10.102 -6.309 1.00 38.19 C ATOM 336 C TYR A 54 5.058 -10.740 -7.338 1.00 37.99 C ATOM 337 O TYR A 54 5.177 -11.968 -7.420 1.00 37.03 O ATOM 338 CB TYR A 54 2.725 -10.732 -6.399 1.00 37.40 C ATOM 339 CG TYR A 54 1.837 -10.339 -5.241 1.00 38.23 C ATOM 340 CD1 TYR A 54 2.089 -10.821 -3.957 1.00 37.13 C ATOM 341 CD2 TYR A 54 0.781 -9.440 -5.416 1.00 37.96 C ATOM 342 CE1 TYR A 54 1.325 -10.420 -2.874 1.00 37.81 C ATOM 343 CE2 TYR A 54 0.003 -9.030 -4.335 1.00 38.19 C ATOM 344 CZ TYR A 54 0.289 -9.523 -3.066 1.00 38.75 C ATOM 345 OH TYR A 54 -0.429 -9.092 -1.977 1.00 40.17 O ATOM 0 H TYR A 54 4.445 -8.208 -5.853 1.00 38.06 H new ATOM 0 HA TYR A 54 4.483 -10.274 -5.426 1.00 38.19 H new ATOM 0 HB2 TYR A 54 2.305 -10.463 -7.231 1.00 37.40 H new ATOM 0 HB3 TYR A 54 2.811 -11.698 -6.424 1.00 37.40 H new ATOM 0 HD1 TYR A 54 2.784 -11.424 -3.825 1.00 37.13 H new ATOM 0 HD2 TYR A 54 0.595 -9.111 -6.266 1.00 37.96 H new ATOM 0 HE1 TYR A 54 1.507 -10.751 -2.024 1.00 37.81 H new ATOM 0 HE2 TYR A 54 -0.699 -8.434 -4.461 1.00 38.19 H new ATOM 0 HH TYR A 54 -1.023 -8.554 -2.228 1.00 40.17 H new ATOM 346 N GLY A 55 5.726 -9.893 -8.121 1.00 37.13 N ATOM 347 CA GLY A 55 6.665 -10.385 -9.117 1.00 34.40 C ATOM 348 C GLY A 55 7.761 -11.141 -8.402 1.00 32.76 C ATOM 349 O GLY A 55 8.050 -12.284 -8.737 1.00 32.40 O ATOM 0 H GLY A 55 5.648 -9.037 -8.089 1.00 37.13 H new ATOM 0 HA2 GLY A 55 6.213 -10.964 -9.751 1.00 34.40 H new ATOM 0 HA3 GLY A 55 7.038 -9.647 -9.623 1.00 34.40 H new ATOM 350 N PRO A 56 8.398 -10.522 -7.402 1.00 33.47 N ATOM 351 CA PRO A 56 9.469 -11.194 -6.659 1.00 32.78 C ATOM 352 C PRO A 56 8.977 -12.376 -5.817 1.00 31.90 C ATOM 353 O PRO A 56 9.702 -13.345 -5.620 1.00 31.49 O ATOM 354 CB PRO A 56 10.075 -10.064 -5.818 1.00 34.23 C ATOM 355 CG PRO A 56 8.932 -9.080 -5.672 1.00 34.41 C ATOM 356 CD PRO A 56 8.315 -9.092 -7.040 1.00 34.48 C ATOM 0 HA PRO A 56 10.119 -11.614 -7.244 1.00 32.78 H new ATOM 0 HB2 PRO A 56 10.382 -10.386 -4.956 1.00 34.23 H new ATOM 0 HB3 PRO A 56 10.839 -9.661 -6.259 1.00 34.23 H new ATOM 0 HG2 PRO A 56 8.302 -9.358 -4.989 1.00 34.41 H new ATOM 0 HG3 PRO A 56 9.246 -8.196 -5.425 1.00 34.41 H new ATOM 0 HD2 PRO A 56 7.399 -8.773 -7.028 1.00 34.48 H new ATOM 0 HD3 PRO A 56 8.803 -8.531 -7.663 1.00 34.48 H new ATOM 357 N GLU A 57 7.745 -12.296 -5.323 1.00 31.07 N ATOM 358 CA GLU A 57 7.171 -13.385 -4.529 1.00 28.85 C ATOM 359 C GLU A 57 7.082 -14.633 -5.417 1.00 26.10 C ATOM 360 O GLU A 57 7.546 -15.713 -5.040 1.00 24.41 O ATOM 361 CB GLU A 57 5.763 -13.015 -4.042 1.00 29.76 C ATOM 362 CG GLU A 57 5.684 -12.061 -2.842 1.00 32.21 C ATOM 363 CD GLU A 57 6.406 -10.740 -3.049 1.00 34.94 C ATOM 364 OE1 GLU A 57 6.418 -10.215 -4.185 1.00 34.76 O ATOM 365 OE2 GLU A 57 6.952 -10.217 -2.052 1.00 36.57 O ATOM 0 H GLU A 57 7.223 -11.621 -5.435 1.00 31.07 H new ATOM 0 HA GLU A 57 7.733 -13.550 -3.755 1.00 28.85 H new ATOM 0 HB2 GLU A 57 5.281 -12.613 -4.782 1.00 29.76 H new ATOM 0 HB3 GLU A 57 5.297 -13.833 -3.811 1.00 29.76 H new ATOM 0 HG2 GLU A 57 4.751 -11.881 -2.645 1.00 32.21 H new ATOM 0 HG3 GLU A 57 6.058 -12.504 -2.064 1.00 32.21 H new ATOM 366 N ALA A 58 6.501 -14.462 -6.601 1.00 23.82 N ATOM 367 CA ALA A 58 6.332 -15.559 -7.558 1.00 23.96 C ATOM 368 C ALA A 58 7.683 -16.189 -7.875 1.00 23.64 C ATOM 369 O ALA A 58 7.817 -17.409 -7.873 1.00 24.31 O ATOM 370 CB ALA A 58 5.662 -15.049 -8.840 1.00 22.24 C ATOM 0 H ALA A 58 6.193 -13.707 -6.875 1.00 23.82 H new ATOM 0 HA ALA A 58 5.760 -16.235 -7.162 1.00 23.96 H new ATOM 0 HB1 ALA A 58 5.556 -15.784 -9.464 1.00 22.24 H new ATOM 0 HB2 ALA A 58 4.791 -14.680 -8.625 1.00 22.24 H new ATOM 0 HB3 ALA A 58 6.214 -14.361 -9.242 1.00 22.24 H new ATOM 371 N SER A 59 8.687 -15.352 -8.121 1.00 23.15 N ATOM 372 CA SER A 59 10.043 -15.821 -8.408 1.00 22.54 C ATOM 373 C SER A 59 10.671 -16.566 -7.241 1.00 22.85 C ATOM 374 O SER A 59 11.323 -17.590 -7.424 1.00 22.90 O ATOM 375 CB SER A 59 10.965 -14.644 -8.781 1.00 22.46 C ATOM 376 OG SER A 59 10.701 -14.196 -10.099 1.00 24.75 O ATOM 0 H SER A 59 8.603 -14.496 -8.127 1.00 23.15 H new ATOM 0 HA SER A 59 9.955 -16.435 -9.154 1.00 22.54 H new ATOM 0 HB2 SER A 59 10.835 -13.915 -8.155 1.00 22.46 H new ATOM 0 HB3 SER A 59 11.892 -14.918 -8.708 1.00 22.46 H new ATOM 0 HG SER A 59 9.967 -14.511 -10.360 1.00 24.75 H new ATOM 377 N ALA A 60 10.504 -16.044 -6.035 1.00 22.27 N ATOM 378 CA ALA A 60 11.094 -16.704 -4.886 1.00 21.71 C ATOM 379 C ALA A 60 10.416 -18.064 -4.679 1.00 22.25 C ATOM 380 O ALA A 60 11.041 -19.046 -4.271 1.00 21.73 O ATOM 381 CB ALA A 60 10.928 -15.827 -3.658 1.00 22.25 C ATOM 0 H ALA A 60 10.063 -15.326 -5.863 1.00 22.27 H new ATOM 0 HA ALA A 60 12.041 -16.848 -5.036 1.00 21.71 H new ATOM 0 HB1 ALA A 60 11.322 -16.268 -2.889 1.00 22.25 H new ATOM 0 HB2 ALA A 60 11.371 -14.977 -3.805 1.00 22.25 H new ATOM 0 HB3 ALA A 60 9.984 -15.675 -3.494 1.00 22.25 H new ATOM 382 N PHE A 61 9.120 -18.105 -4.970 1.00 22.66 N ATOM 383 CA PHE A 61 8.337 -19.321 -4.817 1.00 21.43 C ATOM 384 C PHE A 61 8.843 -20.451 -5.729 1.00 21.32 C ATOM 385 O PHE A 61 9.162 -21.547 -5.260 1.00 19.81 O ATOM 386 CB PHE A 61 6.876 -19.007 -5.130 1.00 21.27 C ATOM 387 CG PHE A 61 5.947 -20.164 -4.917 1.00 21.08 C ATOM 388 CD1 PHE A 61 5.467 -20.463 -3.645 1.00 20.56 C ATOM 389 CD2 PHE A 61 5.547 -20.947 -5.985 1.00 20.47 C ATOM 390 CE1 PHE A 61 4.603 -21.523 -3.440 1.00 20.43 C ATOM 391 CE2 PHE A 61 4.680 -22.017 -5.789 1.00 21.18 C ATOM 392 CZ PHE A 61 4.208 -22.301 -4.501 1.00 16.95 C ATOM 0 H PHE A 61 8.673 -17.430 -5.261 1.00 22.66 H new ATOM 0 HA PHE A 61 8.428 -19.632 -3.903 1.00 21.43 H new ATOM 0 HB2 PHE A 61 6.588 -18.266 -4.575 1.00 21.27 H new ATOM 0 HB3 PHE A 61 6.808 -18.714 -6.052 1.00 21.27 H new ATOM 0 HD1 PHE A 61 5.732 -19.942 -2.922 1.00 20.56 H new ATOM 0 HD2 PHE A 61 5.860 -20.757 -6.840 1.00 20.47 H new ATOM 0 HE1 PHE A 61 4.290 -21.709 -2.584 1.00 20.43 H new ATOM 0 HE2 PHE A 61 4.415 -22.541 -6.510 1.00 21.18 H new ATOM 0 HZ PHE A 61 3.628 -23.015 -4.364 1.00 16.95 H new ATOM 393 N THR A 62 8.908 -20.193 -7.033 1.00 20.93 N ATOM 394 CA THR A 62 9.361 -21.223 -7.950 1.00 20.66 C ATOM 395 C THR A 62 10.826 -21.599 -7.710 1.00 20.96 C ATOM 396 O THR A 62 11.201 -22.767 -7.830 1.00 19.34 O ATOM 397 CB THR A 62 9.143 -20.790 -9.420 1.00 21.77 C ATOM 398 OG1 THR A 62 10.011 -19.708 -9.736 1.00 24.41 O ATOM 399 CG2 THR A 62 7.687 -20.322 -9.637 1.00 22.24 C ATOM 0 H THR A 62 8.698 -19.443 -7.397 1.00 20.93 H new ATOM 0 HA THR A 62 8.826 -22.014 -7.779 1.00 20.66 H new ATOM 0 HB THR A 62 9.329 -21.552 -9.991 1.00 21.77 H new ATOM 0 HG1 THR A 62 9.855 -19.443 -10.518 1.00 24.41 H new ATOM 0 HG21 THR A 62 7.567 -20.055 -10.562 1.00 22.24 H new ATOM 0 HG22 THR A 62 7.079 -21.049 -9.430 1.00 22.24 H new ATOM 0 HG23 THR A 62 7.499 -19.568 -9.056 1.00 22.24 H new ATOM 400 N LYS A 63 11.655 -20.617 -7.358 1.00 21.61 N ATOM 401 CA LYS A 63 13.070 -20.876 -7.087 1.00 22.28 C ATOM 402 C LYS A 63 13.212 -21.860 -5.920 1.00 22.31 C ATOM 403 O LYS A 63 13.940 -22.862 -6.009 1.00 22.83 O ATOM 404 CB LYS A 63 13.791 -19.558 -6.738 1.00 22.00 C ATOM 405 CG LYS A 63 15.272 -19.690 -6.364 1.00 21.61 C ATOM 406 CD LYS A 63 15.832 -18.293 -5.999 1.00 27.40 C ATOM 407 CE LYS A 63 17.343 -18.151 -6.268 1.00 27.15 C ATOM 408 NZ LYS A 63 18.155 -19.091 -5.465 1.00 29.51 N ATOM 0 H LYS A 63 11.419 -19.795 -7.270 1.00 21.61 H new ATOM 0 HA LYS A 63 13.472 -21.262 -7.881 1.00 22.28 H new ATOM 0 HB2 LYS A 63 13.718 -18.958 -7.497 1.00 22.00 H new ATOM 0 HB3 LYS A 63 13.324 -19.139 -5.999 1.00 22.00 H new ATOM 0 HG2 LYS A 63 15.375 -20.297 -5.615 1.00 21.61 H new ATOM 0 HG3 LYS A 63 15.771 -20.067 -7.105 1.00 21.61 H new ATOM 0 HD2 LYS A 63 15.355 -17.618 -6.506 1.00 27.40 H new ATOM 0 HD3 LYS A 63 15.659 -18.118 -5.061 1.00 27.40 H new ATOM 0 HE2 LYS A 63 17.516 -18.303 -7.210 1.00 27.15 H new ATOM 0 HE3 LYS A 63 17.619 -17.242 -6.072 1.00 27.15 H new ATOM 0 HZ1 LYS A 63 18.934 -18.712 -5.263 1.00 29.51 H new ATOM 0 HZ2 LYS A 63 17.720 -19.293 -4.715 1.00 29.51 H new ATOM 0 HZ3 LYS A 63 18.299 -19.834 -5.933 1.00 29.51 H new ATOM 409 N LYS A 64 12.539 -21.561 -4.817 1.00 22.35 N ATOM 410 CA LYS A 64 12.613 -22.428 -3.642 1.00 24.65 C ATOM 411 C LYS A 64 12.037 -23.814 -3.929 1.00 23.89 C ATOM 412 O LYS A 64 12.603 -24.825 -3.520 1.00 25.06 O ATOM 413 CB LYS A 64 11.859 -21.791 -2.463 1.00 27.45 C ATOM 414 CG LYS A 64 11.910 -22.589 -1.178 1.00 31.37 C ATOM 415 CD LYS A 64 10.895 -22.057 -0.151 1.00 37.64 C ATOM 416 CE LYS A 64 10.647 -23.086 0.965 1.00 39.54 C ATOM 417 NZ LYS A 64 9.462 -22.755 1.816 1.00 41.34 N ATOM 0 H LYS A 64 12.038 -20.868 -4.725 1.00 22.35 H new ATOM 0 HA LYS A 64 13.550 -22.530 -3.413 1.00 24.65 H new ATOM 0 HB2 LYS A 64 12.228 -20.909 -2.297 1.00 27.45 H new ATOM 0 HB3 LYS A 64 10.931 -21.667 -2.717 1.00 27.45 H new ATOM 0 HG2 LYS A 64 11.724 -23.522 -1.366 1.00 31.37 H new ATOM 0 HG3 LYS A 64 12.804 -22.548 -0.804 1.00 31.37 H new ATOM 0 HD2 LYS A 64 11.224 -21.230 0.235 1.00 37.64 H new ATOM 0 HD3 LYS A 64 10.058 -21.850 -0.596 1.00 37.64 H new ATOM 0 HE2 LYS A 64 10.518 -23.961 0.568 1.00 39.54 H new ATOM 0 HE3 LYS A 64 11.436 -23.142 1.527 1.00 39.54 H new ATOM 0 HZ1 LYS A 64 9.363 -23.379 2.443 1.00 41.34 H new ATOM 0 HZ2 LYS A 64 9.586 -21.963 2.203 1.00 41.34 H new ATOM 0 HZ3 LYS A 64 8.731 -22.726 1.309 1.00 41.34 H new ATOM 418 N MET A 65 10.921 -23.866 -4.646 1.00 22.79 N ATOM 419 CA MET A 65 10.295 -25.156 -4.963 1.00 22.69 C ATOM 420 C MET A 65 11.180 -26.023 -5.869 1.00 22.81 C ATOM 421 O MET A 65 11.314 -27.234 -5.664 1.00 22.48 O ATOM 422 CB MET A 65 8.930 -24.917 -5.626 1.00 21.26 C ATOM 423 CG MET A 65 8.133 -26.182 -5.970 1.00 19.90 C ATOM 424 SD MET A 65 6.409 -25.783 -6.429 1.00 21.50 S ATOM 425 CE MET A 65 5.714 -27.447 -6.591 1.00 18.73 C ATOM 0 H MET A 65 10.510 -23.178 -4.958 1.00 22.79 H new ATOM 0 HA MET A 65 10.177 -25.640 -4.131 1.00 22.69 H new ATOM 0 HB2 MET A 65 8.393 -24.366 -5.035 1.00 21.26 H new ATOM 0 HB3 MET A 65 9.068 -24.409 -6.441 1.00 21.26 H new ATOM 0 HG2 MET A 65 8.565 -26.648 -6.703 1.00 19.90 H new ATOM 0 HG3 MET A 65 8.136 -26.784 -5.210 1.00 19.90 H new ATOM 0 HE1 MET A 65 4.778 -27.384 -6.838 1.00 18.73 H new ATOM 0 HE2 MET A 65 6.197 -27.934 -7.277 1.00 18.73 H new ATOM 0 HE3 MET A 65 5.794 -27.915 -5.745 1.00 18.73 H new ATOM 426 N GLN A 66 11.793 -25.399 -6.871 1.00 22.25 N ATOM 427 CA GLN A 66 12.633 -26.131 -7.808 1.00 23.19 C ATOM 428 C GLN A 66 13.998 -26.505 -7.235 1.00 22.87 C ATOM 429 O GLN A 66 14.469 -27.619 -7.455 1.00 22.21 O ATOM 430 CB GLN A 66 12.792 -25.306 -9.109 1.00 23.80 C ATOM 431 CG GLN A 66 11.433 -24.935 -9.733 1.00 27.01 C ATOM 432 CD GLN A 66 11.505 -23.923 -10.875 1.00 26.68 C ATOM 433 OE1 GLN A 66 12.250 -22.947 -10.814 1.00 26.64 O ATOM 434 NE2 GLN A 66 10.704 -24.147 -11.911 1.00 24.35 N ATOM 0 H GLN A 66 11.735 -24.555 -7.024 1.00 22.25 H new ATOM 0 HA GLN A 66 12.187 -26.971 -7.998 1.00 23.19 