USER MOD reduce.3.24.130724 H: found=0, std=0, add=1425, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 15-JUN-15 5C20 TITLE CRYSTAL STRUCTURE OF EV71 3C PROTEINASE IN COMPLEX WITH COMPOUND 2 COMPND MOL_ID: 1; COMPND 2 MOLECULE: 3C PROTEINASE; COMPND 3 CHAIN: A; COMPND 4 EC: 3.4.22.28; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROVIRUS A71; SOURCE 3 ORGANISM_TAXID: 39054; SOURCE 4 STRAIN: E2004104-TW-CDC; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28A KEYWDS HYDROLASE, CYSTEINE PROTEINASE, INHIBITOR, HYDROLASE-HYDROLASE KEYWDS 2 INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR L.ZHANG,G.HUANG,Q.CAI,C.ZHAO,H.REN,P.LI,N.LI,S.CHEN,J.LI,T.LIN REVDAT 1 01-JUN-16 5C20 0 JRNL AUTH L.ZHANG,G.HUANG,Q.CAI,C.ZHAO,L.TANG,H.REN,P.LI,N.LI,J.HUANG, JRNL AUTH 2 X.CHEN,Y.GUAN,H.YOU,S.CHEN,J.LI,T.LIN JRNL TITL OPTIMIZE THE INTERACTIONS AT S4 WITH EFFICIENT INHIBITORS JRNL TITL 2 TARGETING 3C PROTEINASE FROM ENTEROVIRUS 71 JRNL REF J.MOL.RECOGNIT. 2016 JRNL REFN ISSN 0952-3499 JRNL PMID 27185390 JRNL DOI 10.1002/JMR.2551 REMARK 2 REMARK 2 RESOLUTION. 2.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.7.0029 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.75 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.29 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 92.0 REMARK 3 NUMBER OF REFLECTIONS : 3934 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.215 REMARK 3 R VALUE (WORKING SET) : 0.211 REMARK 3 FREE R VALUE : 0.282 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.600 REMARK 3 FREE R VALUE TEST SET COUNT : 182 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.75 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.82 REMARK 3 REFLECTION IN BIN (WORKING SET) : 282 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.10 REMARK 3 BIN R VALUE (WORKING SET) : 0.3190 REMARK 3 BIN FREE R VALUE SET COUNT : 14 REMARK 3 BIN FREE R VALUE : 0.3230 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1401 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 29 REMARK 3 SOLVENT ATOMS : 13 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 35.16 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.33000 REMARK 3 B22 (A**2) : -0.40000 REMARK 3 B33 (A**2) : 0.08000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): 0.503 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.380 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 19.541 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.926 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.852 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1459 ; 0.011 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 1425 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1975 ; 1.487 ; 1.979 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3269 ; 0.904 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 180 ; 6.066 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 62 ;38.274 ;23.710 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 247 ;22.881 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 10 ;21.937 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 228 ; 0.085 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1638 ; 0.005 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): 338 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 4 REMARK 4 5C20 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-JUN-15. REMARK 100 THE DEPOSITION ID IS D_1000210896. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-NOV-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 HF REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : AUTOMAR REMARK 200 DATA SCALING SOFTWARE : AUTOMAR REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 3961 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.750 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 (%) : 92.3 REMARK 200 DATA REDUNDANCY : 3.480 REMARK 200 R MERGE (I) : 0.13250 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 4.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.75 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.85 REMARK 200 COMPLETENESS FOR SHELL (%) : 96.2 REMARK 200 DATA REDUNDANCY IN SHELL : 3.45 REMARK 200 R MERGE FOR SHELL (I) : 0.39770 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 4GHQ REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 32.51 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.82 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 100MM TRIS, 25% PEG4000, 0.8M LITHIUM REMARK 280 CHLORIDE, PH 8.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 289K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 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 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 37.66700 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 37.66700 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 32.05950 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 32.28200 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 32.05950 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 32.28200 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 37.66700 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 32.05950 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 32.28200 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 37.66700 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 32.05950 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 32.28200 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 313 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 SER A 181 REMARK 465 GLU A 182 REMARK 465 GLN A 183 REMARK 465 LEU A 184 REMARK 465 GLU A 185 REMARK 465 HIS A 186 REMARK 465 HIS A 187 REMARK 465 HIS A 188 REMARK 465 HIS A 189 REMARK 465 HIS A 190 REMARK 465 HIS A 191 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OD1 ASP A 32 NZ LYS A 82 1.53 REMARK 500 OD1 ASP A 85 OG1 THR A 87 2.03 REMARK 500 O THR A 142 N33 GHZ A 201 2.13 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 32 -125.85 56.53 REMARK 500 GLU A 50 -66.94 71.56 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 GHZ A 201 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4GHQ RELATED DB: PDB REMARK 900 RELATED ID: 4GHT RELATED DB: PDB REMARK 900 RELATED ID: 5C1U RELATED DB: PDB REMARK 900 RELATED ID: 5C1X RELATED DB: PDB REMARK 900 RELATED ID: 5C1Y RELATED DB: PDB DBREF 5C20 A 1 183 UNP A9XG43 A9XG43_9ENTO 1549 1731 SEQADV 5C20 MET A 0 UNP A9XG43 EXPRESSION TAG SEQADV 5C20 LEU A 184 UNP A9XG43 EXPRESSION TAG SEQADV 5C20 GLU A 185 UNP A9XG43 EXPRESSION TAG SEQADV 5C20 HIS A 186 UNP A9XG43 EXPRESSION TAG SEQADV 5C20 HIS A 187 UNP A9XG43 EXPRESSION TAG SEQADV 5C20 HIS A 188 UNP