H new ATOM 0 HB2 GLN A 66 13.290 -24.496 -8.917 1.00 23.80 H new ATOM 0 HB3 GLN A 66 13.313 -25.814 -9.751 1.00 23.80 H new ATOM 0 HG2 GLN A 66 11.011 -25.744 -10.061 1.00 27.01 H new ATOM 0 HG3 GLN A 66 10.859 -24.578 -9.037 1.00 27.01 H new ATOM 0 HE21 GLN A 66 10.196 -24.841 -11.920 1.00 24.35 H new ATOM 0 HE22 GLN A 66 10.694 -23.598 -12.573 1.00 24.35 H new ATOM 435 N GLU A 67 14.629 -25.581 -6.505 1.00 24.17 N ATOM 436 CA GLU A 67 15.960 -25.829 -5.919 1.00 26.98 C ATOM 437 C GLU A 67 15.953 -26.890 -4.819 1.00 27.83 C ATOM 438 O GLU A 67 16.924 -27.637 -4.657 1.00 28.31 O ATOM 439 CB GLU A 67 16.548 -24.530 -5.340 1.00 27.38 C ATOM 440 CG GLU A 67 17.127 -23.592 -6.386 1.00 29.23 C ATOM 441 CD GLU A 67 17.699 -22.305 -5.796 1.00 28.51 C ATOM 442 OE1 GLU A 67 18.172 -21.448 -6.576 1.00 26.85 O ATOM 443 OE2 GLU A 67 17.669 -22.155 -4.557 1.00 29.59 O ATOM 0 H GLU A 67 14.306 -24.802 -6.335 1.00 24.17 H new ATOM 0 HA GLU A 67 16.507 -26.161 -6.648 1.00 26.98 H new ATOM 0 HB2 GLU A 67 15.854 -24.063 -4.849 1.00 27.38 H new ATOM 0 HB3 GLU A 67 17.243 -24.757 -4.702 1.00 27.38 H new ATOM 0 HG2 GLU A 67 17.826 -24.055 -6.874 1.00 29.23 H new ATOM 0 HG3 GLU A 67 16.435 -23.366 -7.027 1.00 29.23 H new ATOM 444 N ASN A 68 14.858 -26.950 -4.067 1.00 28.58 N ATOM 445 CA ASN A 68 14.733 -27.908 -2.972 1.00 29.93 C ATOM 446 C ASN A 68 14.282 -29.280 -3.425 1.00 30.04 C ATOM 447 O ASN A 68 14.351 -30.235 -2.659 1.00 30.40 O ATOM 448 CB ASN A 68 13.736 -27.394 -1.934 1.00 30.27 C ATOM 449 CG ASN A 68 14.189 -26.109 -1.277 1.00 34.01 C ATOM 450 OD1 ASN A 68 13.367 -25.237 -0.961 1.00 36.49 O ATOM 451 ND2 ASN A 68 15.501 -25.981 -1.055 1.00 33.91 N ATOM 0 H ASN A 68 14.173 -26.442 -4.175 1.00 28.58 H new ATOM 0 HA ASN A 68 15.621 -27.996 -2.592 1.00 29.93 H new ATOM 0 HB2 ASN A 68 12.877 -27.250 -2.360 1.00 30.27 H new ATOM 0 HB3 ASN A 68 13.605 -28.072 -1.253 1.00 30.27 H new ATOM 0 HD21 ASN A 68 15.806 -25.271 -0.678 1.00 33.91 H new ATOM 0 HD22 ASN A 68 16.040 -26.609 -1.289 1.00 33.91 H new ATOM 452 N ALA A 69 13.811 -29.377 -4.664 1.00 29.87 N ATOM 453 CA ALA A 69 13.315 -30.646 -5.177 1.00 28.31 C ATOM 454 C ALA A 69 14.418 -31.654 -5.414 1.00 27.08 C ATOM 455 O ALA A 69 15.515 -31.320 -5.865 1.00 25.42 O ATOM 456 CB ALA A 69 12.523 -30.429 -6.483 1.00 27.79 C ATOM 0 H ALA A 69 13.770 -28.723 -5.220 1.00 29.87 H new ATOM 0 HA ALA A 69 12.731 -31.009 -4.493 1.00 28.31 H new ATOM 0 HB1 ALA A 69 12.200 -31.283 -6.811 1.00 27.79 H new ATOM 0 HB2 ALA A 69 11.769 -29.843 -6.311 1.00 27.79 H new ATOM 0 HB3 ALA A 69 13.101 -30.025 -7.149 1.00 27.79 H new ATOM 457 N LYS A 70 14.087 -32.900 -5.119 1.00 25.75 N ATOM 458 CA LYS A 70 14.988 -34.024 -5.290 1.00 26.50 C ATOM 459 C LYS A 70 14.951 -34.404 -6.764 1.00 24.76 C ATOM 460 O LYS A 70 15.991 -34.662 -7.375 1.00 23.84 O ATOM 461 CB LYS A 70 14.473 -35.179 -4.433 1.00 29.43 C ATOM 462 CG LYS A 70 15.473 -36.225 -4.077 1.00 33.90 C ATOM 463 CD LYS A 70 15.087 -36.878 -2.739 1.00 33.49 C ATOM 464 CE LYS A 70 13.635 -37.346 -2.723 1.00 34.71 C ATOM 465 NZ LYS A 70 13.493 -38.483 -1.782 1.00 32.55 N ATOM 0 H LYS A 70 13.316 -33.120 -4.807 1.00 25.75 H new ATOM 0 HA LYS A 70 15.896 -33.811 -5.023 1.00 26.50 H new ATOM 0 HB2 LYS A 70 14.109 -34.812 -3.612 1.00 29.43 H new ATOM 0 HB3 LYS A 70 13.739 -35.605 -4.903 1.00 29.43 H new ATOM 0 HG2 LYS A 70 15.513 -36.897 -4.775 1.00 33.90 H new ATOM 0 HG3 LYS A 70 16.357 -35.831 -4.011 1.00 33.90 H new ATOM 0 HD2 LYS A 70 15.671 -37.634 -2.570 1.00 33.49 H new ATOM 0 HD3 LYS A 70 15.229 -36.244 -2.019 1.00 33.49 H new ATOM 0 HE2 LYS A 70 13.053 -36.617 -2.456 1.00 34.71 H new ATOM 0 HE3 LYS A 70 13.362 -37.615 -3.614 1.00 34.71 H new ATOM 0 HZ1 LYS A 70 12.646 -38.757 -1.772 1.00 32.55 H new ATOM 0 HZ2 LYS A 70 14.018 -39.153 -2.044 1.00 32.55 H new ATOM 0 HZ3 LYS A 70 13.730 -38.223 -0.964 1.00 32.55 H new ATOM 466 N LYS A 71 13.737 -34.441 -7.320 1.00 23.24 N ATOM 467 CA LYS A 71 13.529 -34.785 -8.722 1.00 24.07 C ATOM 468 C LYS A 71 12.726 -33.717 -9.465 1.00 21.89 C ATOM 469 O LYS A 71 11.715 -33.240 -8.957 1.00 25.17 O ATOM 470 CB LYS A 71 12.774 -36.113 -8.848 1.00 23.86 C ATOM 471 CG LYS A 71 13.454 -37.310 -8.206 1.00 28.82 C ATOM 472 CD LYS A 71 12.625 -38.576 -8.407 1.00 31.78 C ATOM 473 CE LYS A 71 13.172 -39.771 -7.613 1.00 32.52 C ATOM 474 NZ LYS A 71 12.290 -40.964 -7.765 1.00 32.59 N ATOM 0 H LYS A 71 13.012 -34.266 -6.891 1.00 23.24 H new ATOM 0 HA LYS A 71 14.412 -34.854 -9.118 1.00 24.07 H new ATOM 0 HB2 LYS A 71 11.895 -36.007 -8.451 1.00 23.86 H new ATOM 0 HB3 LYS A 71 12.639 -36.303 -9.790 1.00 23.86 H new ATOM 0 HG2 LYS A 71 14.336 -37.431 -8.591 1.00 28.82 H new ATOM 0 HG3 LYS A 71 13.578 -37.147 -7.258 1.00 28.82 H new ATOM 0 HD2 LYS A 71 11.709 -38.405 -8.138 1.00 31.78 H new ATOM 0 HD3 LYS A 71 12.606 -38.800 -9.351 1.00 31.78 H new ATOM 0 HE2 LYS A 71 14.067 -39.985 -7.920 1.00 32.52 H new ATOM 0 HE3 LYS A 71 13.243 -39.535 -6.675 1.00 32.52 H new ATOM 0 HZ1 LYS A 71 12.625 -41.643 -7.298 1.00 32.59 H new ATOM 0 HZ2 LYS A 71 11.475 -40.771 -7.464 1.00 32.59 H new ATOM 0 HZ3 LYS A 71 12.243 -41.191 -8.624 1.00 32.59 H new ATOM 475 N ILE A 72 13.175 -33.354 -10.663 1.00 19.68 N ATOM 476 CA ILE A 72 12.471 -32.384 -11.507 1.00 17.53 C ATOM 477 C ILE A 72 12.035 -33.174 -12.736 1.00 17.20 C ATOM 478 O ILE A 72 12.781 -34.019 -13.241 1.00 17.18 O ATOM 479 CB ILE A 72 13.384 -31.238 -12.011 1.00 16.77 C ATOM 480 CG1 ILE A 72 13.889 -30.384 -10.837 1.00 17.71 C ATOM 481 CG2 ILE A 72 12.612 -30.363 -12.982 1.00 16.70 C ATOM 482 CD1 ILE A 72 12.838 -29.632 -10.115 1.00 12.13 C ATOM 0 H ILE A 72 13.898 -33.662 -11.013 1.00 19.68 H new ATOM 0 HA ILE A 72 11.752 -31.980 -10.997 1.00 17.53 H new ATOM 0 HB ILE A 72 14.150 -31.629 -12.459 1.00 16.77 H new ATOM 0 HG12 ILE A 72 14.345 -30.963 -10.206 1.00 17.71 H new ATOM 0 HG13 ILE A 72 14.547 -29.754 -11.172 1.00 17.71 H new ATOM 0 HG21 ILE A 72 13.184 -29.646 -13.297 1.00 16.70 H new ATOM 0 HG22 ILE A 72 12.319 -30.897 -13.737 1.00 16.70 H new ATOM 0 HG23 ILE A 72 11.839 -29.986 -12.534 1.00 16.70 H new ATOM 0 HD11 ILE A 72 13.241 -29.123 -9.394 1.00 12.13 H new ATOM 0 HD12 ILE A 72 12.394 -29.026 -10.729 1.00 12.13 H new ATOM 0 HD13 ILE A 72 12.189 -30.253 -9.748 1.00 12.13 H new ATOM 483 N GLU A 73 10.817 -32.941 -13.195 1.00 14.60 N ATOM 484 CA GLU A 73 10.343 -33.628 -14.389 1.00 15.72 C ATOM 485 C GLU A 73 9.634 -32.627 -15.277 1.00 14.32 C ATOM 486 O GLU A 73 8.985 -31.693 -14.787 1.00 13.77 O ATOM 487 CB GLU A 73 9.359 -34.748 -14.032 1.00 15.59 C ATOM 488 CG GLU A 73 9.972 -35.885 -13.261 1.00 18.10 C ATOM 489 CD GLU A 73 8.922 -36.822 -12.692 1.00 21.44 C ATOM 490 OE1 GLU A 73 8.787 -37.948 -13.207 1.00 20.29 O ATOM 491 OE2 GLU A 73 8.232 -36.418 -11.731 1.00 23.32 O ATOM 0 H GLU A 73 10.254 -32.398 -12.838 1.00 14.60 H new ATOM 0 HA GLU A 73 11.106 -34.019 -14.842 1.00 15.72 H new ATOM 0 HB2 GLU A 73 8.632 -34.372 -13.511 1.00 15.59 H new ATOM 0 HB3 GLU A 73 8.971 -35.097 -14.850 1.00 15.59 H new ATOM 0 HG2 GLU A 73 10.568 -36.384 -13.842 1.00 18.10 H new ATOM 0 HG3 GLU A 73 10.512 -35.530 -12.538 1.00 18.10 H new ATOM 492 N VAL A 74 9.755 -32.828 -16.582 1.00 14.89 N ATOM 493 CA VAL A 74 9.095 -31.959 -17.528 1.00 15.76 C ATOM 494 C VAL A 74 8.039 -32.786 -18.258 1.00 16.52 C ATOM 495 O VAL A 74 8.285 -33.933 -18.663 1.00 17.94 O ATOM 496 CB VAL A 74 10.093 -31.374 -18.550 1.00 15.53 C ATOM 497 CG1 VAL A 74 11.216 -30.651 -17.832 1.00 13.72 C ATOM 498 CG2 VAL A 74 10.620 -32.447 -19.407 1.00 19.46 C ATOM 0 H VAL A 74 10.215 -33.463 -16.935 1.00 14.89 H new ATOM 0 HA VAL A 74 8.693 -31.214 -17.055 1.00 15.76 H new ATOM 0 HB VAL A 74 9.633 -30.731 -19.112 1.00 15.53 H new ATOM 0 HG11 VAL A 74 11.836 -30.288 -18.484 1.00 13.72 H new ATOM 0 HG12 VAL A 74 10.848 -29.929 -17.299 1.00 13.72 H new ATOM 0 HG13 VAL A 74 11.684 -31.273 -17.253 1.00 13.72 H new ATOM 0 HG21 VAL A 74 11.246 -32.073 -20.046 1.00 19.46 H new ATOM 0 HG22 VAL A 74 11.074 -33.106 -18.859 1.00 19.46 H new ATOM 0 HG23 VAL A 74 9.888 -32.871 -19.882 1.00 19.46 H new ATOM 499 N GLU A 75 6.857 -32.208 -18.409 1.00 14.26 N ATOM 500 CA GLU A 75 5.764 -32.894 -19.079 1.00 14.29 C ATOM 501 C GLU A 75 5.243 -32.025 -20.221 1.00 14.32 C ATOM 502 O GLU A 75 4.600 -30.988 -19.979 1.00 12.49 O ATOM 503 CB GLU A 75 4.637 -33.159 -18.077 1.00 17.47 C ATOM 504 CG GLU A 75 3.433 -33.886 -18.675 1.00 20.20 C ATOM 505 CD GLU A 75 2.335 -34.085 -17.666 1.00 22.57 C ATOM 506 OE1 GLU A 75 2.014 -35.256 -17.372 1.00 21.77 O ATOM 507 OE2 GLU A 75 1.800 -33.067 -17.165 1.00 19.86 O ATOM 0 H GLU A 75 6.667 -31.417 -18.130 1.00 14.26 H new ATOM 0 HA GLU A 75 6.081 -33.738 -19.436 1.00 14.29 H new ATOM 0 HB2 GLU A 75 4.988 -33.684 -17.341 1.00 17.47 H new ATOM 0 HB3 GLU A 75 4.341 -32.313 -17.706 1.00 17.47 H new ATOM 0 HG2 GLU A 75 3.091 -33.378 -19.428 1.00 20.20 H new ATOM 0 HG3 GLU A 75 3.715 -34.748 -19.019 1.00 20.20 H new ATOM 508 N PHE A 76 5.541 -32.412 -21.459 1.00 15.12 N ATOM 509 CA PHE A 76 5.045 -31.646 -22.604 1.00 17.66 C ATOM 510 C PHE A 76 3.549 -31.918 -22.804 1.00 18.31 C ATOM 511 O PHE A 76 3.064 -33.000 -22.475 1.00 18.54 O ATOM 512 CB PHE A 76 5.807 -32.008 -23.888 1.00 17.54 C ATOM 513 CG PHE A 76 7.220 -31.471 -23.929 1.00 17.90 C ATOM 514 CD1 PHE A 76 8.289 -32.245 -23.485 1.00 17.45 C ATOM 515 CD2 PHE A 76 7.469 -30.186 -24.378 1.00 17.71 C ATOM 516 CE1 PHE A 76 9.597 -31.742 -23.486 1.00 21.47 C ATOM 517 CE2 PHE A 76 8.788 -29.665 -24.386 1.00 20.23 C ATOM 518 CZ PHE A 76 9.845 -30.445 -23.940 1.00 17.96 C ATOM 0 H PHE A 76 6.018 -33.100 -21.657 1.00 15.12 H new ATOM 0 HA PHE A 76 5.187 -30.704 -22.419 1.00 17.66 H new ATOM 0 HB2 PHE A 76 5.834 -32.974 -23.977 1.00 17.54 H new ATOM 0 HB3 PHE A 76 5.317 -31.666 -24.652 1.00 17.54 H new ATOM 0 HD1 PHE A 76 8.132 -33.110 -23.183 1.00 17.45 H new ATOM 0 HD2 PHE A 76 6.764 -29.659 -24.678 1.00 17.71 H new ATOM 0 HE1 PHE A 76 10.299 -32.272 -23.184 1.00 21.47 H new ATOM 0 HE2 PHE A 76 8.944 -28.800 -24.690 1.00 20.23 H new ATOM 0 HZ PHE A 76 10.711 -30.107 -23.943 1.00 17.96 H new ATOM 519 N ASP A 77 2.812 -30.937 -23.319 1.00 18.45 N ATOM 520 CA ASP A 77 1.390 -31.154 -23.541 1.00 19.43 C ATOM 521 C ASP A 77 1.253 -31.730 -24.956 1.00 20.68 C ATOM 522 O ASP A 77 2.262 -32.044 -25.599 1.00 19.06 O ATOM 523 CB ASP A 77 0.597 -29.851 -23.403 1.00 19.39 C ATOM 524 CG ASP A 77 -0.869 -30.097 -23.011 1.00 20.13 C ATOM 525 OD1 ASP A 77 -1.427 -31.133 -23.429 1.00 19.21 O ATOM 526 OD2 ASP A 77 -1.461 -29.255 -22.296 1.00 19.50 O ATOM 0 H ASP A 77 3.107 -30.160 -23.541 1.00 18.45 H new ATOM 0 HA ASP A 77 1.029 -31.763 -22.878 1.00 19.43 H new ATOM 0 HB2 ASP A 77 1.018 -29.288 -22.734 1.00 19.39 H new ATOM 0 HB3 ASP A 77 0.628 -29.366 -24.242 1.00 19.39 H new ATOM 527 N LYS A 78 0.026 -31.859 -25.444 1.00 19.31 N ATOM 528 CA LYS A 78 -0.222 -32.432 -26.777 1.00 20.45 C ATOM 529 C LYS A 78 -0.148 -31.415 -27.925 