A9XG43 EXPRESSION TAG SEQADV 5C20 HIS A 189 UNP A9XG43 EXPRESSION TAG SEQADV 5C20 HIS A 190 UNP A9XG43 EXPRESSION TAG SEQADV 5C20 HIS A 191 UNP A9XG43 EXPRESSION TAG SEQRES 1 A 192 MET GLY PRO SER LEU ASP PHE ALA LEU SER LEU LEU ARG SEQRES 2 A 192 ARG ASN VAL ARG GLN VAL GLN THR ASP GLN GLY HIS PHE SEQRES 3 A 192 THR MET LEU GLY VAL ARG ASP ARG LEU ALA VAL LEU PRO SEQRES 4 A 192 ARG HIS SER GLN PRO GLY LYS THR ILE TRP ILE GLU HIS SEQRES 5 A 192 LYS LEU VAL ASN ILE LEU ASP ALA VAL GLU LEU VAL ASP SEQRES 6 A 192 GLU GLN GLY VAL ASN LEU GLU LEU THR LEU ILE THR LEU SEQRES 7 A 192 ASP THR ASN GLU LYS PHE ARG ASP ILE THR LYS PHE ILE SEQRES 8 A 192 PRO GLU ASN ILE SER THR ALA SER ASP ALA THR LEU VAL SEQRES 9 A 192 ILE ASN THR GLU HIS MET PRO SER MET PHE VAL PRO VAL SEQRES 10 A 192 GLY ASP VAL VAL GLN TYR GLY PHE LEU ASN LEU SER GLY SEQRES 11 A 192 LYS PRO THR HIS ARG THR MET MET TYR ASN PHE PRO THR SEQRES 12 A 192 LYS ALA GLY GLN CYS GLY GLY VAL VAL THR SER VAL GLY SEQRES 13 A 192 LYS VAL ILE GLY ILE HIS ILE GLY GLY ASN GLY ARG GLN SEQRES 14 A 192 GLY PHE CYS ALA GLY LEU LYS ARG SER TYR PHE ALA SER SEQRES 15 A 192 GLU GLN LEU GLU HIS HIS HIS HIS HIS HIS HET GHZ A 201 29 HETNAM GHZ NALPHA-[(2-METHYLPROPOXY)CARBONYL]-N-{(2S)-1-OXO-3- HETNAM 2 GHZ [(3S)-2-OXOPYRROLIDIN-3-YL]PROPAN-2-YL}-L- HETNAM 3 GHZ PHENYLALANINAMIDE FORMUL 2 GHZ C21 H29 N3 O5 FORMUL 3 HOH *13(H2 O) HELIX 1 AA1 GLY A 1 ASN A 14 1 14 HELIX 2 AA2 HIS A 40 GLN A 42 5 3 HELIX 3 AA3 ILE A 86 ILE A 90 5 5 HELIX 4 AA4 LYS A 175 ALA A 180 5 6 SHEET 1 AA1 7 VAL A 15 THR A 20 0 SHEET 2 AA1 7 GLY A 23 ARG A 31 -1 O MET A 27 N ARG A 16 SHEET 3 AA1 7 LEU A 34 PRO A 38 -1 O LEU A 34 N VAL A 30 SHEET 4 AA1 7 ASN A 69 ASP A 78 -1 O THR A 73 N LEU A 37 SHEET 5 AA1 7 LYS A 52 VAL A 63 -1 N LEU A 57 O THR A 76 SHEET 6 AA1 7 THR A 46 ILE A 49 -1 N ILE A 47 O VAL A 54 SHEET 7 AA1 7 VAL A 15 THR A 20 -1 N GLN A 19 O TRP A 48 SHEET 1 AA2 7 ALA A 97 ILE A 104 0 SHEET 2 AA2 7 MET A 112 LEU A 127 -1 O VAL A 114 N LEU A 102 SHEET 3 AA2 7 LYS A 130 TYR A 138 -1 O MET A 137 N VAL A 120 SHEET 4 AA2 7 GLY A 169 GLY A 173 -1 O GLY A 169 N TYR A 138 SHEET 5 AA2 7 LYS A 156 GLY A 164 -1 N ILE A 160 O ALA A 172 SHEET 6 AA2 7 VAL A 150 SER A 153 -1 N VAL A 151 O ILE A 158 SHEET 7 AA2 7 ALA A 97 ILE A 104 -1 N VAL A 103 O VAL A 150 LINK SG CYS A 147 C27 GHZ A 201 1555 1555 1.76 SITE *** AC1 14 ARG A 39 HIS A 40 GLU A 71 LEU A 127 SITE *** AC1 14 SER A 128 THR A 142 LYS A 143 ALA A 144 SITE *** AC1 14 GLY A 145 CYS A 147 HIS A 161 ILE A 162 SITE *** AC1 14 GLY A 163 GLY A 164 CRYST1 64.119 64.564 75.334 90.00 90.00 90.00 C 2 2 21 8 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 0.015596 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015489 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013274 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 82 LYS HZ3 : A 82 LYS NZ : A 32 ASP OD1 :(NH2R) USER MOD Set 1.1: A 93 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Set 1.2: A 175 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 137 MET CE :methyl 134:sc=-0.00657 (180deg=-1.08) USER MOD Set 2.2: A 139 ASN :FLIP amide:sc= -1.95! C(o=-9.2!,f=-1.2!) USER MOD Set 2.3: A 165 ASN : amide:sc= -0.299 K(o=-1.2,f=-8.9!) USER MOD Set 2.4: A 168 GLN : amide:sc= 1.08 K(o=-1.2,f=-5) USER MOD Set 3.1: A 138 TYR OH : rot -10:sc= -2.99! USER