1.00 20.33 C ATOM 530 O LYS A 78 -0.350 -31.786 -29.084 1.00 19.62 O ATOM 531 CB LYS A 78 -1.605 -33.082 -26.797 1.00 21.27 C ATOM 532 CG LYS A 78 -2.680 -32.050 -26.563 1.00 26.20 C ATOM 533 CD LYS A 78 -4.014 -32.669 -26.224 1.00 29.77 C ATOM 534 CE LYS A 78 -5.056 -31.591 -26.150 1.00 32.82 C ATOM 535 NZ LYS A 78 -5.020 -30.820 -27.424 1.00 36.66 N ATOM 0 H LYS A 78 -0.685 -31.622 -25.022 1.00 19.31 H new ATOM 0 HA LYS A 78 0.487 -33.077 -26.926 1.00 20.45 H new ATOM 0 HB2 LYS A 78 -1.750 -33.519 -27.651 1.00 21.27 H new ATOM 0 HB3 LYS A 78 -1.655 -33.769 -26.114 1.00 21.27 H new ATOM 0 HG2 LYS A 78 -2.407 -31.462 -25.842 1.00 26.20 H new ATOM 0 HG3 LYS A 78 -2.774 -31.500 -27.357 1.00 26.20 H new ATOM 0 HD2 LYS A 78 -4.259 -33.324 -26.896 1.00 29.77 H new ATOM 0 HD3 LYS A 78 -3.959 -33.139 -25.377 1.00 29.77 H new ATOM 0 HE2 LYS A 78 -5.935 -31.979 -26.014 1.00 32.82 H new ATOM 0 HE3 LYS A 78 -4.884 -31.006 -25.396 1.00 32.82 H new ATOM 0 HZ1 LYS A 78 -5.840 -30.539 -27.625 1.00 36.66 H new ATOM 0 HZ2 LYS A 78 -4.481 -30.118 -27.331 1.00 36.66 H new ATOM 0 HZ3 LYS A 78 -4.717 -31.342 -28.078 1.00 36.66 H new ATOM 536 N GLY A 79 0.117 -30.148 -27.601 1.00 18.98 N ATOM 537 CA GLY A 79 0.229 -29.114 -28.618 1.00 18.33 C ATOM 538 C GLY A 79 1.684 -28.759 -28.958 1.00 18.98 C ATOM 539 O GLY A 79 2.593 -29.564 -28.752 1.00 17.14 O ATOM 0 H GLY A 79 0.235 -29.871 -26.795 1.00 18.98 H new ATOM 0 HA2 GLY A 79 -0.223 -29.410 -29.424 1.00 18.33 H new ATOM 0 HA3 GLY A 79 -0.230 -28.316 -28.312 1.00 18.33 H new ATOM 540 N GLN A 80 1.920 -27.555 -29.475 1.00 17.90 N ATOM 541 CA GLN A 80 3.283 -27.155 -29.843 1.00 18.31 C ATOM 542 C GLN A 80 4.194 -27.206 -28.608 1.00 18.38 C ATOM 543 O GLN A 80 3.785 -26.813 -27.520 1.00 16.25 O ATOM 544 CB GLN A 80 3.235 -25.770 -30.489 1.00 19.70 C ATOM 545 CG GLN A 80 2.354 -25.818 -31.765 1.00 19.62 C ATOM 546 CD GLN A 80 2.181 -24.488 -32.455 1.00 21.02 C ATOM 547 OE1 GLN A 80 1.213 -24.297 -33.212 1.00 22.45 O ATOM 548 NE2 GLN A 80 3.124 -23.566 -32.238 1.00 14.90 N ATOM 0 H GLN A 80 1.316 -26.960 -29.620 1.00 17.90 H new ATOM 0 HA GLN A 80 3.659 -27.770 -30.492 1.00 18.31 H new ATOM 0 HB2 GLN A 80 2.876 -25.123 -29.862 1.00 19.70 H new ATOM 0 HB3 GLN A 80 4.132 -25.478 -30.715 1.00 19.70 H new ATOM 0 HG2 GLN A 80 2.746 -26.446 -32.392 1.00 19.62 H new ATOM 0 HG3 GLN A 80 1.479 -26.163 -31.528 1.00 19.62 H new ATOM 0 HE21 GLN A 80 3.778 -23.737 -31.707 1.00 14.90 H new ATOM 0 HE22 GLN A 80 3.076 -22.802 -32.630 1.00 14.90 H new ATOM 549 N ARG A 81 5.419 -27.695 -28.778 1.00 18.41 N ATOM 550 CA ARG A 81 6.336 -27.860 -27.639 1.00 20.56 C ATOM 551 C ARG A 81 7.314 -26.736 -27.339 1.00 18.86 C ATOM 552 O ARG A 81 7.980 -26.774 -26.294 1.00 15.92 O ATOM 553 CB ARG A 81 7.187 -29.115 -27.796 1.00 21.44 C ATOM 554 CG ARG A 81 6.539 -30.245 -28.505 1.00 27.52 C ATOM 555 CD ARG A 81 5.401 -30.780 -27.728 1.00 29.98 C ATOM 556 NE ARG A 81 5.304 -32.218 -27.951 1.00 34.84 N ATOM 557 CZ ARG A 81 4.158 -32.858 -28.086 1.00 33.20 C ATOM 558 NH1 ARG A 81 3.030 -32.171 -28.027 1.00 34.31 N ATOM 559 NH2 ARG A 81 4.145 -34.170 -28.268 1.00 34.35 N ATOM 0 H ARG A 81 5.742 -27.937 -29.537 1.00 18.41 H new ATOM 0 HA ARG A 81 5.708 -27.891 -26.901 1.00 20.56 H new ATOM 0 HB2 ARG A 81 7.998 -28.878 -28.272 1.00 21.44 H new ATOM 0 HB3 ARG A 81 7.453 -29.418 -26.914 1.00 21.44 H new ATOM 0 HG2 ARG A 81 6.229 -29.949 -29.375 1.00 27.52 H new ATOM 0 HG3 ARG A 81 7.188 -30.949 -28.659 1.00 27.52 H new ATOM 0 HD2 ARG A 81 5.525 -30.596 -26.784 1.00 29.98 H new ATOM 0 HD3 ARG A 81 4.578 -30.343 -27.997 1.00 29.98 H new ATOM 0 HE ARG A 81 6.032 -32.673 -27.997 1.00 34.84 H new ATOM 0 HH11 ARG A 81 3.051 -31.320 -27.902 1.00 34.31 H new ATOM 0 HH12 ARG A 81 2.276 -32.575 -28.113 1.00 34.31 H new ATOM 0 HH21 ARG A 81 4.885 -34.607 -28.298 1.00 34.35 H new ATOM 0 HH22 ARG A 81 3.397 -34.585 -28.356 1.00 34.35 H new ATOM 560 N THR A 82 7.445 -25.794 -28.268 1.00 17.95 N ATOM 561 CA THR A 82 8.344 -24.652 -28.091 1.00 18.91 C ATOM 562 C THR A 82 7.669 -23.372 -28.575 1.00 19.07 C ATOM 563 O THR A 82 6.924 -23.402 -29.550 1.00 18.29 O ATOM 564 CB THR A 82 9.635 -24.811 -28.917 1.00 20.94 C ATOM 565 OG1 THR A 82 9.311 -24.749 -30.314 1.00 26.81 O ATOM 566 CG2 THR A 82 10.291 -26.133 -28.637 1.00 20.36 C ATOM 0 H THR A 82 7.019 -25.796 -29.015 1.00 17.95 H new ATOM 0 HA THR A 82 8.556 -24.609 -27.145 1.00 18.91 H new ATOM 0 HB THR A 82 10.245 -24.097 -28.673 1.00 20.94 H new ATOM 0 HG1 THR A 82 10.012 -24.834 -30.769 1.00 26.81 H new ATOM 0 HG21 THR A 82 11.100 -26.212 -29.166 1.00 20.36 H new ATOM 0 HG22 THR A 82 10.515 -26.190 -27.695 1.00 20.36 H new ATOM 0 HG23 THR A 82 9.682 -26.852 -28.869 1.00 20.36 H new ATOM 567 N ASP A 83 7.900 -22.261 -27.879 1.00 18.60 N ATOM 568 CA ASP A 83 7.347 -20.992 -28.317 1.00 20.26 C ATOM 569 C ASP A 83 8.313 -20.362 -29.324 1.00 21.18 C ATOM 570 O ASP A 83 9.347 -20.942 -29.647 1.00 21.99 O ATOM 571 CB ASP A 83 7.080 -20.034 -27.142 1.00 16.53 C ATOM 572 CG ASP A 83 8.337 -19.590 -26.423 1.00 18.45 C ATOM 573 OD1 ASP A 83 9.473 -19.803 -26.917 1.00 17.47 O ATOM 574 OD2 ASP A 83 8.173 -19.012 -25.330 1.00 18.08 O ATOM 0 H ASP A 83 8.369 -22.224 -27.159 1.00 18.60 H new ATOM 0 HA ASP A 83 6.487 -21.156 -28.735 1.00 20.26 H new ATOM 0 HB2 ASP A 83 6.612 -19.251 -27.473 1.00 16.53 H new ATOM 0 HB3 ASP A 83 6.490 -20.470 -26.507 1.00 16.53 H new ATOM 575 N LYS A 84 7.964 -19.181 -29.815 1.00 22.19 N ATOM 576 CA LYS A 84 8.760 -18.472 -30.811 1.00 24.71 C ATOM 577 C LYS A 84 10.181 -18.167 -30.371 1.00 22.90 C ATOM 578 O LYS A 84 11.081 -18.043 -31.204 1.00 21.39 O ATOM 579 CB LYS A 84 8.049 -17.165 -31.208 1.00 25.99 C ATOM 580 CG LYS A 84 7.781 -16.224 -30.046 1.00 31.90 C ATOM 581 CD LYS A 84 6.934 -15.026 -30.470 1.00 36.45 C ATOM 582 CE LYS A 84 5.598 -15.470 -31.050 1.00 39.72 C ATOM 583 NZ LYS A 84 4.858 -14.330 -31.688 1.00 44.33 N ATOM 0 H LYS A 84 7.251 -18.763 -29.578 1.00 22.19 H new ATOM 0 HA LYS A 84 8.836 -19.071 -31.570 1.00 24.71 H new ATOM 0 HB2 LYS A 84 8.589 -16.702 -31.868 1.00 25.99 H new ATOM 0 HB3 LYS A 84 7.206 -17.384 -31.635 1.00 25.99 H new ATOM 0 HG2 LYS A 84 7.327 -16.706 -29.337 1.00 31.90 H new ATOM 0 HG3 LYS A 84 8.624 -15.911 -29.682 1.00 31.90 H new ATOM 0 HD2 LYS A 84 6.781 -14.449 -29.706 1.00 36.45 H new ATOM 0 HD3 LYS A 84 7.417 -14.503 -31.129 1.00 36.45 H new ATOM 0 HE2 LYS A 84 5.747 -16.167 -31.708 1.00 39.72 H new ATOM 0 HE3 LYS A 84 5.053 -15.856 -30.347 1.00 39.72 H new ATOM 0 HZ1 LYS A 84 4.084 -14.624 -32.015 1.00 44.33 H new ATOM 0 HZ2 LYS A 84 4.702 -13.700 -31.079 1.00 44.33 H new ATOM 0 HZ3 LYS A 84 5.349 -13.990 -32.348 1.00 44.33 H new ATOM 584 N TYR A 85 10.378 -18.066 -29.062 1.00 21.61 N ATOM 585 CA TYR A 85 11.691 -17.763 -28.500 1.00 19.84 C ATOM 586 C TYR A 85 12.525 -18.983 -28.163 1.00 18.39 C ATOM 587 O TYR A 85 13.498 -18.868 -27.423 1.00 17.07 O ATOM 588 CB TYR A 85 11.548 -16.929 -27.231 1.00 20.68 C ATOM 589 CG TYR A 85 10.823 -15.630 -27.443 1.00 24.27 C ATOM 590 CD1 TYR A 85 9.444 -15.543 -27.250 1.00 26.86 C ATOM 591 CD2 TYR A 85 11.502 -14.496 -27.885 1.00 24.56 C ATOM 592 CE1 TYR A 85 8.754 -14.361 -27.496 1.00 27.16 C ATOM 593 CE2 TYR A 85 10.812 -13.297 -28.138 1.00 27.86 C ATOM 594 CZ TYR A 85 9.440 -13.246 -27.941 1.00 28.85 C ATOM 595 OH TYR A 85 8.738 -12.085 -28.195 1.00 34.17 O ATOM 0 H TYR A 85 9.758 -18.170 -28.475 1.00 21.61 H new ATOM 0 HA TYR A 85 12.154 -17.276 -29.200 1.00 19.84 H new ATOM 0 HB2 TYR A 85 11.075 -17.449 -26.563 1.00 20.68 H new ATOM 0 HB3 TYR A 85 12.431 -16.744 -26.874 1.00 20.68 H new ATOM 0 HD1 TYR A 85 8.977 -16.290 -26.951 1.00 26.86 H new ATOM 0 HD2 TYR A 85 12.422 -14.533 -28.014 1.00 24.56 H new ATOM 0 HE1 TYR A 85 7.835 -14.321 -27.362 1.00 27.16 H new ATOM 0 HE2 TYR A 85 11.272 -12.545 -28.435 1.00 27.86 H new ATOM 0 HH TYR A 85 9.268 -11.488 -28.456 1.00 34.17 H new ATOM 596 N GLY A 86 12.143 -20.143 -28.689 1.00 16.80 N ATOM 597 CA GLY A 86 12.880 -21.368 -28.411 1.00 13.84 C ATOM 598 C GLY A 86 12.690 -21.964 -27.010 1.00 13.41 C ATOM 599 O GLY A 86 13.407 -22.873 -26.622 1.00 14.25 O ATOM 0 H GLY A 86 11.463 -20.241 -29.207 1.00 16.80 H new ATOM 0 HA2 GLY A 86 12.621 -22.036 -29.065 1.00 13.84 H new ATOM 0 HA3 GLY A 86 13.825 -21.193 -28.543 1.00 13.84 H new ATOM 600 N ARG A 87 11.748 -21.453 -26.229 1.00 13.03 N ATOM 601 CA ARG A 87 11.528 -22.008 -24.895 1.00 13.16 C ATOM 602 C ARG A 87 10.565 -23.217 -24.945 1.00 13.59 C ATOM 603 O ARG A 87 9.539 -23.157 -25.628 1.00 12.71 O ATOM 604 CB ARG A 87 10.942 -20.937 -23.970 1.00 12.96 C ATOM 605 CG ARG A 87 11.863 -19.726 -23.776 1.00 13.42 C ATOM 606 CD ARG A 87 11.192 -18.687 -22.891 1.00 18.38 C ATOM 607 NE ARG A 87 9.964 -18.143 -23.474 1.00 18.43 N ATOM 608 CZ ARG A 87 9.199 -17.235 -22.866 1.00 22.73 C ATOM 609 NH1 ARG A 87 9.535 -16.771 -21.667 1.00 24.53 N ATOM 610 NH2 ARG A 87 8.084 -16.806 -23.433 1.00 23.15 N ATOM 0 H ARG A 87 11.233 -20.798 -26.443 1.00 13.03 H new ATOM 0 HA ARG A 87 12.385 -22.306 -24.553 1.00 13.16 H new ATOM 0 HB2 ARG A 87 10.095 -20.635 -24.333 1.00 12.96 H new ATOM 0 HB3 ARG A 87 10.755 -21.334 -23.105 1.00 12.96 H new ATOM 0 HG2 ARG A 87 12.700 -20.009 -23.375 1.00 13.42 H new ATOM 0 HG3 ARG A 87 12.079 -19.335 -24.637 1.00 13.42 H new ATOM 0 HD2 ARG A 87 10.986 -19.087 -22.031 1.00 18.38 H new ATOM 0 HD3 ARG A 87 11.814 -17.961 -22.725 1.00 18.38 H new ATOM 0 HE ARG A 87 9.723 -18.424 -24.250 1.00 18.43 H new ATOM 0 HH11 ARG A 87 10.248 -17.056 -21.280 1.00 24.53 H new ATOM 0 HH12 ARG A 87 9.039 -16.186 -21.278 1.00 24.53 H new ATOM 0 HH21 ARG A 87 7.846 -17.113 -24.201 1.00 23.15 H new ATOM 0 HH22 ARG A 87 7.597 -16.220 -23.034 1.00 23.15 H new ATOM 611 N GLY A 88 10.914 -24.294 -24.239 1.00 12.17 N ATOM 612 CA GLY A 88 10.059 -25.481 -24.179 1.00 13.23 C ATOM 613 C GLY A 88 8.769 -25.119 -23.450 1.00 13.28 C ATOM 614 O GLY A 88 8.800 -24.379 -22.480 1.00 13.25 O ATOM 0 H GLY A 88 11.643 -24.357 -23.787 1.00 12.17 H new ATOM 0 HA2 GLY A 88 9.862 -25.799 -25.074 1.00 13.23 H new ATOM 0 HA3 GLY A 88 10.516 -26.201 -23.717 1.00 13.23 H new ATOM 615 N LEU A 89 7.628 -25.619 -23.911 1.00 14.75 N ATOM 616 CA LEU A 89 6.346 -25.301 -23.272 1.00 13.67 C ATOM 617 C LEU A 89 5.904 -26.536 -22.526 1.00 12.84 C ATOM 618 O LEU A 89 5.490 -27.505 -23.159 1.00 11.87 O ATOM 619 CB LEU A 89 5.285 -24.934 -24.332 1.00 12.99 C ATOM 620 CG LEU A 89 5.612 -23.691 -25.178 1.00 18.39 C ATOM 621 CD1 LEU A 89 4.533 -23.455 -26.267 1.00 17.32 C ATOM 622 CD2 LEU A 89 5.671 -22.475 -24.266 1.00 16.89 C ATOM 0 H LEU A 89 7.570 -26.143 -24.590 1.00 14.75 H new ATOM 0 HA LEU A 89 6.447 -24.543 -22.675 1.00 13.67 H new ATOM 0 HB2 LEU A 89 5.167 -25.691 -24.927 1.00 12.99 H new ATOM 0 HB3 LEU A 89 4.437 -24.790 -23.884 1.00 12.99 H new ATOM 0 HG LEU A 89 6.465 -23.832 -25.617 1.00 18.39 H new ATOM 0 HD11 LEU A 89 4.762 -22.668 -26.785 1.00 17.32 H new ATOM 0 HD12 LEU A 89 4.491 -24.226 -26.854 1.00 17.32 H new ATOM 0 HD13 LEU A 89 3.670 -23.323 -25.844 1.00 17.32 H new ATOM 0 HD21 LEU A 89 5.877 -21.686 -24.791 1.00 16.89 H new ATOM 0 HD22 LEU A 89 4.814 -22.357 -23.828 1.00 16.89 H new ATOM 0 HD23 LEU A 89 6.360 -22.606 -23.596 1.00 16.89 H new ATOM 623 N ALA A 90 5.956 -26.492 -21.191 1.00 11.45 N ATOM 624 CA ALA A 90 5.608 -27.658 -20.384 1.00 10.12 C ATOM 625 C ALA A 90 5.123 -27.396 -18.978 1.00 12.34 C ATOM 626 O ALA A 90 5.165 -26.268 -18.472 1.00 12.30 O ATOM 627 CB ALA A 90 6.801 -28.557 -20.286 1.00 11.86 C ATOM 0 H ALA A 90 6.189 -25.799 -20.738 1.00 11.45 H new ATOM 0 HA ALA A 90 4.854 -28.050 -20.852 1.00 10.12 H new ATOM 0 HB1 ALA A 90 6.577 -29.335 -19.751 1.00 11.86 H new ATOM 0 HB2 ALA A 90 7.066 -28.842 -21.175 1.00 11.86 H new ATOM 0 HB3 ALA A 90 7.534 -28.078 -19.869 1.00 11.86 H new ATOM 628 N TYR A 91 4.640 -28.481 -18.372 1.00 12.33 N ATOM 629 CA TYR A 91 4.208 -28.509 -16.995 1.00 12.21 C ATOM 630 C TYR A 91 5.486 -29.028 -16.337 1.00 12.89 C ATOM 631 O TYR A 91 6.091 -29.998 -16.820 1.00 12.58 O ATOM 632 CB TYR A 91 3.053 -29.517 -16.824 1.00 13.67 C ATOM 633 CG TYR A 91 1.831 -29.181 -17.662 1.00 14.54 C ATOM 634 CD1 TYR A 91 0.996 -28.113 -17.321 1.00 15.60 C ATOM 635 CD2 TYR A 91 1.513 -29.930 -18.787 1.00 16.05 C ATOM 636 CE1 TYR A 91 -0.136 -27.807 -18.088 1.00 17.78 C ATOM 637 CE2 TYR A 91 0.387 -29.633 -19.567 1.00 18.24 C ATOM 638 CZ TYR A 91 -0.429 -28.576 -19.206 1.00 16.83 C ATOM 639 OH TYR A 91 -1.551 -28.318 -19.943 1.00 17.64 O ATOM 0 H TYR A 91 4.556 -29.238 -18.771 1.00 12.33 H new ATOM 0 HA TYR A 91 3.875 -27.670 -16.640 1.00 12.21 H new ATOM 0 HB2 TYR A 91 3.367 -30.403 -17.063 1.00 13.67 H new ATOM 0 HB3 TYR A 91 2.797 -29.550 -15.889 1.00 13.67 H new ATOM 0 HD1 TYR A 91 1.195 -27.597 -16.573 1.00 15.60 H new ATOM 0 HD2 TYR A 91 2.058 -30.644 -19.028 1.00 16.05 H new ATOM 0 HE1 TYR A 91 -0.686 -27.096 -17.850 1.00 17.78 H new ATOM 0 HE2 TYR A 91 0.190 -30.142 -20.320 1.00 18.24 H new ATOM 0 HH TYR A 91 -1.494 -28.706 -20.686 1.00 17.64 H new ATOM 640 N ILE A 92 5.925 -28.352 -15.286 1.00 12.60 N ATOM 641 CA ILE A 92 7.136 -28.722 -14.570 1.00 12.38 C ATOM 642 C ILE A 92 6.724 -29.272 -13.211 1.00 12.63 C ATOM 643 O ILE A 92 5.905 -28.664 -12.537 1.00 13.07 O ATOM 644 CB ILE A 92 8.036 -27.496 -14.300 1.00 13.78 C ATOM 645 CG1 ILE A 92 8.361 -26.768 -15.612 1.00 12.78 C ATOM 646 CG2 ILE A 92 9.297 -27.930 -13.534 1.00 12.61 C ATOM 647 CD1 ILE A 92 9.054 -27.578 -16.644 1.00 12.31 C ATOM 0 H ILE A 92 5.526 -27.661 -14.965 1.00 12.60 H new ATOM 0 HA ILE A 92 7.623 -29.365 -15.108 1.00 12.38 H new ATOM 0 HB ILE A 92 7.562 -26.861 -13.740 1.00 13.78 H new ATOM 0 HG12 ILE A 92 7.533 -26.433 -15.990 1.00 12.78 H new ATOM 0 HG13 ILE A 92 8.912 -25.997 -15.406 1.00 12.78 H new ATOM 0 HG21 ILE A 92 9.857 -27.156 -13.368 1.00 12.61 H new ATOM 0 HG22 ILE A 92 9.041 -28.330 -12.689 1.00 12.61 H new ATOM 0 HG23 ILE A 92 9.790 -28.578 -14.062 1.00 12.61 H new ATOM 0 HD11 ILE A 92 9.214 -27.033 -17.430 1.00 12.31 H new ATOM 0 HD12 ILE A 92 9.901 -27.894 -16.292 1.00 12.31 H new ATOM 0 HD13 ILE A 92 8.501 -28.337 -16.885 1.00 12.31 H new ATOM 648 N TYR A 93 7.295 -30.416 -12.825 1.00 13.48 N ATOM 649 CA TYR A 93 6.998 -31.036 -11.542 1.00 14.23 C ATOM 650 C TYR A 93 8.240 -31.044 -10.667 1.00 15.93 C ATOM 651 O TYR A 93 9.358 -31.215 -11.168 1.00 15.57 O ATOM 652 CB TYR A 93 6.508 -32.477 -11.741 1.00 14.99 C ATOM 653 CG TYR A 93 5.192 -32.560 -12.470 1.00 14.84 C ATOM 654 CD1 TYR A 93 3.994 -32.708 -11.771 1.00 16.36 C ATOM 655 CD2 TYR A 93 5.145 -32.465 -13.860 1.00 15.06 C ATOM 656 CE1 TYR A 93 2.769 -32.765 -12.443 1.00 17.86 C ATOM 657 CE2 TYR A 93 3.937 -32.517 -14.548 1.00 14.50 C ATOM 658 CZ TYR A 93 2.749 -32.673 -13.833 1.00 18.10 C ATOM 659 OH TYR A 93 1.555 -32.777 -14.506 1.00 16.64 O ATOM 0 H TYR A 93 7.864 -30.850 -13.302 1.00 13.48 H new ATOM 0 HA TYR A 93 6.299 -30.521 -11.109 1.00 14.23 H new ATOM 0 HB2 TYR A 93 7.177 -32.975 -12.236 1.00 14.99 H new ATOM 0 HB3 TYR A 93 6.419 -32.905 -10.875 1.00 14.99 H new ATOM 0 HD1 TYR A 93 4.010 -32.770 -10.843 1.00 16.36 H new ATOM 0 HD2 TYR A 93 5.937 -32.365 -14.337 1.00 15.06 H new ATOM 0 HE1 TYR A 93 1.976 -32.863 -11.967 1.00 17.86 H new ATOM 0 HE2 TYR A 93 3.921 -32.448 -15.475 1.00 14.50 H new ATOM 0 HH TYR A 93 1.703 -32.850 -15.330 1.00 16.64 H new ATOM 660 N ALA A 94 8.033 -30.870 -9.360 1.00 14.60 N ATOM 661 CA ALA A 94 9.129 -30.864 -8.383 1.00 14.47 C ATOM 662 C ALA A 94 8.701 -31.901 -7.366 1.00 15.89 C ATOM 663 O ALA A 94 7.718 -31.697 -6.655 1.00 15.36 O ATOM 664 CB ALA A 94 9.237 -29.512 -7.733 1.00 15.56 C ATOM 0 H ALA A 94 7.255 -30.752 -9.014 1.00 14.60 H new ATOM 0 HA ALA A 94 9.994 -31.054 -8.779 1.00 14.47 H new ATOM 0 HB1 ALA A 94 9.963 -29.519 -7.090 1.00 15.56 H new ATOM 0 HB2 ALA A 94 9.412 -28.840 -8.410 1.00 15.56 H new ATOM 0 HB3 ALA A 94 8.406 -29.304 -7.279 1.00 15.56 H new ATOM 665 N ASP A 95 9.408 -33.030 -7.334 1.00 15.87 N ATOM 666 CA ASP A 95 9.067 -34.104 -6.415 1.00 18.62 C ATOM 667 C ASP A 95 7.603 -34.490 -6.576 1.00 18.61 C ATOM 668 O ASP A 95 6.897 -34.673 -5.601 1.00 17.81 O ATOM 669 CB ASP A 95 9.358 -33.675 -4.969 1.00 19.11 C ATOM 670 CG ASP A 95 10.850 -33.620 -4.674 1.00 20.28 C ATOM 671 OD1 ASP A 95 11.239 -32.938 -3.706 1.00 22.30 O ATOM 672 OD2 ASP A 95 11.629 -34.265 -5.412 1.00 20.98 O ATOM 0 H ASP A 95 10.087 -33.190 -7.837 1.00 15.87 H new ATOM 0 HA ASP A 95 9.612 -34.879 -6.621 1.00 18.62 H new ATOM 0 HB2 ASP A 95 8.966 -32.803 -4.807 1.00 19.11 H new ATOM 0 HB3 ASP A 95 8.932 -34.296 -4.357 1.00 19.11 H new ATOM 673 N GLY A 96 7.165 -34.622 -7.826 1.00 19.28 N ATOM 674 CA GLY A 96 5.789 -34.995 -8.105 1.00 19.71 C ATOM 675 C GLY A 96 4.722 -33.910 -7.997 1.00 18.49 C ATOM 676 O GLY A 96 3.564 -34.161 -8.319 1.00 17.52 O ATOM 0 H GLY A 96 7.652 -34.499 -8.524 1.00 19.28 H new ATOM 0 HA2 GLY A 96 5.755 -35.358 -9.004 1.00 19.71 H new ATOM 0 HA3 GLY A 96 5.546 -35.713 -7.500 1.00 19.71 H new ATOM 677 N LYS A 97 5.073 -32.715 -7.534 1.00 18.72 N ATOM 678 CA LYS A 97 4.059 -31.646 -7.433 1.00 18.91 C ATOM 679 C LYS A 97 4.269 -30.657 -8.580 1.00 17.53 C ATOM 680 O LYS A 97 5.389 -30.193 -8.797 1.00 15.36 O ATOM 681 CB LYS A 97 4.154 -30.919 -6.076 1.00 22.59 C ATOM 682 CG LYS A 97 3.997 -31.856 -4.873 1.00 24.88 C ATOM 683 CD LYS A 97 3.813 -31.093 -3.564 1.00 31.52 C ATOM 684 CE LYS A 97 3.444 -32.054 -2.418 1.00 34.10 C ATOM 685 NZ LYS A 97 3.396 -31.383 -1.077 1.00 35.82 N ATOM 0 H LYS A 97 5.865 -32.498 -7.278 1.00 18.72 H new ATOM 0 HA LYS A 97 3.175 -32.040 -7.494 1.00 18.91 H new ATOM 0 HB2 LYS A 97 5.011 -30.468 -6.017 1.00 22.59 H new ATOM 0 HB3 LYS A 97 3.469 -30.233 -6.035 1.00 22.59 H new ATOM 0 HG2 LYS A 97 3.234 -32.437 -5.016 1.00 24.88 H new ATOM 0 HG3 LYS A 97 4.779 -32.426 -4.805 1.00 24.88 H new ATOM 0 HD2 LYS A 97 4.630 -30.619 -3.344 1.00 31.52 H new ATOM 0 HD3 LYS A 97 3.117 -30.426 -3.669 1.00 31.52 H new ATOM 0 HE2 LYS A 97 2.580 -32.454 -2.604 1.00 34.10 H new ATOM 0 HE3 LYS A 97 4.090 -32.777 -2.389 1.00 34.10 H new ATOM 0 HZ1 LYS A 97 3.179 -31.980 -0.454 1.00 35.82 H new ATOM 0 HZ2 LYS A 97 4.194 -31.035 -0.890 1.00 35.82 H new ATOM 0 HZ3 LYS A 97 2.786 -30.735 -1.091 1.00 35.82 H new ATOM 686 N MET A 98 3.197 -30.320 -9.293 1.00 15.46 N ATOM 687 CA MET A 98 3.311 -29.432 -10.456 1.00 16.81 C ATOM 688 C MET A 98 3.546 -27.977 -10.037 1.00 16.45 C ATOM 689 O MET A 98 2.747 -27.405 -9.295 1.00 14.66 O ATOM 690 CB MET A 98 2.037 -29.527 -11.312 1.00 14.78 C ATOM 691 CG MET A 98 2.210 -29.044 -12.754 1.00 15.25 C ATOM 692 SD MET A 98 0.646 -28.509 -13.513 1.00 16.51 S ATOM 693 CE MET A 98 -0.361 -30.085 -13.395 1.00 16.74 C ATOM 0 H MET A 98 2.398 -30.591 -9.124 1.00 15.46 H new ATOM 0 HA MET A 98 4.078 -29.720 -10.975 1.00 16.81 H new ATOM 0 HB2 MET A 98 1.736 -30.449 -11.325 1.00 14.78 H new ATOM 0 HB3 MET A 98 1.336 -29.006 -10.889 1.00 14.78 H new ATOM 0 HG2 MET A 98 2.841 -28.307 -12.770 1.00 15.25 H new ATOM 0 HG3 MET A 98 2.595 -29.758 -13.286 1.00 15.25 H new ATOM 0 HE1 MET A 98 -1.252 -29.927 -13.745 1.00 16.74 H new ATOM 0 HE2 MET A 98 0.070 -30.784 -13.911 1.00 16.74 H new ATOM 0 HE3 MET A 98 -0.423 -30.361 -12.467 1.00 16.74 H new ATOM 694 N VAL A 99 4.642 -27.382 -10.508 1.00 15.73 N ATOM 695 CA VAL A 99 4.953 -25.993 -10.149 1.00 12.96 C ATOM 696 C VAL A 99 3.890 -25.046 -10.702 1.00 14.49 C ATOM 697 O VAL A 99 3.499 -24.082 -10.035 1.00 13.79 O ATOM 698 CB VAL A 99 6.333 -25.573 -10.705 1.00 14.71 C ATOM 699 CG1 VAL A 99 6.660 -24.117 -10.278 1.00 11.31 C ATOM 700 CG2 VAL A 99 7.410 -26.548 -10.188 1.00 13.75 C ATOM 0 H VAL A 99 5.213 -27.757 -11.030 1.00 15.73 H new ATOM 0 HA VAL A 99 4.968 -25.938 -9.181 1.00 12.96 H new ATOM 0 HB VAL A 99 6.317 -25.607 -11.674 1.00 14.71 H new ATOM 0 HG11 VAL A 99 7.527 -23.863 -10.631 1.00 11.31 H new ATOM 0 HG12 VAL A 99 5.981 -23.517 -10.626 1.00 11.31 H new ATOM 0 HG13 VAL A 99 6.676 -24.059 -9.310 1.00 11.31 H new ATOM 0 HG21 VAL A 99 8.277 -26.287 -10.536 1.00 13.75 H new ATOM 0 HG22 VAL A 99 7.430 -26.524 -9.219 1.00 13.75 H new ATOM 0 HG23 VAL A 99 7.201 -27.448 -10.484 1.00 13.75 H new ATOM 701 N ASN A 100 3.417 -25.330 -11.918 1.00 14.86 N ATOM 702 CA ASN A 100 2.390 -24.504 -12.563 1.00 14.38 C ATOM 703 C ASN A 100 1.158 -24.416 -11.637 1.00 16.36 C ATOM 704 O ASN A 100 0.623 -23.324 -11.378 1.00 15.78 O ATOM 705 CB ASN A 100 1.954 -25.120 -13.897 1.00 14.47 C ATOM 706 CG ASN A 100 3.125 -25.556 -14.768 1.00 16.12 C ATOM 707 OD1 ASN A 100 4.048 -26.245 -14.310 1.00 13.98 O ATOM 708 ND2 ASN A 100 3.082 -25.168 -16.048 1.00 13.49 N ATOM 0 H ASN A 100 3.679 -26.000 -12.389 1.00 14.86 H new ATOM 0 HA ASN A 100 2.761 -23.623 -12.727 1.00 14.38 H new ATOM 0 HB2 ASN A 100 1.386 -25.886 -13.722 1.00 14.47 H new ATOM 0 HB3 ASN A 100 1.418 -24.475 -14.385 1.00 14.47 H new ATOM 0 HD21 ASN A 100 3.711 -25.397 -16.588 1.00 13.49 H new ATOM 0 HD22 ASN A 100 2.425 -24.690 -16.331 1.00 13.49 H new ATOM 709 N GLU A 101 0.705 -25.563 -11.139 1.00 14.08 N ATOM 710 CA GLU A 101 -0.474 -25.580 -10.273 1.00 15.41 C ATOM 711 C GLU A 101 -0.229 -24.917 -8.926 1.00 14.84 C ATOM 712 O GLU A 101 -1.030 -24.102 -8.467 1.00 15.20 O ATOM 713 CB GLU A 101 -0.952 -27.021 -10.032 1.00 17.87 C ATOM 714 CG GLU A 101 -2.357 -27.107 -9.432 1.00 16.94 C ATOM 715 CD GLU A 101 -2.723 -28.518 -8.989 1.00 24.46 C ATOM 716 OE1 GLU A 101 -3.829 -28.693 -8.420 1.00 28.23 O ATOM 717 OE2 GLU A 101 -1.911 -29.454 -9.198 1.00 25.98 O ATOM 0 H GLU A 101 1.059 -26.333 -11.287 1.00 14.08 H new ATOM 0 HA GLU A 101 -1.155 -25.071 -10.740 1.00 15.41 H new ATOM 0 HB2 GLU A 101 -0.937 -27.504 -10.873 1.00 17.87 H new ATOM 0 HB3 GLU A 101 -0.327 -27.466 -9.439 1.00 17.87 H new ATOM 0 HG2 GLU A 101 -2.417 -26.508 -8.672 1.00 16.94 H new ATOM 0 HG3 GLU A 101 -3.003 -26.800 -10.087 1.00 16.94 H new ATOM 718 N ALA A 102 0.876 -25.268 -8.283 1.00 15.41 