MOD Set 3.2: A 142 THR OG1 : rot 92:sc= 0.0918 USER MOD Set 3.3: A 161 HIS : no HD1:sc= -0.389 K(o=-3.3,f=-7!) USER MOD Set 4.1: A 69 ASN : amide:sc= 1.73 K(o=2.1,f=1.2) USER MOD Set 4.2: A 132 THR OG1 : rot 180:sc= 0.361 USER MOD Set 5.1: A 51 HIS : no HE2:sc= 0 K(o=0.32,f=-0.2) USER MOD Set 5.2: A 52 LYS NZ :NH3+ -147:sc= 0.319 (180deg=0.0613) USER MOD Set 6.1: A 17 GLN : amide:sc= 0.119 X(o=0.37,f=-0.076) USER MOD Set 6.2: A 105 ASN : amide:sc= 0.253 K(o=0.37,f=-3.3!) USER MOD Single : A 0 MET CE :methyl -156:sc= -0.254 (180deg=-0.893) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -58:sc= 0.958 USER MOD Single : A 14 ASN : amide:sc= 1.46 K(o=1.5,f=-3.4!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 173:sc= 1.37 USER MOD Single : A 22 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.26) USER MOD Single : A 24 HIS : no HD1:sc= -0.333 K(o=-0.33,f=-1.3) USER MOD Single : A 26 THR OG1 : rot 170:sc= 0.137 USER MOD Single : A 27 MET CE :methyl -106:sc= -0.128 (180deg=-2.3!) USER MOD Single : A 40 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.4!) USER MOD Single : A 41 SER OG : rot 150:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.045) USER MOD Single : A 66 GLN : amide:sc=-0.00817 K(o=-0.0082,f=-0.52) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 1.06 K(o=1.1,f=-2.7) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -73:sc= -2.4! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -160:sc= -0.0553 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.29) USER MOD Single : A 109 MET CE :methyl -172:sc= 0 (180deg=-0.00369) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.042) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -0.871 K(o=-0.87,f=-6!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0102) USER MOD Single : A 133 HIS : no HE2:sc= 0.984 K(o=0.98,f=-3.3!) USER MOD Single : A 135 THR OG1 : rot 160:sc= -0.0379 USER MOD Single : A 136 MET CE :methyl -145:sc= 0 (180deg=-0.0533) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.78) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 129:sc= 0 USER MOD Single : A 156 LYS NZ :NH3+ -124:sc= -4.23! (180deg=-7.73!) USER MOD Single : A 171 CYS SG : rot -150:sc= -0.707 USER MOD Single : A 177 SER OG : rot 180:sc= 0.0992 USER MOD Single : A 178 TYR OH : rot 180:sc=-0.00143 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.289 31.237 26.799 1.00 49.67 N ATOM 2 CA MET A 0 -0.097 30.528 25.535 1.00 48.32 C ATOM 3 C MET A 0 -0.671 31.487 24.499 1.00 44.26 C ATOM 4 O MET A 0 -1.448 32.386 24.812 1.00 41.93 O ATOM 5 CB MET A 0 -1.102 29.410 25.843 1.00 50.33 C ATOM 6 CG MET A 0 -1.549 28.534 24.674 1.00 48.31 C ATOM 7 SD MET A 0 -2.646 27.270 25.361 1.00 46.88 S ATOM 8 CE MET A 0 -1.552 26.284 26.390 1.00 44.88 C ATOM 0 H1 MET A 0 0.619 30.649 27.380 1.00 49.67 H new ATOM 0 H2 MET A 0 0.905 31.853 26.618 1.00 49.67 H new ATOM 0 H3 MET A 0 -0.428 31.630 27.150 1.00 49.67 H new ATOM 0 HA MET A 0 0.708 30.140 25.157 1.00 48.32 H new ATOM 0 HB2 MET A 0 -0.713 28.834 26.519 1.00 50.33 H new ATOM 0 HB3 MET A 0 -1.892 29.815 26.235 1.00 50.33 H new ATOM 0 HG2 MET A 0 -2.010 29.063 24.004 1.00 48.31 H new ATOM 0 HG3 MET A 0 -0.785 28.126 24.237 1.00 48.31 H new ATOM 0 HE1 MET A 0 -1.923 25.394 26.498 1.00 44.88 H new ATOM 0 HE2 MET A 0 -0.680 26.221 25.969 1.00 44.88 H new ATOM 0 HE3 MET