N ATOM 719 CA ALA A 102 1.186 -24.693 -6.986 1.00 16.80 C ATOM 720 C ALA A 102 1.182 -23.173 -7.083 1.00 17.27 C ATOM 721 O ALA A 102 0.664 -22.489 -6.207 1.00 15.74 O ATOM 722 CB ALA A 102 2.567 -25.207 -6.475 1.00 18.72 C ATOM 0 H ALA A 102 1.454 -25.832 -8.578 1.00 15.41 H new ATOM 0 HA ALA A 102 0.508 -24.969 -6.349 1.00 16.80 H new ATOM 0 HB1 ALA A 102 2.759 -24.814 -5.609 1.00 18.72 H new ATOM 0 HB2 ALA A 102 2.543 -26.173 -6.393 1.00 18.72 H new ATOM 0 HB3 ALA A 102 3.260 -24.954 -7.105 1.00 18.72 H new ATOM 723 N LEU A 103 1.752 -22.646 -8.162 1.00 18.29 N ATOM 724 CA LEU A 103 1.815 -21.196 -8.363 1.00 18.43 C ATOM 725 C LEU A 103 0.439 -20.568 -8.380 1.00 17.34 C ATOM 726 O LEU A 103 0.186 -19.554 -7.738 1.00 16.87 O ATOM 727 CB LEU A 103 2.492 -20.859 -9.702 1.00 20.42 C ATOM 728 CG LEU A 103 3.999 -20.567 -9.807 1.00 21.66 C ATOM 729 CD1 LEU A 103 4.362 -20.307 -11.272 1.00 20.36 C ATOM 730 CD2 LEU A 103 4.342 -19.346 -8.976 1.00 20.93 C ATOM 0 H LEU A 103 2.110 -23.109 -8.792 1.00 18.29 H new ATOM 0 HA LEU A 103 2.327 -20.841 -7.619 1.00 18.43 H new ATOM 0 HB2 LEU A 103 2.309 -21.599 -10.301 1.00 20.42 H new ATOM 0 HB3 LEU A 103 2.032 -20.084 -10.060 1.00 20.42 H new ATOM 0 HG LEU A 103 4.500 -21.329 -9.477 1.00 21.66 H new ATOM 0 HD11 LEU A 103 5.312 -20.122 -11.342 1.00 20.36 H new ATOM 0 HD12 LEU A 103 4.145 -21.089 -11.803 1.00 20.36 H new ATOM 0 HD13 LEU A 103 3.860 -19.545 -11.600 1.00 20.36 H new ATOM 0 HD21 LEU A 103 5.292 -19.165 -9.044 1.00 20.93 H new ATOM 0 HD22 LEU A 103 3.843 -18.581 -9.303 1.00 20.93 H new ATOM 0 HD23 LEU A 103 4.110 -19.510 -8.048 1.00 20.93 H new ATOM 731 N VAL A 104 -0.440 -21.149 -9.174 1.00 17.86 N ATOM 732 CA VAL A 104 -1.792 -20.623 -9.297 1.00 17.96 C ATOM 733 C VAL A 104 -2.497 -20.738 -7.938 1.00 18.19 C ATOM 734 O VAL A 104 -3.111 -19.770 -7.467 1.00 18.69 O ATOM 735 CB VAL A 104 -2.591 -21.435 -10.376 1.00 19.12 C ATOM 736 CG1 VAL A 104 -4.035 -21.000 -10.403 1.00 16.74 C ATOM 737 CG2 VAL A 104 -1.952 -21.229 -11.767 1.00 18.21 C ATOM 0 H VAL A 104 -0.279 -21.847 -9.650 1.00 17.86 H new ATOM 0 HA VAL A 104 -1.753 -19.694 -9.572 1.00 17.96 H new ATOM 0 HB VAL A 104 -2.557 -22.376 -10.145 1.00 19.12 H new ATOM 0 HG11 VAL A 104 -4.514 -21.511 -11.074 1.00 16.74 H new ATOM 0 HG12 VAL A 104 -4.436 -21.154 -9.533 1.00 16.74 H new ATOM 0 HG13 VAL A 104 -4.085 -20.056 -10.619 1.00 16.74 H new ATOM 0 HG21 VAL A 104 -2.450 -21.733 -12.430 1.00 18.21 H new ATOM 0 HG22 VAL A 104 -1.972 -20.287 -11.996 1.00 18.21 H new ATOM 0 HG23 VAL A 104 -1.033 -21.538 -11.750 1.00 18.21 H new ATOM 738 N ARG A 105 -2.384 -21.913 -7.314 1.00 18.30 N ATOM 739 CA ARG A 105 -3.047 -22.188 -6.027 1.00 20.09 C ATOM 740 C ARG A 105 -2.605 -21.230 -4.947 1.00 20.65 C ATOM 741 O ARG A 105 -3.402 -20.849 -4.087 1.00 20.14 O ATOM 742 CB ARG A 105 -2.787 -23.630 -5.549 1.00 20.82 C ATOM 743 CG ARG A 105 -3.492 -24.002 -4.205 1.00 21.50 C ATOM 744 CD ARG A 105 -5.020 -24.132 -4.355 1.00 20.16 C ATOM 745 NE ARG A 105 -5.717 -24.293 -3.069 1.00 20.72 N ATOM 746 CZ ARG A 105 -5.926 -23.307 -2.192 1.00 20.08 C ATOM 747 NH1 ARG A 105 -5.501 -22.071 -2.450 1.00 20.67 N ATOM 748 NH2 ARG A 105 -6.536 -23.559 -1.038 1.00 17.73 N ATOM 0 H ARG A 105 -1.924 -22.572 -7.620 1.00 18.30 H new ATOM 0 HA ARG A 105 -3.997 -22.069 -6.185 1.00 20.09 H new ATOM 0 HB2 ARG A 105 -3.083 -24.246 -6.238 1.00 20.82 H new ATOM 0 HB3 ARG A 105 -1.831 -23.757 -5.446 1.00 20.82 H new ATOM 0 HG2 ARG A 105 -3.130 -24.839 -3.875 1.00 21.50 H new ATOM 0 HG3 ARG A 105 -3.292 -23.325 -3.540 1.00 21.50 H new ATOM 0 HD2 ARG A 105 -5.363 -23.345 -4.806 1.00 20.16 H new ATOM 0 HD3 ARG A 105 -5.220 -24.893 -4.922 1.00 20.16 H new ATOM 0 HE ARG A 105 -6.010 -25.076 -2.868 1.00 20.72 H new ATOM 0 HH11 ARG A 105 -5.089 -21.903 -3.186 1.00 20.67 H new ATOM 0 HH12 ARG A 105 -5.639 -21.441 -1.881 1.00 20.67 H new ATOM 0 HH21 ARG A 105 -6.797 -24.358 -0.855 1.00 17.73 H new ATOM 0 HH22 ARG A 105 -6.670 -22.923 -0.475 1.00 17.73 H new ATOM 749 N GLN A 106 -1.331 -20.843 -4.981 1.00 21.09 N ATOM 750 CA GLN A 106 -0.806 -19.914 -3.978 1.00 21.25 C ATOM 751 C GLN A 106 -1.185 -18.458 -4.315 1.00 21.12 C ATOM 752 O GLN A 106 -0.798 -17.528 -3.607 1.00 20.16 O ATOM 753 CB GLN A 106 0.712 -20.039 -3.904 1.00 22.52 C ATOM 754 CG GLN A 106 1.324 -19.486 -2.629 1.00 24.33 C ATOM 755 CD GLN A 106 1.168 -20.420 -1.433 1.00 22.98 C ATOM 756 OE1 GLN A 106 1.449 -20.038 -0.303 1.00 25.56 O ATOM 757 NE2 GLN A 106 0.733 -21.651 -1.683 1.00 20.45 N ATOM 0 H GLN A 106 -0.759 -21.102 -5.569 1.00 21.09 H new ATOM 0 HA GLN A 106 -1.198 -20.143 -3.121 1.00 21.25 H new ATOM 0 HB2 GLN A 106 0.953 -20.975 -3.986 1.00 22.52 H new ATOM 0 HB3 GLN A 106 1.101 -19.578 -4.663 1.00 22.52 H new ATOM 0 HG2 GLN A 106 2.267 -19.315 -2.778 1.00 24.33 H new ATOM 0 HG3 GLN A 106 0.910 -18.633 -2.422 1.00 24.33 H new ATOM 0 HE21 GLN A 106 0.545 -21.885 -2.489 1.00 20.45 H new ATOM 0 HE22 GLN A 106 0.640 -22.213 -1.039 1.00 20.45 H new ATOM 758 N GLY A 107 -1.937 -18.269 -5.397 1.00 20.44 N ATOM 759 CA GLY A 107 -2.336 -16.927 -5.801 1.00 21.84 C ATOM 760 C GLY A 107 -1.155 -16.101 -6.295 1.00 22.66 C ATOM 761 O GLY A 107 -1.165 -14.862 -6.203 1.00 21.73 O ATOM 0 H GLY A 107 -2.224 -18.900 -5.906 1.00 20.44 H new ATOM 0 HA2 GLY A 107 -3.003 -16.987 -6.503 1.00 21.84 H new ATOM 0 HA3 GLY A 107 -2.753 -16.476 -5.051 1.00 21.84 H new ATOM 762 N LEU A 108 -0.133 -16.788 -6.817 1.00 21.11 N ATOM 763 CA LEU A 108 1.069 -16.118 -7.311 1.00 21.31 C ATOM 764 C LEU A 108 1.161 -16.086 -8.841 1.00 21.79 C ATOM 765 O LEU A 108 2.201 -15.713 -9.410 1.00 22.83 O ATOM 766 CB LEU A 108 2.308 -16.783 -6.703 1.00 20.79 C ATOM 767 CG LEU A 108 2.441 -16.637 -5.181 1.00 20.74 C ATOM 768 CD1 LEU A 108 3.622 -17.490 -4.684 1.00 20.76 C ATOM 769 CD2 LEU A 108 2.645 -15.150 -4.812 1.00 21.49 C ATOM 0 H LEU A 108 -0.119 -17.645 -6.893 1.00 21.11 H new ATOM 0 HA LEU A 108 1.019 -15.191 -7.031 1.00 21.31 H new ATOM 0 HB2 LEU A 108 2.293 -17.727 -6.924 1.00 20.79 H new ATOM 0 HB3 LEU A 108 3.098 -16.407 -7.121 1.00 20.79 H new ATOM 0 HG LEU A 108 1.629 -16.949 -4.751 1.00 20.74 H new ATOM 0 HD11 LEU A 108 3.706 -17.398 -3.722 1.00 20.76 H new ATOM 0 HD12 LEU A 108 3.465 -18.421 -4.907 1.00 20.76 H new ATOM 0 HD13 LEU A 108 4.440 -17.190 -5.110 1.00 20.76 H new ATOM 0 HD21 LEU A 108 2.728 -15.064 -3.849 1.00 21.49 H new ATOM 0 HD22 LEU A 108 3.452 -14.819 -5.237 1.00 21.49 H new ATOM 0 HD23 LEU A 108 1.883 -14.633 -5.118 1.00 21.49 H new ATOM 770 N ALA A 109 0.070 -16.488 -9.491 1.00 20.11 N ATOM 771 CA ALA A 109 -0.041 -16.486 -10.938 1.00 20.60 C ATOM 772 C ALA A 109 -1.496 -16.670 -11.338 1.00 23.13 C ATOM 773 O ALA A 109 -2.289 -17.265 -10.604 1.00 21.53 O ATOM 774 CB ALA A 109 0.806 -17.609 -11.555 1.00 21.35 C ATOM 0 H ALA A 109 -0.636 -16.774 -9.092 1.00 20.11 H new ATOM 0 HA ALA A 109 0.287 -15.635 -11.269 1.00 20.60 H new ATOM 0 HB1 ALA A 109 0.717 -17.589 -12.521 1.00 21.35 H new ATOM 0 HB2 ALA A 109 1.737 -17.482 -11.314 1.00 21.35 H new ATOM 0 HB3 ALA A 109 0.500 -18.467 -11.221 1.00 21.35 H new ATOM 775 N LYS A 110 -1.849 -16.127 -12.497 1.00 23.67 N ATOM 776 CA LYS A 110 -3.190 -16.277 -13.019 1.00 24.57 C ATOM 777 C LYS A 110 -3.102 -17.338 -14.110 1.00 24.17 C ATOM 778 O LYS A 110 -2.009 -17.629 -14.619 1.00 20.60 O ATOM 779 CB LYS A 110 -3.690 -14.951 -13.603 1.00 28.25 C ATOM 780 CG LYS A 110 -3.695 -13.806 -12.578 1.00 32.97 C ATOM 781 CD LYS A 110 -4.328 -12.523 -13.147 1.00 36.71 C ATOM 782 CE LYS A 110 -4.430 -11.438 -12.066 1.00 40.06 C ATOM 783 NZ LYS A 110 -4.892 -10.121 -12.604 1.00 42.15 N ATOM 0 H LYS A 110 -1.320 -15.667 -12.995 1.00 23.67 H new ATOM 0 HA LYS A 110 -3.813 -16.535 -12.322 1.00 24.57 H new ATOM 0 HB2 LYS A 110 -3.129 -14.703 -14.355 1.00 28.25 H new ATOM 0 HB3 LYS A 110 -4.588 -15.074 -13.948 1.00 28.25 H new ATOM 0 HG2 LYS A 110 -4.184 -14.083 -11.787 1.00 32.97 H new ATOM 0 HG3 LYS A 110 -2.785 -13.620 -12.298 1.00 32.97 H new ATOM 0 HD2 LYS A 110 -3.796 -12.197 -13.889 1.00 36.71 H new ATOM 0 HD3 LYS A 110 -5.211 -12.721 -13.497 1.00 36.71 H new ATOM 0 HE2 LYS A 110 -5.044 -11.733 -11.375 1.00 40.06 H new ATOM 0 HE3 LYS A 110 -3.563 -11.324 -11.646 1.00 40.06 H new ATOM 0 HZ1 LYS A 110 -4.935 -9.528 -11.942 1.00 42.15 H new ATOM 0 HZ2 LYS A 110 -4.319 -9.835 -13.222 1.00 42.15 H new ATOM 0 HZ3 LYS A 110 -5.698 -10.216 -12.969 1.00 42.15 H new ATOM 784 N VAL A 111 -4.239 -17.941 -14.439 1.00 22.72 N ATOM 785 CA VAL A 111 -4.271 -18.942 -15.479 1.00 23.16 C ATOM 786 C VAL A 111 -4.320 -18.152 -16.777 1.00 25.34 C ATOM 787 O VAL A 111 -5.132 -17.236 -16.923 1.00 22.95 O ATOM 788 CB VAL A 111 -5.515 -19.817 -15.389 1.00 23.14 C ATOM 789 CG1 VAL A 111 -5.573 -20.735 -16.582 1.00 21.75 C ATOM 790 CG2 VAL A 111 -5.502 -20.611 -14.090 1.00 22.31 C ATOM 0 H VAL A 111 -4.999 -17.781 -14.069 1.00 22.72 H new ATOM 0 HA VAL A 111 -3.505 -19.534 -15.410 1.00 23.16 H new ATOM 0 HB VAL A 111 -6.307 -19.257 -15.391 1.00 23.14 H new ATOM 0 HG11 VAL A 111 -6.365 -21.292 -16.524 1.00 21.75 H new ATOM 0 HG12 VAL A 111 -5.608 -20.207 -17.395 1.00 21.75 H new ATOM 0 HG13 VAL A 111 -4.783 -21.298 -16.596 1.00 21.75 H new ATOM 0 HG21 VAL A 111 -6.297 -21.165 -14.041 1.00 22.31 H new ATOM 0 HG22 VAL A 111 -4.713 -21.175 -14.063 1.00 22.31 H new ATOM 0 HG23 VAL A 111 -5.488 -20.000 -13.337 1.00 22.31 H new ATOM 791 N ALA A 112 -3.456 -18.519 -17.715 1.00 25.93 N ATOM 792 CA ALA A 112 -3.367 -17.828 -18.995 1.00 27.73 C ATOM 793 C ALA A 112 -4.202 -18.506 -20.068 1.00 29.98 C ATOM 794 O ALA A 112 -4.693 -19.623 -19.881 1.00 30.37 O ATOM 795 CB ALA A 112 -1.903 -17.760 -19.436 1.00 28.55 C ATOM 0 H ALA A 112 -2.906 -19.174 -17.628 1.00 25.93 H new ATOM 0 HA ALA A 112 -3.721 -16.933 -18.876 1.00 27.73 H new ATOM 0 HB1 ALA A 112 -1.843 -17.300 -20.288 1.00 28.55 H new ATOM 0 HB2 ALA A 112 -1.387 -17.278 -18.771 1.00 28.55 H new ATOM 0 HB3 ALA A 112 -1.551 -18.659 -19.529 1.00 28.55 H new ATOM 796 N TYR A 113 -4.365 -17.815 -21.192 1.00 31.85 N ATOM 797 CA TYR A 113 -5.124 -18.337 -22.317 1.00 33.96 C ATOM 798 C TYR A 113 -4.471 -19.601 -22.841 1.00 33.87 C ATOM 799 O TYR A 113 -3.254 -19.752 -22.754 1.00 33.78 O ATOM 800 CB TYR A 113 -5.160 -17.322 -23.461 1.00 37.08 C ATOM 801 CG TYR A 113 -6.065 -16.135 -23.243 1.00 39.67 C ATOM 802 CD1 TYR A 113 -5.537 -14.871 -22.984 1.00 40.42 C ATOM 803 CD2 TYR A 113 -7.453 -16.266 -23.354 1.00 40.86 C ATOM 804 CE1 TYR A 113 -6.369 -13.754 -22.848 1.00 43.22 C ATOM 805 CE2 TYR A 113 -8.296 -15.158 -23.219 1.00 43.98 C ATOM 806 CZ TYR A 113 -7.744 -13.904 -22.971 1.00 44.01 C ATOM 807 OH TYR A 113 -8.565 -12.802 -22.880 1.00 45.40 O ATOM 0 H TYR A 113 -4.038 -17.030 -21.322 1.00 31.85 H new ATOM 0 HA TYR A 113 -6.025 -18.520 -22.007 1.00 33.96 H new ATOM 0 HB2 TYR A 113 -4.259 -16.999 -23.615 1.00 37.08 H new ATOM 0 HB3 TYR A 113 -5.439 -17.779 -24.270 1.00 37.08 H new ATOM 0 HD1 TYR A 113 -4.616 -14.768 -22.900 1.00 40.42 H new ATOM 0 HD2 TYR A 113 -7.822 -17.104 -23.520 1.00 40.86 H new ATOM 0 HE1 TYR A 113 -6.003 -12.916 -22.676 1.00 43.22 H new ATOM 0 HE2 TYR A 113 -9.218 -15.258 -23.294 1.00 43.98 H new ATOM 0 HH TYR A 113 -9.365 -13.040 -22.973 1.00 45.40 H new ATOM 808 N VAL A 114 -5.278 -20.512 -23.378 1.00 33.07 N ATOM 809 CA VAL A 114 -4.728 -21.726 -23.943 1.00 33.60 C ATOM 810 C VAL A 114 -3.889 -21.290 -25.142 1.00 34.28 C ATOM 811 O VAL A 114 -4.242 -20.342 -25.850 1.00 35.82 O ATOM 812 CB VAL A 114 -5.828 -22.703 -24.408 1.00 33.15 C ATOM 813 CG1 VAL A 114 -5.209 -23.797 -25.271 1.00 31.74 C ATOM 814 CG2 VAL A 114 -6.507 -23.336 -23.192 1.00 33.08 C ATOM 0 H VAL A 114 -6.134 -20.443 -23.422 1.00 33.07 H new ATOM 0 HA VAL A 114 -4.206 -22.197 -23.275 1.00 33.60 H new ATOM 0 HB VAL A 114 -6.488 -22.216 -24.926 1.00 33.15 H new ATOM 0 HG11 VAL A 114 -5.902 -24.410 -25.562 1.00 31.74 H new ATOM 0 HG12 VAL A 114 -4.785 -23.397 -26.046 1.00 31.74 H new ATOM 0 HG13 VAL A 114 -4.546 -24.281 -24.754 1.00 31.74 H new ATOM 0 HG21 VAL A 114 -7.197 -23.949 -23.489 1.00 33.08 H new ATOM 0 HG22 VAL A 114 -5.849 -23.820 -22.669 1.00 33.08 H new ATOM 0 HG23 VAL A 114 -6.906 -22.641 -22.646 1.00 33.08 H new ATOM 815 N TYR A 115 -2.771 -21.972 -25.345 1.00 33.48 N ATOM 816 CA TYR A 115 -1.852 -21.663 -26.432 1.00 34.90 C ATOM 817 C TYR A 115 -1.594 -22.906 -27.279 1.00 32.73 C ATOM 818 O TYR A 115 -1.149 -23.932 -26.767 1.00 33.59 O ATOM 819 CB TYR A 115 -0.520 -21.157 -25.848 1.00 35.84 C ATOM 820 CG TYR A 115 0.561 -20.888 -26.881 1.00 38.87 C ATOM 821 CD1 TYR A 115 0.569 -19.702 -27.627 1.00 38.13 C ATOM 822 CD2 TYR A 115 1.553 -21.835 -27.140 1.00 36.97 C ATOM 823 CE1 TYR A 115 1.536 -19.476 -28.605 1.00 38.35 C ATOM 824 CE2 TYR A 115 2.519 -21.619 -28.113 1.00 37.28 C ATOM 825 CZ TYR A 115 2.508 -20.446 -28.843 1.00 38.05 C ATOM 826 OH TYR A 115 3.445 -20.257 -29.828 1.00 36.80 O ATOM 0 H TYR A 115 -2.522 -22.632 -24.853 1.00 33.48 H new ATOM 0 HA TYR A 115 -2.248 -20.977 -26.992 1.00 34.90 H new ATOM 0 HB2 TYR A 115 -0.687 -20.340 -25.352 1.00 35.84 H new ATOM 0 HB3 TYR A 115 -0.189 -21.812 -25.213 1.00 35.84 H new ATOM 0 HD1 TYR A 115 -0.081 -19.056 -27.467 1.00 38.13 H new ATOM 0 HD2 TYR A 115 1.567 -22.626 -26.651 1.00 36.97 H new ATOM 0 HE1 TYR A 115 1.533 -18.685 -29.094 1.00 38.35 H new ATOM 0 HE2 TYR A 115 3.172 -22.262 -28.273 1.00 37.28 H new ATOM 0 HH TYR A 115 3.489 -20.944 -30.309 1.00 36.80 H new ATOM 827 N LYS A 116 -1.904 -22.807 -28.565 1.00 30.71 N ATOM 828 CA LYS A 116 -1.684 -23.880 -29.529 1.00 29.25 C ATOM 829 C LYS A 116 -2.063 -25.316 -29.148 1.00 26.40 C ATOM 830 O LYS A 116 -1.299 -26.239 -29.399 1.00 25.88 O ATOM 831 CB LYS A 116 -0.219 -23.863 -29.953 1.00 31.03 C ATOM 832 CG LYS A 116 0.270 -22.501 -30.432 1.00 36.20 C ATOM 833 CD LYS A 116 -0.698 -21.883 -31.432 1.00 37.63 C ATOM 834 CE LYS A 116 0.028 -21.004 -32.436 1.00 40.05 C ATOM 835 NZ LYS A 116 -0.938 -20.312 -33.331 1.00 41.20 N ATOM 0 H LYS A 116 -2.255 -22.102 -28.910 1.00 30.71 H new ATOM 0 HA LYS A 116 -2.314 -23.667 -30.235 1.00 29.25 H new ATOM 0 HB2 LYS A 116 0.328 -24.148 -29.205 1.00 31.03 H new ATOM 0 HB3 LYS A 116 -0.089 -24.511 -30.663 1.00 31.03 H new ATOM 0 HG2 LYS A 116 0.375 -21.908 -29.672 1.00 36.20 H new ATOM 0 HG3 LYS A 116 1.144 -22.595 -30.841 1.00 36.20 H new ATOM 0 HD2 LYS A 116 -1.174 -22.586 -31.900 1.00 37.63 H new ATOM 0 HD3 LYS A 116 -1.362 -21.357 -30.959 1.00 37.63 H new ATOM 0 HE2 LYS A 116 0.567 -20.348 -31.967 1.00 40.05 H new ATOM 0 HE3 LYS A 116 0.635 -21.544 -32.965 1.00 40.05 H new ATOM 0 HZ1 LYS A 116 -0.494 -19.803 -33.911 1.00 41.20 H new ATOM 0 HZ2 LYS A 116 -1.418 -20.916 -33.774 1.00 41.20 H new ATOM 0 HZ3 LYS A 116 -1.481 -19.802 -32.844 1.00 41.20 H new ATOM 836 N GLY A 117 -3.233 -25.509 -28.558 1.00 25.06 N ATOM 837 CA GLY A 117 -3.659 -26.852 -28.194 1.00 24.00 C ATOM 838 C GLY A 117 -3.099 -27.436 -26.896 1.00 23.26 C ATOM 839 O GLY A 117 -3.354 -28.605 -26.573 1.00 22.84 O ATOM 0 H GLY A 117 -3.790 -24.884 -28.361 1.00 25.06 H new ATOM 0 HA2 GLY A 117 -4.627 -26.854 -28.131 1.00 24.00 H new ATOM 0 HA3 GLY A 117 -3.421 -27.450 -28.920 1.00 24.00 H new ATOM 840 N ASN A 118 -2.331 -26.644 -26.154 1.00 22.02 N ATOM 841 CA ASN A 118 -1.758 -27.104 -24.888 1.00 21.94 C ATOM 842 C ASN A 118 -2.722 -26.725 -23.755 1.00 21.77 C ATOM 843 O ASN A 118 -2.552 -25.696 -23.100 1.00 21.73 O ATOM 844 CB ASN A 118 -0.390 -26.439 -24.646 1.00 19.90 C ATOM 845 CG ASN A 118 0.661 -26.875 -25.654 1.00 19.14 C ATOM 846 OD1 ASN A 118 0.863 -28.073 -25.878 1.00 18.90 O ATOM 847 ND2 ASN A 118 1.356 -25.906 -26.249 1.00 19.00 N ATOM 0 H ASN A 118 -2.128 -25.835 -26.364 1.00 22.02 H new ATOM 0 HA ASN A 118 -1.631 -28.065 -24.917 1.00 21.94 H new ATOM 0 HB2 ASN A 118 -0.491 -25.475 -24.687 1.00 19.90 H new ATOM 0 HB3 ASN A 118 -0.084 -26.655 -23.751 1.00 19.90 H new ATOM 0 HD21 ASN A 118 1.973 -26.104 -26.814 1.00 19.00 H new ATOM 0 HD22 ASN A 118 1.187 -25.082 -26.068 1.00 19.00 H new ATOM 848 N ASN A 119 -3.721 -27.569 -23.526 1.00 23.87 N ATOM 849 CA ASN A 119 -4.734 -27.314 -22.506 1.00 24.78 C ATOM 850 C ASN A 119 -5.065 -28.523 -21.647 1.00 24.14 C ATOM 851 O ASN A 119 -6.089 -28.540 -20.972 1.00 24.06 O ATOM 852 CB ASN A 119 -6.025 -26.838 -23.170 1.00 27.61 C ATOM 853 CG ASN A 119 -6.612 -27.877 -24.111 1.00 31.94 C ATOM 854 OD1 ASN A 119 -6.422 -29.083 -23.921 1.00 33.08 O ATOM 855 ND2 ASN A 119 -7.347 -27.416 -25.127 1.00 33.41 N ATOM 0 H ASN A 119 -3.832 -28.305 -23.956 1.00 23.87 H new ATOM 0 HA ASN A 119 -4.355 -26.638 -21.923 1.00 24.78 H new ATOM 0 HB2 ASN A 119 -6.677 -26.621 -22.485 1.00 27.61 H new ATOM 0 HB3 ASN A 119 -5.850 -26.021 -23.663 1.00 27.61 H new ATOM 0 HD21 ASN A 119 -7.709 -27.966 -25.680 1.00 33.41 H new ATOM 0 HD22 ASN A 119 -7.458 -26.569 -25.228 1.00 33.41 H new ATOM 856 N THR A 120 -4.221 -29.544 -21.655 1.00 24.76 N ATOM 857 CA THR A 120 -4.558 -30.706 -20.852 1.00 24.28 C ATOM 858 C THR A 120 -4.901 -30.344 -19.409 1.00 23.57 C ATOM 859 O THR A 120 -5.911 -30.800 -18.881 1.00 22.55 O ATOM 860 CB THR A 120 -3.439 -31.762 -20.863 1.00 23.41 C ATOM 861 OG1 THR A 120 -3.283 -32.262 -22.191 1.00 25.17 O ATOM 862 CG2 THR A 120 -3.802 -32.940 -19.960 1.00 22.07 C ATOM 0 H THR A 120 -3.483 -29.586 -22.095 1.00 24.76 H new ATOM 0 HA THR A 120 -5.349 -31.084 -21.267 1.00 24.28 H new ATOM 0 HB THR A 120 -2.622 -31.347 -20.546 1.00 23.41 H new ATOM 0 HG1 THR A 120 -2.840 -31.713 -22.647 1.00 25.17 H new ATOM 0 HG21 THR A 120 -3.087 -33.595 -19.979 1.00 22.07 H new ATOM 0 HG22 THR A 120 -3.927 -32.625 -19.051 1.00 22.07 H new ATOM 0 HG23 THR A 120 -4.623 -33.349 -20.276 1.00 22.07 H new ATOM 863 N HIS A 121 -4.085 -29.508 -18.778 1.00 22.90 N ATOM 864 CA HIS A 121 -4.343 -29.157 -17.391 1.00 22.57 C ATOM 865 C HIS A 121 -5.073 -27.845 -17.133 1.00 21.67 C ATOM 866 O HIS A 121 -5.023 -27.317 -16.020 1.00 20.50 O ATOM 867 CB HIS A 121 -3.025 -29.176 -16.617 1.00 21.60 C ATOM 868 CG HIS A 121 -2.378 -30.523 -16.586 1.00 22.86 C ATOM 869 ND1 HIS A 121 -3.039 -31.653 -16.148 1.00 22.90 N ATOM 870 CD2 HIS A 121 -1.141 -30.929 -16.963 1.00 23.37 C ATOM 871 CE1 HIS A 121 -2.235 -32.697 -16.259 1.00 24.43 C ATOM 872 NE2 HIS A 121 -1.077 -32.285 -16.750 1.00 23.63 N ATOM 0 H HIS A 121 -3.390 -29.140 -19.127 1.00 22.90 H new ATOM 0 HA HIS A 121 -4.966 -29.833 -17.081 1.00 22.57 H new ATOM 0 HB2 HIS A 121 -2.413 -28.539 -17.017 1.00 21.60 H new ATOM 0 HB3 HIS A 121 -3.187 -28.881 -15.707 1.00 21.60 H new ATOM 0 HD2 HIS A 121 -0.463 -30.391 -17.302 1.00 23.37 H new ATOM 0 HE1 HIS A 121 -2.447 -33.573 -16.031 1.00 24.43 H new ATOM 0 HE2 HIS A 121 -0.395 -32.785 -16.910 1.00 23.63 H new ATOM 873 N GLU A 122 -5.773 -27.327 -18.135 1.00 20.84 N ATOM 874 CA GLU A 122 -6.467 -26.058 -17.948 1.00 22.36 C ATOM 875 C GLU A 122 -7.533 -26.026 -16.846 1.00 23.49 C ATOM 876 O GLU A 122 -7.609 -25.052 -16.088 1.00 23.27 O ATOM 877 CB GLU A 122 -7.094 -25.588 -19.266 1.00 24.63 C ATOM 878 CG GLU A 122 -7.945 -24.329 -19.119 1.00 26.19 C ATOM 879 CD GLU A 122 -8.502 -23.847 -20.449 1.00 28.06 C ATOM 880 OE1 GLU A 122 -8.597 -24.678 -21.374 1.00 30.49 O ATOM 881 OE2 GLU A 122 -8.855 -22.652 -20.564 1.00 28.63 O ATOM 0 H GLU A 122 -5.859 -27.683 -18.913 1.00 20.84 H new ATOM 0 HA GLU A 122 -5.769 -25.455 -17.649 1.00 22.36 H new ATOM 0 HB2 GLU A 122 -6.388 -25.420 -19.910 1.00 24.63 H new ATOM 0 HB3 GLU A 122 -7.643 -26.301 -19.627 1.00 24.63 H new ATOM 0 HG2 GLU A 122 -8.678 -24.507 -18.510 1.00 26.19 H new ATOM 0 HG3 GLU A 122 -7.410 -23.625 -18.721 1.00 26.19 H new ATOM 882 N GLN A 123 -8.360 -27.065 -16.749 1.00 22.65 N ATOM 883 CA GLN A 123 -9.415 -27.055 -15.736 1.00 22.53 C ATOM 884 C GLN A 123 -8.838 -27.172 -14.343 1.00 20.35 C ATOM 885 O GLN A 123 -9.280 -26.484 -13.430 1.00 17.39 O ATOM 886 CB GLN A 123 -10.425 -28.177 -15.989 1.00 24.19 C ATOM 887 CG GLN A 123 -11.329 -27.864 -17.160 1.00 29.62 C ATOM 888 CD GLN A 123 -11.941 -26.473 -17.052 1.00 32.96 C ATOM 889 OE1 GLN A 123 -12.659 -26.169 -16.092 1.00 35.61 O ATOM 890 NE2 GLN A 123 -11.650 -25.615 -18.034 1.00 33.67 N ATOM 0 H GLN A 123 -8.331 -27.767 -17.245 1.00 22.65 H new ATOM 0 HA GLN A 123 -9.876 -26.204 -15.802 1.00 22.53 H new ATOM 0 HB2 GLN A 123 -9.952 -29.006 -16.158 1.00 24.19 H new ATOM 0 HB3 GLN A 123 -10.962 -28.314 -15.193 1.00 24.19 H new ATOM 0 HG2 GLN A 123 -10.823 -27.931 -17.985 1.00 29.62 H new ATOM 0 HG3 GLN A 123 -12.037 -28.525 -17.207 1.00 29.62 H new ATOM 0 HE21 GLN A 123 -11.147 -25.862 -18.686 1.00 33.67 H new ATOM 0 HE22 GLN A 123 -11.966 -24.815 -18.014 1.00 33.67 H new ATOM 891 N LEU A 124 -7.851 -28.051 -14.193 1.00 18.96 N ATOM 892 CA LEU A 124 -7.179 -28.235 -12.920 1.00 20.72 C ATOM 893 C LEU A 124 -6.647 -26.898 -12.407 1.00 20.02 C ATOM 894 O LEU A 124 -6.849 -26.555 -11.242 1.00 19.83 O ATOM 895 CB LEU A 124 -6.011 -29.222 -13.070 1.00 21.95 C ATOM 896 CG LEU A 124 -5.247 -29.468 -11.770 1.00 25.52 C ATOM 897 CD1 LEU A 124 -6.096 -30.369 -10.862 1.00 22.91 C ATOM 898 CD2 LEU A 124 -3.888 -30.119 -12.069 1.00 24.33 C ATOM 0 H LEU A 124 -7.556 -28.553 -14.826 1.00 18.96 H new ATOM 0 HA LEU A 124 -7.820 -28.592 -12.285 1.00 20.72 H new ATOM 0 HB2 LEU A 124 -6.352 -30.068 -13.401 1.00 21.95 H new ATOM 0 HB3 LEU A 124 -5.395 -28.884 -13.739 1.00 21.95 H new ATOM 0 HG LEU A 124 -5.080 -28.625 -11.320 1.00 25.52 H new ATOM 0 HD11 LEU A 124 -5.621 -30.533 -10.032 1.00 22.91 H new ATOM 0 HD12 LEU A 124 -6.940 -29.932 -10.670 1.00 22.91 H new ATOM 0 HD13 LEU A 124 -6.264 -31.213 -11.309 1.00 22.91 H new ATOM 0 HD21 LEU A 124 -3.412 -30.271 -11.238 1.00 24.33 H new ATOM 0 HD22 LEU A 124 -4.027 -30.966 -12.521 1.00 24.33 H new ATOM 0 HD23 LEU A 124 -3.366 -29.532 -12.638 1.00 24.33 H new ATOM 899 N LEU A 125 -5.962 -26.139 -13.264 1.00 20.67 N ATOM 900 CA LEU A 125 -5.418 -24.840 -12.847 1.00 21.60 C ATOM 901 C LEU A 125 -6.529 -23.819 -12.614 1.00 22.76 