A 0 -1.461 26.703 27.260 1.00 44.88 H new ATOM 9 N GLY A 1 -0.279 31.275 23.255 1.00 44.72 N ATOM 10 CA GLY A 1 -0.635 32.169 22.167 1.00 44.41 C ATOM 11 C GLY A 1 -1.889 31.750 21.404 1.00 46.55 C ATOM 12 O GLY A 1 -2.410 30.643 21.558 1.00 48.25 O ATOM 0 H GLY A 1 0.204 30.605 23.015 1.00 44.72 H new ATOM 0 HA2 GLY A 1 -0.768 33.061 22.524 1.00 44.41 H new ATOM 0 HA3 GLY A 1 0.108 32.220 21.546 1.00 44.41 H new ATOM 13 N PRO A 2 -2.369 32.639 20.543 1.00 45.55 N ATOM 14 CA PRO A 2 -3.599 32.538 19.800 1.00 44.19 C ATOM 15 C PRO A 2 -3.925 31.189 19.176 1.00 43.44 C ATOM 16 O PRO A 2 -4.967 30.622 19.525 1.00 43.24 O ATOM 17 CB PRO A 2 -3.375 33.537 18.664 1.00 47.17 C ATOM 18 CG PRO A 2 -1.935 33.875 18.648 1.00 45.08 C ATOM 19 CD PRO A 2 -1.609 33.818 20.105 1.00 45.59 C ATOM 0 HA PRO A 2 -4.343 32.692 20.403 1.00 44.19 H new ATOM 0 HB2 PRO A 2 -3.645 33.154 17.815 1.00 47.17 H new ATOM 0 HB3 PRO A 2 -3.911 34.334 18.800 1.00 47.17 H new ATOM 0 HG2 PRO A 2 -1.415 33.240 18.131 1.00 45.08 H new ATOM 0 HG3 PRO A 2 -1.769 34.752 18.269 1.00 45.08 H new ATOM 0 HD2 PRO A 2 -0.657 33.714 20.260 1.00 45.59 H new ATOM 0 HD3 PRO A 2 -1.886 34.622 20.571 1.00 45.59 H new ATOM 20 N SER A 3 -3.076 30.700 18.251 1.00 40.20 N ATOM 21 CA SER A 3 -3.430 29.531 17.399 1.00 38.31 C ATOM 22 C SER A 3 -3.306 28.181 18.132 1.00 35.15 C ATOM 23 O SER A 3 -4.088 27.250 17.881 1.00 33.64 O ATOM 24 CB SER A 3 -2.606 29.495 16.113 1.00 40.72 C ATOM 25 OG SER A 3 -2.747 30.697 15.384 1.00 44.36 O ATOM 0 H SER A 3 -2.295 31.025 18.099 1.00 40.20 H new ATOM 0 HA SER A 3 -4.365 29.656 17.174 1.00 38.31 H new ATOM 0 HB2 SER A 3 -1.671 29.352 16.328 1.00 40.72 H new ATOM 0 HB3 SER A 3 -2.889 28.746 15.565 1.00 40.72 H new ATOM 0 HG SER A 3 -2.285 30.656 14.683 1.00 44.36 H new ATOM 26 N LEU A 4 -2.335 28.087 19.039 1.00 30.58 N ATOM 27 CA LEU A 4 -2.243 26.941 19.915 1.00 29.00 C ATOM 28 C LEU A 4 -3.493 26.843 20.786 1.00 30.07 C ATOM 29 O LEU A 4 -4.022 25.760 21.012 1.00 31.03 O ATOM 30 CB LEU A 4 -0.988 27.033 20.793 1.00 27.55 C ATOM 31 CG LEU A 4 -0.642 25.769 21.565 1.00 25.62 C ATOM 32 CD1 LEU A 4 -0.418 24.608 20.624 1.00 25.04 C ATOM 33 CD2 LEU A 4 0.584 25.992 22.426 1.00 25.98 C ATOM 0 H LEU A 4 -1.723 28.680 19.157 1.00 30.58 H new ATOM 0 HA LEU A 4 -2.178 26.141 19.371 1.00 29.00 H new ATOM 0 HB2 LEU A 4 -0.234 27.267 20.230 1.00 27.55 H new ATOM 0 HB3 LEU A 4 -1.106 27.759 21.426 1.00 27.55 H new ATOM 0 HG LEU A 4 -1.392 25.553 22.142 1.00 25.62 H new ATOM 0 HD11 LEU A 4 -0.199 23.814 21.136 1.00 25.04 H new ATOM 0 HD12 LEU A 4 -1.224 24.448 20.109 1.00 25.04 H new ATOM 0 HD13 LEU A 4 0.314 24.816 20.022 1.00 25.04 H new ATOM 0 HD21 LEU A 4 0.791 25.178 22.911 1.00 25.98 H new ATOM 0 HD22 LEU A 4 1.336 26.233 21.862 1.00 25.98 H new ATOM 0 HD23 LEU A 4 0.411 26.708 23.057 1.00 25.98 H new ATOM 34 N ASP A 5 -3.957 27.983 21.283 1.00 31.50 N ATOM 35 CA ASP A 5 -5.142 28.021 22.152 1.00 31.06 C ATOM 36 C ASP A 5 -6.384 27.600 21.394 1.00 31.83 C ATOM 37 O ASP A 5 -7.210 26.842 21.927 1.00 35.36 O ATOM 38 CB ASP A 5 -5.370 29.412 22.741 1.00 29.63 C ATOM 39 CG ASP A 5 -6.436 29.411 23.795 1.00 28.31 C ATOM 40 OD1 ASP A 5 -6.124 28.987 24.940 1.00 25.73 O ATOM 41 OD2 ASP A 5 -7.574 29.827 23.454 1.00 28.00 O ATOM 0 H ASP A 5 -3.603 28.752 21.132 1.00 31.50 H new ATOM 0 HA ASP A 5 -4.975 27.398 