C ATOM 902 O LEU A 125 -6.409 -22.929 -11.765 1.00 21.82 O ATOM 903 CB LEU A 125 -4.437 -24.293 -13.895 1.00 23.12 C ATOM 904 CG LEU A 125 -3.258 -25.205 -14.252 1.00 24.12 C ATOM 905 CD1 LEU A 125 -2.196 -24.398 -14.974 1.00 26.66 C ATOM 906 CD2 LEU A 125 -2.678 -25.824 -13.022 1.00 23.86 C ATOM 0 H LEU A 125 -5.802 -26.352 -14.082 1.00 20.67 H new ATOM 0 HA LEU A 125 -4.946 -24.984 -12.012 1.00 21.60 H new ATOM 0 HB2 LEU A 125 -4.932 -24.102 -14.707 1.00 23.12 H new ATOM 0 HB3 LEU A 125 -4.084 -23.449 -13.572 1.00 23.12 H new ATOM 0 HG LEU A 125 -3.576 -25.916 -14.830 1.00 24.12 H new ATOM 0 HD11 LEU A 125 -1.449 -24.974 -15.200 1.00 26.66 H new ATOM 0 HD12 LEU A 125 -2.571 -24.022 -15.786 1.00 26.66 H new ATOM 0 HD13 LEU A 125 -1.887 -23.681 -14.398 1.00 26.66 H new ATOM 0 HD21 LEU A 125 -1.935 -26.397 -13.267 1.00 23.86 H new ATOM 0 HD22 LEU A 125 -2.365 -25.126 -12.425 1.00 23.86 H new ATOM 0 HD23 LEU A 125 -3.358 -26.351 -12.574 1.00 23.86 H new ATOM 907 N ARG A 126 -7.601 -23.956 -13.386 1.00 22.61 N ATOM 908 CA ARG A 126 -8.769 -23.081 -13.279 1.00 25.02 C ATOM 909 C ARG A 126 -9.331 -23.236 -11.855 1.00 23.67 C ATOM 910 O ARG A 126 -9.684 -22.258 -11.190 1.00 23.31 O ATOM 911 CB ARG A 126 -9.811 -23.533 -14.300 1.00 27.65 C ATOM 912 CG ARG A 126 -10.411 -22.450 -15.134 1.00 32.04 C ATOM 913 CD ARG A 126 -9.423 -21.871 -16.128 1.00 32.78 C ATOM 914 NE ARG A 126 -9.157 -20.471 -15.822 1.00 34.30 N ATOM 915 CZ ARG A 126 -8.934 -19.526 -16.730 1.00 34.85 C ATOM 916 NH1 ARG A 126 -8.943 -19.826 -18.018 1.00 33.02 N ATOM 917 NH2 ARG A 126 -8.706 -18.274 -16.342 1.00 35.00 N ATOM 0 H ARG A 126 -7.674 -24.562 -13.991 1.00 22.61 H new ATOM 0 HA ARG A 126 -8.537 -22.155 -13.450 1.00 25.02 H new ATOM 0 HB2 ARG A 126 -9.400 -24.184 -14.891 1.00 27.65 H new ATOM 0 HB3 ARG A 126 -10.525 -23.989 -13.828 1.00 27.65 H new ATOM 0 HG2 ARG A 126 -11.179 -22.801 -15.612 1.00 32.04 H new ATOM 0 HG3 ARG A 126 -10.736 -21.742 -14.556 1.00 32.04 H new ATOM 0 HD2 ARG A 126 -8.596 -22.377 -16.103 1.00 32.78 H new ATOM 0 HD3 ARG A 126 -9.776 -21.950 -17.028 1.00 32.78 H new ATOM 0 HE ARG A 126 -9.143 -20.239 -14.994 1.00 34.30 H new ATOM 0 HH11 ARG A 126 -9.093 -20.634 -18.270 1.00 33.02 H new ATOM 0 HH12 ARG A 126 -8.798 -19.213 -18.603 1.00 33.02 H new ATOM 0 HH21 ARG A 126 -8.703 -18.077 -15.505 1.00 35.00 H new ATOM 0 HH22 ARG A 126 -8.562 -17.662 -16.928 1.00 35.00 H new ATOM 918 N LYS A 127 -9.391 -24.477 -11.391 1.00 24.42 N ATOM 919 CA LYS A 127 -9.887 -24.785 -10.040 1.00 25.46 C ATOM 920 C LYS A 127 -8.985 -24.185 -8.956 1.00 23.17 C ATOM 921 O LYS A 127 -9.456 -23.522 -8.019 1.00 19.56 O ATOM 922 CB LYS A 127 -9.962 -26.307 -9.858 1.00 27.48 C ATOM 923 CG LYS A 127 -11.129 -26.971 -10.615 1.00 33.20 C ATOM 924 CD LYS A 127 -10.944 -28.483 -10.703 1.00 34.48 C ATOM 925 CE LYS A 127 -12.271 -29.200 -10.956 1.00 36.76 C ATOM 926 NZ LYS A 127 -13.078 -28.591 -12.037 1.00 37.20 N ATOM 0 H LYS A 127 -9.148 -25.167 -11.843 1.00 24.42 H new ATOM 0 HA LYS A 127 -10.769 -24.392 -9.947 1.00 25.46 H new ATOM 0 HB2 LYS A 127 -9.128 -26.701 -10.158 1.00 27.48 H new ATOM 0 HB3 LYS A 127 -10.046 -26.507 -8.913 1.00 27.48 H new ATOM 0 HG2 LYS A 127 -11.965 -26.771 -10.165 1.00 33.20 H new ATOM 0 HG3 LYS A 127 -11.192 -26.598 -11.508 1.00 33.20 H new ATOM 0 HD2 LYS A 127 -10.321 -28.692 -11.417 1.00 34.48 H new ATOM 0 HD3 LYS A 127 -10.551 -28.810 -9.879 1.00 34.48 H new ATOM 0 HE2 LYS A 127 -12.092 -30.127 -11.180 1.00 36.76 H new ATOM 0 HE3 LYS A 127 -12.790 -29.201 -10.137 1.00 36.76 H new ATOM 0 HZ1 LYS A 127 -13.743 -29.140 -12.256 1.00 37.20 H new ATOM 0 HZ2 LYS A 127 -13.414 -27.816 -11.756 1.00 37.20 H new ATOM 0 HZ3 LYS A 127 -12.563 -28.450 -12.749 1.00 37.20 H new ATOM 927 N ALA A 128 -7.682 -24.432 -9.080 1.00 21.22 N ATOM 928 CA ALA A 128 -6.726 -23.907 -8.110 1.00 20.95 C ATOM 929 C ALA A 128 -6.870 -22.393 -8.039 1.00 21.63 C ATOM 930 O ALA A 128 -6.843 -21.803 -6.962 1.00 21.92 O ATOM 931 CB ALA A 128 -5.291 -24.277 -8.520 1.00 18.65 C ATOM 0 H ALA A 128 -7.334 -24.898 -9.714 1.00 21.22 H new ATOM 0 HA ALA A 128 -6.907 -24.295 -7.239 1.00 20.95 H new ATOM 0 HB1 ALA A 128 -4.666 -23.923 -7.868 1.00 18.65 H new ATOM 0 HB2 ALA A 128 -5.204 -25.242 -8.559 1.00 18.65 H new ATOM 0 HB3 ALA A 128 -5.096 -23.900 -9.392 1.00 18.65 H new ATOM 932 N GLU A 129 -7.008 -21.761 -9.200 1.00 22.77 N ATOM 933 CA GLU A 129 -7.135 -20.308 -9.262 1.00 24.48 C ATOM 934 C GLU A 129 -8.399 -19.761 -8.591 1.00 23.42 C ATOM 935 O GLU A 129 -8.371 -18.696 -7.974 1.00 24.36 O ATOM 936 CB GLU A 129 -7.120 -19.850 -10.720 1.00 25.83 C ATOM 937 CG GLU A 129 -7.244 -18.357 -10.897 1.00 26.61 C ATOM 938 CD GLU A 129 -7.335 -17.969 -12.366 1.00 29.08 C ATOM 939 OE1 GLU A 129 -6.530 -17.131 -12.810 1.00 29.20 O ATOM 940 OE2 GLU A 129 -8.207 -18.513 -13.072 1.00 31.10 O ATOM 0 H GLU A 129 -7.031 -22.155 -9.964 1.00 22.77 H new ATOM 0 HA GLU A 129 -6.377 -19.956 -8.769 1.00 24.48 H new ATOM 0 HB2 GLU A 129 -6.295 -20.148 -11.134 1.00 25.83 H new ATOM 0 HB3 GLU A 129 -7.847 -20.284 -11.193 1.00 25.83 H new ATOM 0 HG2 GLU A 129 -8.032 -18.040 -10.429 1.00 26.61 H new ATOM 0 HG3 GLU A 129 -6.479 -17.918 -10.493 1.00 26.61 H new ATOM 941 N ALA A 130 -9.508 -20.469 -8.739 1.00 24.00 N ATOM 942 CA ALA A 130 -10.768 -20.026 -8.140 1.00 25.78 C ATOM 943 C ALA A 130 -10.600 -20.053 -6.619 1.00 25.67 C ATOM 944 O ALA A 130 -11.026 -19.138 -5.908 1.00 24.77 O ATOM 945 CB ALA A 130 -11.904 -20.961 -8.559 1.00 24.54 C ATOM 0 H ALA A 130 -9.558 -21.206 -9.179 1.00 24.00 H new ATOM 0 HA ALA A 130 -10.987 -19.130 -8.439 1.00 25.78 H new ATOM 0 HB1 ALA A 130 -12.735 -20.661 -8.158 1.00 24.54 H new ATOM 0 HB2 ALA A 130 -11.990 -20.953 -9.525 1.00 24.54 H new ATOM 0 HB3 ALA A 130 -11.708 -21.863 -8.260 1.00 24.54 H new ATOM 946 N GLN A 131 -9.947 -21.107 -6.140 1.00 25.70 N ATOM 947 CA GLN A 131 -9.728 -21.283 -4.717 1.00 26.18 C ATOM 948 C GLN A 131 -8.864 -20.158 -4.149 1.00 25.21 C ATOM 949 O GLN A 131 -9.187 -19.605 -3.107 1.00 22.34 O ATOM 950 CB GLN A 131 -9.109 -22.667 -4.456 1.00 26.33 C ATOM 951 CG GLN A 131 -9.086 -23.084 -2.995 1.00 29.79 C ATOM 952 CD GLN A 131 -10.459 -23.061 -2.357 1.00 32.14 C ATOM 953 OE1 GLN A 131 -11.406 -23.671 -2.864 1.00 34.01 O ATOM 954 NE2 GLN A 131 -10.578 -22.357 -1.232 1.00 32.87 N ATOM 0 H GLN A 131 -9.622 -21.734 -6.630 1.00 25.70 H new ATOM 0 HA GLN A 131 -10.581 -21.239 -4.258 1.00 26.18 H new ATOM 0 HB2 GLN A 131 -9.604 -23.330 -4.962 1.00 26.33 H new ATOM 0 HB3 GLN A 131 -8.200 -22.671 -4.796 1.00 26.33 H new ATOM 0 HG2 GLN A 131 -8.716 -23.978 -2.924 1.00 29.79 H new ATOM 0 HG3 GLN A 131 -8.495 -22.492 -2.503 1.00 29.79 H new ATOM 0 HE21 GLN A 131 -9.896 -21.945 -0.908 1.00 32.87 H new ATOM 0 HE22 GLN A 131 -11.337 -22.315 -0.829 1.00 32.87 H new ATOM 955 N ALA A 132 -7.778 -19.801 -4.837 1.00 25.87 N ATOM 956 CA ALA A 132 -6.909 -18.716 -4.367 1.00 23.91 C ATOM 957 C ALA A 132 -7.664 -17.383 -4.338 1.00 25.35 C ATOM 958 O ALA A 132 -7.476 -16.558 -3.444 1.00 22.98 O ATOM 959 CB ALA A 132 -5.686 -18.585 -5.279 1.00 24.79 C ATOM 0 H ALA A 132 -7.527 -20.170 -5.572 1.00 25.87 H new ATOM 0 HA ALA A 132 -6.622 -18.933 -3.466 1.00 23.91 H new ATOM 0 HB1 ALA A 132 -5.119 -17.866 -4.959 1.00 24.79 H new ATOM 0 HB2 ALA A 132 -5.187 -19.417 -5.273 1.00 24.79 H new ATOM 0 HB3 ALA A 132 -5.976 -18.390 -6.184 1.00 24.79 H new ATOM 960 N LYS A 133 -8.513 -17.179 -5.340 1.00 26.11 N ATOM 961 CA LYS A 133 -9.286 -15.954 -5.468 1.00 27.28 C ATOM 962 C LYS A 133 -10.242 -15.883 -4.274 1.00 27.25 C ATOM 963 O LYS A 133 -10.290 -14.884 -3.559 1.00 28.06 O ATOM 964 CB LYS A 133 -10.046 -15.997 -6.794 1.00 29.46 C ATOM 965 CG LYS A 133 -10.620 -14.690 -7.288 1.00 32.07 C ATOM 966 CD LYS A 133 -11.388 -14.932 -8.596 1.00 32.03 C ATOM 967 CE LYS A 133 -10.466 -15.475 -9.684 1.00 33.91 C ATOM 968 NZ LYS A 133 -11.063 -16.627 -10.447 1.00 35.99 N ATOM 0 H LYS A 133 -8.656 -17.751 -5.966 1.00 26.11 H new ATOM 0 HA LYS A 133 -8.721 -15.165 -5.469 1.00 27.28 H new ATOM 0 HB2 LYS A 133 -9.448 -16.342 -7.475 1.00 29.46 H new ATOM 0 HB3 LYS A 133 -10.773 -16.633 -6.706 1.00 29.46 H new ATOM 0 HG2 LYS A 133 -11.212 -14.312 -6.619 1.00 32.07 H new ATOM 0 HG3 LYS A 133 -9.908 -14.047 -7.433 1.00 32.07 H new ATOM 0 HD2 LYS A 133 -12.111 -15.559 -8.438 1.00 32.03 H new ATOM 0 HD3 LYS A 133 -11.792 -14.102 -8.895 1.00 32.03 H new ATOM 0 HE2 LYS A 133 -10.251 -14.761 -10.304 1.00 33.91 H new ATOM 0 HE3 LYS A 133 -9.632 -15.760 -9.280 1.00 33.91 H new ATOM 0 HZ1 LYS A 133 -10.669 -17.385 -10.197 1.00 35.99 H new ATOM 0 HZ2 LYS A 133 -11.935 -16.676 -10.276 1.00 35.99 H new ATOM 0 HZ3 LYS A 133 -10.938 -16.502 -11.319 1.00 35.99 H new ATOM 969 N LYS A 134 -10.979 -16.964 -4.058 1.00 26.75 N ATOM 970 CA LYS A 134 -11.907 -17.058 -2.936 1.00 28.01 C ATOM 971 C LYS A 134 -11.170 -16.774 -1.629 1.00 26.65 C ATOM 972 O LYS A 134 -11.716 -16.153 -0.729 1.00 27.56 O ATOM 973 CB LYS A 134 -12.517 -18.458 -2.894 1.00 29.76 C ATOM 974 CG LYS A 134 -13.459 -18.704 -1.749 1.00 31.88 C ATOM 975 CD LYS A 134 -13.947 -20.132 -1.797 1.00 36.56 C ATOM 976 CE LYS A 134 -15.236 -20.308 -0.998 1.00 39.33 C ATOM 977 NZ LYS A 134 -15.750 -21.708 -1.131 1.00 41.29 N ATOM 0 H LYS A 134 -10.957 -17.664 -4.556 1.00 26.75 H new ATOM 0 HA LYS A 134 -12.614 -16.403 -3.048 1.00 28.01 H new ATOM 0 HB2 LYS A 134 -12.991 -18.615 -3.725 1.00 29.76 H new ATOM 0 HB3 LYS A 134 -11.799 -19.108 -2.850 1.00 29.76 H new ATOM 0 HG2 LYS A 134 -13.010 -18.533 -0.906 1.00 31.88 H new ATOM 0 HG3 LYS A 134 -14.211 -18.093 -1.799 1.00 31.88 H new ATOM 0 HD2 LYS A 134 -14.098 -20.393 -2.719 1.00 36.56 H new ATOM 0 HD3 LYS A 134 -13.262 -20.721 -1.444 1.00 36.56 H new ATOM 0 HE2 LYS A 134 -15.074 -20.105 -0.063 1.00 39.33 H new ATOM 0 HE3 LYS A 134 -15.906 -19.681 -1.312 1.00 39.33 H new ATOM 0 HZ1 LYS A 134 -16.500 -21.795 -0.661 1.00 41.29 H new ATOM 0 HZ2 LYS A 134 -15.915 -21.884 -1.988 1.00 41.29 H new ATOM 0 HZ3 LYS A 134 -15.140 -22.279 -0.824 1.00 41.29 H new ATOM 978 N GLU A 135 -9.926 -17.231 -1.527 1.00 25.45 N ATOM 979 CA GLU A 135 -9.129 -16.992 -0.323 1.00 25.11 C ATOM 980 C GLU A 135 -8.448 -15.618 -0.336 1.00 24.53 C ATOM 981 O GLU A 135 -7.740 -15.262 0.613 1.00 21.33 O ATOM 982 CB GLU A 135 -8.059 -18.084 -0.163 1.00 24.50 C ATOM 983 CG GLU A 135 -8.618 -19.470 0.150 1.00 22.71 C ATOM 984 CD GLU A 135 -7.531 -20.526 0.172 1.00 22.56 C ATOM 985 OE1 GLU A 135 -6.335 -20.164 0.119 1.00 24.27 O ATOM 986 OE2 GLU A 135 -7.862 -21.716 0.251 1.00 21.15 O ATOM 0 H GLU A 135 -9.524 -17.680 -2.140 1.00 25.45 H new ATOM 0 HA GLU A 135 -9.744 -17.015 0.427 1.00 25.11 H new ATOM 0 HB2 GLU A 135 -7.538 -18.134 -0.980 1.00 24.50 H new ATOM 0 HB3 GLU A 135 -7.450 -17.824 0.546 1.00 24.50 H new ATOM 0 HG2 GLU A 135 -9.067 -19.451 1.010 1.00 22.71 H new ATOM 0 HG3 GLU A 135 -9.285 -19.707 -0.513 1.00 22.71 H new ATOM 987 N LYS A 136 -8.665 -14.845 -1.401 1.00 