22.877 1.00 31.06 H new ATOM 0 HB2 ASP A 5 -4.541 29.740 23.122 1.00 29.63 H new ATOM 0 HB3 ASP A 5 -5.619 30.025 22.032 1.00 29.63 H new ATOM 42 N PHE A 6 -6.510 28.082 20.157 1.00 30.54 N ATOM 43 CA PHE A 6 -7.614 27.691 19.294 1.00 29.95 C ATOM 44 C PHE A 6 -7.573 26.211 18.927 1.00 32.54 C ATOM 45 O PHE A 6 -8.579 25.510 19.022 1.00 36.30 O ATOM 46 CB PHE A 6 -7.620 28.525 18.021 1.00 30.20 C ATOM 47 CG PHE A 6 -8.802 28.251 17.123 1.00 30.85 C ATOM 48 CD1 PHE A 6 -10.072 28.773 17.427 1.00 31.14 C ATOM 49 CD2 PHE A 6 -8.660 27.456 15.991 1.00 29.48 C ATOM 50 CE1 PHE A 6 -11.148 28.523 16.593 1.00 31.59 C ATOM 51 CE2 PHE A 6 -9.738 27.197 15.160 1.00 29.36 C ATOM 52 CZ PHE A 6 -10.976 27.721 15.454 1.00 30.90 C ATOM 0 H PHE A 6 -5.961 28.640 19.801 1.00 30.54 H new ATOM 0 HA PHE A 6 -8.428 27.851 19.798 1.00 29.95 H new ATOM 0 HB2 PHE A 6 -7.616 29.465 18.260 1.00 30.20 H new ATOM 0 HB3 PHE A 6 -6.802 28.354 17.528 1.00 30.20 H new ATOM 0 HD1 PHE A 6 -10.189 29.289 18.192 1.00 31.14 H new ATOM 0 HD2 PHE A 6 -7.828 27.092 15.788 1.00 29.48 H new ATOM 0 HE1 PHE A 6 -11.982 28.885 16.787 1.00 31.59 H new ATOM 0 HE2 PHE A 6 -9.625 26.669 14.403 1.00 29.36 H new ATOM 0 HZ PHE A 6 -11.700 27.544 14.897 1.00 30.90 H new ATOM 53 N ALA A 7 -6.409 25.728 18.507 1.00 34.05 N ATOM 54 CA ALA A 7 -6.280 24.333 18.061 1.00 32.48 C ATOM 55 C ALA A 7 -6.441 23.356 19.238 1.00 29.77 C ATOM 56 O ALA A 7 -6.952 22.244 19.088 1.00 28.64 O ATOM 57 CB ALA A 7 -4.940 24.134 17.357 1.00 32.82 C ATOM 0 H ALA A 7 -5.681 26.185 18.470 1.00 34.05 H new ATOM 0 HA ALA A 7 -6.992 24.143 17.430 1.00 32.48 H new ATOM 0 HB1 ALA A 7 -4.861 23.212 17.065 1.00 32.82 H new ATOM 0 HB2 ALA A 7 -4.888 24.722 16.587 1.00 32.82 H new ATOM 0 HB3 ALA A 7 -4.218 24.341 17.971 1.00 32.82 H new ATOM 58 N LEU A 8 -5.997 23.792 20.409 1.00 27.81 N ATOM 59 CA LEU A 8 -6.180 23.020 21.643 1.00 27.07 C ATOM 60 C LEU A 8 -7.626 23.081 22.154 1.00 26.31 C ATOM 61 O LEU A 8 -8.100 22.134 22.795 1.00 24.36 O ATOM 62 CB LEU A 8 -5.195 23.480 22.738 1.00 26.13 C ATOM 63 CG LEU A 8 -3.734 23.006 22.615 1.00 25.23 C ATOM 64 CD1 LEU A 8 -2.960 23.432 23.838 1.00 25.00 C ATOM 65 CD2 LEU A 8 -3.596 21.500 22.471 1.00 24.97 C ATOM 0 H LEU A 8 -5.583 24.538 20.516 1.00 27.81 H new ATOM 0 HA LEU A 8 -5.988 22.094 21.427 1.00 27.07 H new ATOM 0 HB2 LEU A 8 -5.196 24.450 22.755 1.00 26.13 H new ATOM 0 HB3 LEU A 8 -5.537 23.181 23.595 1.00 26.13 H new ATOM 0 HG LEU A 8 -3.384 23.414 21.807 1.00 25.23 H new ATOM 0 HD11 LEU A 8 -2.041 23.133 23.760 1.00 25.00 H new ATOM 0 HD12 LEU A 8 -2.980 24.399 23.913 1.00 25.00 H new ATOM 0 HD13 LEU A 8 -3.361 23.038 24.628 1.00 25.00 H new ATOM 0 HD21 LEU A 8 -2.657 21.266 22.398 1.00 24.97 H new ATOM 0 HD22 LEU A 8 -3.978 21.064 23.249 1.00 24.97 H new ATOM 0 HD23 LEU A 8 -4.064 21.207 21.674 1.00 24.97 H new ATOM 66 N SER A 9 -8.315 24.189 21.877 1.00 26.58 N ATOM 67 CA SER A 9 -9.718 24.331 22.280 1.00 27.73 C ATOM 68 C SER A 9 -10.610 23.405 21.445 1.00 26.19 C ATOM 69 O SER A 9 -11.564 22.833 21.955 1.00 25.72 O ATOM 70 CB SER A 9 -10.206 25.771 22.127 1.00 28.83 C ATOM 71 OG SER A 9 -10.642 26.009 20.769 1.00 31.66 O ATOM 0 H SER A 9 -7.992 24.867 21.459 1.00 26.58 H new ATOM 0 HA SER A 9 -9.774 24.085 23.217 1.00 27.73 H new ATOM 0 HB2 SER A 9 -10.937 25.939 22.742 1.00 28.83 H new ATOM 0 HB3 SER