24.75 N ATOM 988 CA LYS A 136 -8.058 -13.515 -1.513 1.00 26.54 C ATOM 989 C LYS A 136 -6.569 -13.591 -1.230 1.00 27.45 C ATOM 990 O LYS A 136 -5.999 -12.713 -0.575 1.00 27.33 O ATOM 991 CB LYS A 136 -8.692 -12.534 -0.517 1.00 29.63 C ATOM 992 CG LYS A 136 -10.078 -12.071 -0.895 1.00 33.94 C ATOM 993 CD LYS A 136 -10.562 -10.944 0.016 1.00 37.79 C ATOM 994 CE LYS A 136 -11.806 -10.255 -0.564 1.00 40.14 C ATOM 995 NZ LYS A 136 -11.511 -9.490 -1.826 1.00 41.46 N ATOM 0 H LYS A 136 -9.159 -15.070 -2.068 1.00 24.75 H new ATOM 0 HA LYS A 136 -8.211 -13.199 -2.417 1.00 26.54 H new ATOM 0 HB2 LYS A 136 -8.730 -12.956 0.356 1.00 29.63 H new ATOM 0 HB3 LYS A 136 -8.116 -11.758 -0.432 1.00 29.63 H new ATOM 0 HG2 LYS A 136 -10.078 -11.766 -1.816 1.00 33.94 H new ATOM 0 HG3 LYS A 136 -10.695 -12.818 -0.843 1.00 33.94 H new ATOM 0 HD2 LYS A 136 -10.767 -11.301 0.895 1.00 37.79 H new ATOM 0 HD3 LYS A 136 -9.853 -10.292 0.133 1.00 37.79 H new ATOM 0 HE2 LYS A 136 -12.485 -10.923 -0.746 1.00 40.14 H new ATOM 0 HE3 LYS A 136 -12.174 -9.649 0.098 1.00 40.14 H new ATOM 0 HZ1 LYS A 136 -12.194 -8.950 -2.013 1.00 41.46 H new ATOM 0 HZ2 LYS A 136 -10.773 -9.006 -1.714 1.00 41.46 H new ATOM 0 HZ3 LYS A 136 -11.392 -10.061 -2.498 1.00 41.46 H new ATOM 996 N LEU A 137 -5.944 -14.644 -1.736 1.00 27.79 N ATOM 997 CA LEU A 137 -4.523 -14.878 -1.529 1.00 27.49 C ATOM 998 C LEU A 137 -3.648 -14.047 -2.454 1.00 27.14 C ATOM 999 O LEU A 137 -3.865 -14.024 -3.664 1.00 25.99 O ATOM 1000 CB LEU A 137 -4.212 -16.365 -1.758 1.00 27.94 C ATOM 1001 CG LEU A 137 -3.497 -17.171 -0.676 1.00 29.95 C ATOM 1002 CD1 LEU A 137 -3.171 -18.549 -1.241 1.00 26.50 C ATOM 1003 CD2 LEU A 137 -2.232 -16.467 -0.223 1.00 28.69 C ATOM 0 H LEU A 137 -6.333 -15.246 -2.211 1.00 27.79 H new ATOM 0 HA LEU A 137 -4.322 -14.614 -0.618 1.00 27.49 H new ATOM 0 HB2 LEU A 137 -5.054 -16.811 -1.941 1.00 27.94 H new ATOM 0 HB3 LEU A 137 -3.677 -16.427 -2.565 1.00 27.94 H new ATOM 0 HG LEU A 137 -4.073 -17.259 0.100 1.00 29.95 H new ATOM 0 HD11 LEU A 137 -2.715 -19.076 -0.566 1.00 26.50 H new ATOM 0 HD12 LEU A 137 -3.992 -18.996 -1.500 1.00 26.50 H new ATOM 0 HD13 LEU A 137 -2.597 -18.453 -2.017 1.00 26.50 H new ATOM 0 HD21 LEU A 137 -1.795 -16.996 0.463 1.00 28.69 H new ATOM 0 HD22 LEU A 137 -1.633 -16.360 -0.978 1.00 28.69 H new ATOM 0 HD23 LEU A 137 -2.458 -15.595 0.136 1.00 28.69 H new ATOM 1004 N ASN A 138 -2.644 -13.398 -1.868 1.00 28.20 N ATOM 1005 CA ASN A 138 -1.676 -12.562 -2.586 1.00 28.77 C ATOM 1006 C ASN A 138 -2.206 -11.706 -3.727 1.00 30.71 C ATOM 1007 O ASN A 138 -2.849 -10.692 -3.503 1.00 32.62 O ATOM 1008 CB ASN A 138 -0.529 -13.431 -3.102 1.00 26.21 C ATOM 1009 CG ASN A 138 0.201 -14.128 -1.982 1.00 25.23 C ATOM 1010 OD1 ASN A 138 0.676 -13.483 -1.057 1.00 23.67 O ATOM 1011 ND2 ASN A 138 0.285 -15.446 -2.050 1.00 23.13 N ATOM 0 H ASN A 138 -2.501 -13.431 -1.021 1.00 28.20 H new ATOM 0 HA ASN A 138 -1.388 -11.919 -1.919 1.00 28.77 H new ATOM 0 HB2 ASN A 138 -0.878 -14.092 -3.720 1.00 26.21 H new ATOM 0 HB3 ASN A 138 0.095 -12.879 -3.599 1.00 26.21 H new ATOM 0 HD21 ASN A 138 0.686 -15.884 -1.428 1.00 23.13 H new ATOM 0 HD22 ASN A 138 -0.061 -15.865 -2.716 1.00 23.13 H new ATOM 1012 N ILE A 139 -1.924 -12.105 -4.960 1.00 32.60 N ATOM 1013 CA ILE A 139 -2.371 -11.330 -6.106 1.00 34.09 C ATOM 1014 C ILE A 139 -3.848 -11.000 -6.005 1.00 35.77 C ATOM 1015 O ILE A 139 -4.292 -9.964 -6.501 1.00 36.42 O ATOM 1016 CB ILE A 139 -2.129 -12.091 -7.419 1.00 35.14 C ATOM 1017 CG1 ILE A 139 -0.630 -12.162 -7.706 1.00 35.14 C ATOM 1018 CG2 ILE A 139 -2.872 -11.427 -8.552 1.00 33.78 C ATOM 1019 CD1 ILE A 139 -0.305 -12.885 -9.004 1.00 39.85 C ATOM 0 H ILE A 139 -1.479 -12.815 -5.153 1.00 32.60 H new ATOM 0 HA ILE A 139 -1.855 -10.508 -6.106 1.00 34.09 H new ATOM 0 HB ILE A 139 -2.466 -12.996 -7.333 1.00 35.14 H new ATOM 0 HG12 ILE A 139 -0.271 -11.262 -7.745 1.00 35.14 H new ATOM 0 HG13 ILE A 139 -0.186 -12.613 -6.971 1.00 35.14 H new ATOM 0 HG21 ILE A 139 -2.712 -11.916 -9.375 1.00 33.78 H new ATOM 0 HG22 ILE A 139 -3.822 -11.424 -8.358 1.00 33.78 H new ATOM 0 HG23 ILE A 139 -2.560 -10.514 -8.653 1.00 33.78 H new ATOM 0 HD11 ILE A 139 0.656 -12.900 -9.134 1.00 39.85 H new ATOM 0 HD12 ILE A 139 -0.639 -13.795 -8.960 1.00 39.85 H new ATOM 0 HD13 ILE A 139 -0.724 -12.422 -9.746 1.00 39.85 H new ATOM 1020 N TRP A 140 -4.609 -11.877 -5.355 1.00 36.15 N ATOM 1021 CA TRP A 140 -6.041 -11.665 -5.225 1.00 37.80 C ATOM 1022 C TRP A 140 -6.402 -10.865 -3.987 1.00 39.53 C ATOM 1023 O TRP A 140 -7.571 -10.756 -3.642 1.00 40.55 O ATOM 1024 CB TRP A 140 -6.772 -13.003 -5.219 1.00 38.29 C ATOM 1025 CG TRP A 140 -6.536 -13.806 -6.460 1.00 39.06 C ATOM 1026 CD1 TRP A 140 -5.891 -15.008 -6.549 1.00 39.71 C ATOM 1027 CD2 TRP A 140 -6.981 -13.491 -7.785 1.00 39.58 C ATOM 1028 NE1 TRP A 140 -5.914 -15.465 -7.844 1.00 39.55 N ATOM 1029 CE2 TRP A 140 -6.577 -14.553 -8.624 1.00 39.89 C ATOM 1030 CE3 TRP A 140 -7.683 -12.413 -8.346 1.00 39.51 C ATOM 1031 CZ2 TRP A 140 -6.854 -14.573 -9.995 1.00 40.24 C ATOM 1032 CZ3 TRP A 140 -7.961 -12.431 -9.706 1.00 40.20 C ATOM 1033 CH2 TRP A 140 -7.547 -13.507 -10.517 1.00 42.37 C ATOM 0 H TRP A 140 -4.315 -12.596 -4.985 1.00 36.15 H new ATOM 0 HA TRP A 140 -6.323 -11.143 -5.993 1.00 37.80 H new ATOM 0 HB2 TRP A 140 -6.487 -13.518 -4.448 1.00 38.29 H new ATOM 0 HB3 TRP A 140 -7.724 -12.845 -5.118 1.00 38.29 H new ATOM 0 HD1 TRP A 140 -5.494 -15.452 -5.835 1.00 39.71 H new ATOM 0 HE1 TRP A 140 -5.569 -16.203 -8.120 1.00 39.55 H new ATOM 0 HE3 TRP A 140 -7.957 -11.699 -7.816 1.00 39.51 H new ATOM 0 HZ2 TRP A 140 -6.580 -15.281 -10.533 1.00 40.24 H new ATOM 0 HZ3 TRP A 140 -8.427 -11.723 -10.088 1.00 40.20 H new ATOM 0 HH2 TRP A 140 -7.747 -13.495 -11.425 1.00 42.37 H new ATOM 1034 N SER A 141 -5.388 -10.308 -3.327 1.00 42.22 N ATOM 1035 CA SER A 141 -5.582 -9.478 -2.144 1.00 44.05 C ATOM 1036 C SER A 141 -6.233 -8.172 -2.582 1.00 45.55 C ATOM 1037 O SER A 141 -5.564 -7.127 -2.450 1.00 46.47 O ATOM 1038 CB SER A 141 -4.243 -9.148 -1.484 1.00 44.25 C ATOM 1039 OG SER A 141 -3.580 -10.304 -1.023 1.00 47.72 O ATOM 0 H SER A 141 -4.564 -10.403 -3.556 1.00 42.22 H new ATOM 0 HA SER A 141 -6.136 -9.958 -1.509 1.00 44.05 H new ATOM 0 HB2 SER A 141 -3.676 -8.683 -2.119 1.00 44.25 H new ATOM 0 HB3 SER A 141 -4.391 -8.543 -0.740 1.00 44.25 H new ATOM 0 HG SER A 141 -3.276 -10.733 -1.678 1.00 47.72 H new TER 1040 SER A 141 HETATM 1041 P PO4 A 251 5.405 -14.673 -22.196 0.50 34.45 P HETATM 1042 O1 PO4 A 251 5.393 -14.185 -23.596 0.50 33.22 O HETATM 1043 O2 PO4 A 251 6.133 -15.962 -22.124 0.50 33.86 O HETATM 1044 O3 PO4 A 251 6.085 -13.678 -21.326 0.50 32.21 O HETATM 1045 O4 PO4 A 251 4.004 -14.867 -21.735 0.50 33.96 O HETATM 1046 O HOH A 252 8.888 -34.410 -10.173 1.00 13.99 O HETATM 1047 O HOH A 253 16.161 -33.178 -11.249 1.00 18.94 O HETATM 1048 O HOH A 254 12.429 -20.183 -11.630 1.00 17.97 O HETATM 1049 O HOH A 255 6.599 -35.044 -21.897 1.00 23.60 O HETATM 1050 O HOH A 256 -11.844 -24.470 -7.216 1.00 17.22 O HETATM 1051 O HOH A 257 3.813 -28.817 -24.870 1.00 15.84 O HETATM 1052 O HOH A 258 -1.638 -23.259 -23.533 1.00 19.34 O HETATM 1053 O HOH A 259 19.679 -34.420 -19.015 1.00 29.07 O HETATM 1054 O HOH A 260 17.195 -30.980 -10.367 1.00 19.25 O HETATM 1055 O HOH A 261 -7.405 -26.272 -1.718 1.00 40.21 O HETATM 1056 O HOH A 262 16.130 -29.434 -7.992 1.00 23.81 O HETATM 1057 O HOH A 263 -8.457 -29.133 -18.774 1.00 27.77 O HETATM 1058 O HOH A 264 -2.511 -12.576 0.691 1.00 23.70 O HETATM 1059 O HOH A 265 8.637 -13.710 -11.208 1.00 29.03 O HETATM 1060 O HOH A 266 1.696 -17.156 0.309 1.00 19.25 O HETATM 1061 O HOH A 267 5.299 -17.996 -29.044 1.00 39.62 O HETATM 1062 O HOH A 268 10.806 -36.671 -5.275 1.00 34.52 O HETATM 1063 O HOH A 269 4.751 -22.193 -30.834 1.00 29.11 O HETATM 1064 O HOH A 270 -6.247 -27.592 -8.778 1.00 24.22 O HETATM 1065 O HOH A 271 -13.941 -14.927 -0.114 1.00 32.25 O HETATM 1066 O HOH A 272 15.714 -22.892 -24.961 1.00 27.57 O HETATM 1067 O HOH A 273 -0.707 -33.954 -13.176 1.00 35.48 O HETATM 1068 O HOH A 274 -8.063 -19.953 -23.507 1.00 24.54 O HETATM 1069 O HOH A 275 7.524 -30.039 -4.549 1.00 26.29 O HETATM 1070 O HOH A 276 3.035 -21.206 -33.573 1.00 26.38 O HETATM 1071 O HOH A 277 18.334 -34.580 -16.203 1.00 31.93 O HETATM 1072 O HOH A 278 -4.252 -17.609 -8.806 1.00 17.92 O HETATM 1073 O HOH A 279 12.506 -18.129 -9.889 1.00 25.76 O HETATM 1074 O HOH A 280 -5.196 -23.657 -28.657 1.00 25.23 O HETATM 1075 O HOH A 281 -7.267 -30.379 -16.076 1.00 28.39 O HETATM 1076 O HOH A 282 9.806 -28.941 -3.927 1.00 22.55 O HETATM 1077 O HOH A 283 -10.418 -15.466 -12.978 1.00 33.04 O HETATM 1078 O HOH A 284 -4.197 -31.147 -7.565 1.00 30.50 O HETATM 1079 O HOH A 285 8.364 -22.724 -2.531 1.00 31.71 O HETATM 1080 O HOH A 286 3.770 -14.552 -17.336 1.00 28.61 O HETATM 1081 O HOH A 287 18.320 -33.417 -7.605 1.00 20.44 O HETATM 1082 O HOH A 288 -10.582 -20.009 -12.276 1.00 26.50 O HETATM 1083 O HOH A 289 4.174 -35.743 -22.653 1.00 30.05 O HETATM 1084 O HOH A 290 0.329 -30.752 -8.391 1.00 36.64 O HETATM 1085 O HOH A 291 -0.544 -21.131 -21.861 1.00 22.59 O HETATM 1086 O HOH A 292 7.654 -16.342 -2.454 1.00 22.77 O HETATM 1087 O HOH A 293 -0.222 -35.713 -16.781 1.00 33.36 O HETATM 1088 O HOH A 294 15.262 -19.582 -25.392 1.00 32.18 O HETATM 1089 O HOH A 295 2.155 -37.754 -16.683 1.00 25.96 O HETATM 1090 O HOH A 296 10.526 -39.052 -14.670 1.00 38.82 O HETATM 1091 O HOH A 297 -6.391 -11.126 1.674 1.00 28.38 O HETATM 1092 O HOH A 298 -5.740 -32.291 -15.636 1.00 40.71 O HETATM 1093 O HOH A 299 15.891 -35.781 -20.230 1.00 27.10 O HETATM 1094 O HOH A 300 -0.094 -12.357 -13.421 1.00 29.95 O HETATM 1095 O HOH A 301 -7.451 -19.952 -20.205 1.00 39.68 O HETATM 1096 O HOH A 302 10.906 -18.070 -33.814 1.00 31.64 O HETATM 1097 O HOH A 303 -12.742 -22.258 0.071 1.00 42.43 O HETATM 1098 O HOH A 304 7.184 -39.919 -12.865 1.00 27.94 O HETATM 1099 O HOH A 305 13.105 -12.862 -10.581 1.00 45.07 O HETATM 1100 O HOH A 306 21.543 -35.580 -17.288 1.00 41.89 O HETATM 1101 O HOH A 307 -14.139 -24.123 -8.684 1.00 38.41 O HETATM 1102 O HOH A 308 -6.871 -15.657 -15.339 1.00 33.25 O HETATM 1103 O HOH A 309 1.025 -8.077 -10.030 1.00 37.25 O HETATM 1104 O HOH A 310 18.755 -21.640 -9.486 1.00 45.11 O HETATM 1105 O HOH A 311 0.066 -13.742 1.363 1.00 35.58 O HETATM 1106 O HOH A 312 5.630 -37.438 -10.856 1.00 34.19 O HETATM 1107 O HOH A 313 5.449 -7.670 -4.342 1.00 41.25 O HETATM 1108 O HOH A 314 9.278 -11.984 -2.312 1.00 34.39 O HETATM 1109 O HOH A 315 13.423 -18.777 -2.895 1.00 35.01 O HETATM 1110 O HOH A 316 -1.076 -26.604 -5.825 1.00 32.46 O HETATM 1111 O HOH A 317 7.805 -15.128 -20.194 1.00 38.24 O HETATM 1112 O HOH A 318 9.084 -35.352 -25.461 1.00 44.79 O HETATM 1113 O HOH A 319 0.968 -28.307 -7.264 1.00 47.83 O HETATM 1114 O HOH A 320 -2.248 -18.093 -26.662 1.00 52.76 O CONECT 1041 1042 1043 1044 1045 CONECT 1042 1041 CONECT 1043 1041 CONECT 1044 1041 CONECT 1045 1041 END