A 9 -9.493 26.387 22.358 1.00 28.83 H new ATOM 0 HG SER A 9 -10.008 25.856 20.240 1.00 31.66 H new ATOM 72 N LEU A 10 -10.294 23.282 20.160 1.00 25.36 N ATOM 73 CA LEU A 10 -10.953 22.300 19.298 1.00 25.31 C ATOM 74 C LEU A 10 -10.708 20.870 19.779 1.00 25.20 C ATOM 75 O LEU A 10 -11.618 20.040 19.764 1.00 24.42 O ATOM 76 CB LEU A 10 -10.451 22.413 17.857 1.00 25.69 C ATOM 77 CG LEU A 10 -11.009 23.512 16.961 1.00 26.05 C ATOM 78 CD1 LEU A 10 -10.237 23.415 15.653 1.00 28.18 C ATOM 79 CD2 LEU A 10 -12.501 23.335 16.689 1.00 25.28 C ATOM 0 H LEU A 10 -9.698 23.759 19.764 1.00 25.36 H new ATOM 0 HA LEU A 10 -11.903 22.493 19.336 1.00 25.31 H new ATOM 0 HB2 LEU A 10 -9.488 22.524 17.891 1.00 25.69 H new ATOM 0 HB3 LEU A 10 -10.623 21.564 17.420 1.00 25.69 H new ATOM 0 HG LEU A 10 -10.910 24.375 17.392 1.00 26.05 H new ATOM 0 HD11 LEU A 10 -10.553 24.097 15.039 1.00 28.18 H new ATOM 0 HD12 LEU A 10 -9.292 23.548 15.824 1.00 28.18 H new ATOM 0 HD13 LEU A 10 -10.374 22.539 15.260 1.00 28.18 H new ATOM 0 HD21 LEU A 10 -12.813 24.053 16.117 1.00 25.28 H new ATOM 0 HD22 LEU A 10 -12.651 22.484 16.249 1.00 25.28 H new ATOM 0 HD23 LEU A 10 -12.988 23.355 17.528 1.00 25.28 H new ATOM 80 N LEU A 11 -9.469 20.587 20.193 1.00 24.05 N ATOM 81 CA LEU A 11 -9.110 19.243 20.613 1.00 24.80 C ATOM 82 C LEU A 11 -9.920 18.857 21.838 1.00 27.20 C ATOM 83 O LEU A 11 -10.201 17.678 22.129 1.00 25.78 O ATOM 84 CB LEU A 11 -7.643 19.197 20.965 1.00 25.24 C ATOM 85 CG LEU A 11 -6.643 18.683 19.929 1.00 26.11 C ATOM 86 CD1 LEU A 11 -5.253 18.712 20.578 1.00 25.11 C ATOM 87 CD2 LEU A 11 -7.017 17.286 19.417 1.00 25.79 C ATOM 0 H LEU A 11 -8.829 21.160 20.236 1.00 24.05 H new ATOM 0 HA LEU A 11 -9.295 18.625 19.888 1.00 24.80 H new ATOM 0 HB2 LEU A 11 -7.373 20.096 21.210 1.00 25.24 H new ATOM 0 HB3 LEU A 11 -7.550 18.647 21.758 1.00 25.24 H new ATOM 0 HG LEU A 11 -6.651 19.252 19.143 1.00 26.11 H new ATOM 0 HD11 LEU A 11 -4.593 18.390 19.944 1.00 25.11 H new ATOM 0 HD12 LEU A 11 -5.036 19.621 20.837 1.00 25.11 H new ATOM 0 HD13 LEU A 11 -5.250 18.143 21.363 1.00 25.11 H new ATOM 0 HD21 LEU A 11 -6.362 16.994 18.764 1.00 25.79 H new ATOM 0 HD22 LEU A 11 -7.032 16.662 20.160 1.00 25.79 H new ATOM 0 HD23 LEU A 11 -7.894 17.317 19.003 1.00 25.79 H new ATOM 88 N ARG A 12 -10.294 19.911 22.546 1.00 31.54 N ATOM 89 CA ARG A 12 -10.887 19.852 23.866 1.00 33.63 C ATOM 90 C ARG A 12 -12.382 19.626 23.713 1.00 32.33 C ATOM 91 O ARG A 12 -12.978 18.788 24.406 1.00 32.58 O ATOM 92 CB ARG A 12 -10.650 21.203 24.554 1.00 37.31 C ATOM 93 CG ARG A 12 -10.143 21.141 25.996 1.00 42.92 C ATOM 94 CD ARG A 12 -9.967 22.557 26.584 1.00 45.13 C ATOM 95 NE ARG A 12 -11.276 23.220 26.763 1.00 44.44 N ATOM 96 CZ ARG A 12 -11.615 24.435 26.317 1.00 43.79 C ATOM 97 NH1 ARG A 12 -10.740 25.226 25.683 1.00 39.11 N ATOM 98 NH2 ARG A 12 -12.857 24.869 26.535 1.00 48.06 N ATOM 0 H ARG A 12 -10.204 20.715 22.255 1.00 31.54 H new ATOM 0 HA ARG A 12 -10.497 19.135 24.390 1.00 33.63 H new ATOM 0 HB2 ARG A 12 -10.011 21.707 24.026 1.00 37.31 H new ATOM 0 HB3 ARG A 12 -11.482 21.702 24.544 1.00 37.31 H new ATOM 0 HG2 ARG A 12 -10.768 20.637 26.540 1.00 42.92 H new ATOM 0 HG3 ARG A 12 -9.296 20.668 26.024 1.00 42.92 H new ATOM 0 HD2 ARG A 12 -9.508 22.502 27.437 1.00 45.13 H new ATOM 0 HD3 ARG A 12 -9.409 23.089 25.995 1.00 45.13 H new ATOM 0 HE ARG A 12 -11.877 22.783 27.195 1.00 44.44 H new ATOM 0 HH11 ARG A 12 -9.934 24.957 25.552 1.00 39.11 H new ATOM 0 HH12 ARG A 12 -10.984 26.003 25.407 1.00 39.11 H new ATOM 0 HH21 ARG A 12 -13.419 24.371 26.954 1.00 48.06 H new ATOM 0 HH22 ARG A 12 -13.096 25.647 26.257 1.00 48.06 H new ATOM 99 N ARG A 13 -12.970 20.371 22.779 1.00 29.18 N ATOM 100 CA ARG A 13 -14.411 20.507 22.684 1.00 28.93 C ATOM 101 C ARG A 13 -15.047 19.890 21.452 1.00 28.67 C ATOM 102 O ARG A 13 -16.234 19.539 21.493 1.00 30.87 O ATOM 103 CB ARG A 13 -14.765 21.978 22.659 1.00 29.83 C ATOM 104 CG ARG A 13 -14.374 22.692 23.919 1.00 31.51 C ATOM 105 CD ARG A 13 -15.519 23.570 24.342 1.00 32.98 C ATOM 106 NE ARG A 13 -15.067 24.892 24.736 1.00 36.06 N ATOM 107 CZ ARG A 13 -15.886 25.850 25.158 1.00 39.82 C ATOM 108 NH1 ARG A 13 -17.202 25.647 25.234 1.00 39.89 N ATOM 109 NH2 ARG A 13 -15.384 27.022 25.523 1.00 44.46 N ATOM 0 H ARG A 13 -12.537 20.812 22.181 1.00 29.18 H new ATOM 0 HA ARG A 13 -14.755 20.030 23.455 1.00 28.93 H new ATOM 0 HB2 ARG A 13 -14.325 22.399 21.904 1.00 29.83 H new ATOM 0 HB3 ARG A 13 -15.720 22.074 22.521 1.00 29.83 H new ATOM 0 HG2 ARG A 13 -14.163 22.053 24.617 1.00 31.51 H new ATOM 0 HG3 ARG A 13 -13.577 23.225 23.772 1.00 31.51 H new ATOM 0 HD2 ARG A 13 -16.153 23.649 23.612 1.00 32.98 H new ATOM 0 HD3 ARG A 13 -15.989 23.155 25.082 1.00 32.98 H new ATOM 0 HE ARG A 13 -14.225 25.064 24.694 1.00 36.06 H new ATOM 0 HH11 ARG A 13 -17.534 24.886 25.008 1.00 39.89 H new ATOM 0 HH12 ARG A 13 -17.719 26.277 25.509 1.00 39.89 H new ATOM 0 HH21 ARG A 13 -14.535 27.157 25.485 1.00 44.46 H new ATOM 0 HH22 ARG A 13 -15.907 27.647 25.797 1.00 44.46 H new ATOM 110 N ASN A 14 -14.309 19.799 20.345 1.00 25.88 N ATOM 111 CA ASN A 14 -14.941 19.429 19.078 1.00 22.92 C ATOM 112 C ASN A 14 -14.373 18.224 18.334 1.00 22.03 C ATOM 113 O ASN A 14 -15.086 17.587 17.583 1.00 22.05 O ATOM 114 CB ASN A 14 -15.001 20.631 18.158 1.00 22.51 C ATOM 115 CG ASN A 14 -15.919 21.722 18.688 1.00 22.52 C ATOM 116 OD1 ASN A 14 -15.492 22.604 19.416 1.00 21.49 O ATOM 117 ND2 ASN A 14 -17.184 21.674 18.293 1.00 22.94 N ATOM 0 H ASN A 14 -13.462 19.943 20.305 1.00 25.88 H new ATOM 0 HA ASN A 14 -15.826 19.132 19.343 1.00 22.92 H new ATOM 0 HB2 ASN A 14 -14.108 20.991 18.042 1.00 22.51 H new ATOM 0 HB3 ASN A 14 -15.309 20.350 17.282 1.00 22.51 H new ATOM 0 HD21 ASN A 14 -17.738 22.279 18.550 1.00 22.94 H new ATOM 0 HD22 ASN A 14 -17.450 21.038 17.780 1.00 22.94 H new ATOM 118 N VAL A 15 -13.116 17.892 18.567 1.00 21.62 N ATOM 119 CA VAL A 15 -12.445 16.857 17.824 1.00 21.32 C ATOM 120 C VAL A 15 -12.397 15.587 18.661 1.00 21.36 C ATOM 121 O VAL A 15 -11.850 15.557 19.755 1.00 23.53 O ATOM 122 CB VAL A 15 -11.022 17.317 17.449 1.00 22.90 C ATOM 123 CG1 VAL A 15 -10.220 16.191 16.784 1.00 23.91 C ATOM 124 CG2 VAL A 15 -11.082 18.534 16.531 1.00 23.37 C ATOM 0 H VAL A 15 -12.627 18.267 19.167 1.00 21.62 H new ATOM 0 HA VAL A 15 -12.931 16.675 17.005 1.00 21.32 H new ATOM 0 HB VAL A 15 -10.566 17.560 18.270 1.00 22.90 H new ATOM 0 HG11 VAL A 15 -9.333 16.513 16.562 1.00 23.91 H new ATOM 0 HG12 VAL A 15 -10.148 15.441 17.395 1.00 23.91 H new ATOM 0 HG13 VAL A 15 -10.672 15.906 15.975 1.00 23.91 H new ATOM 0 HG21 VAL A 15 -10.181 18.812 16.303 1.00 23.37 H new ATOM 0 HG22 VAL A 15 -11.564 18.305 15.721 1.00 23.37 H new ATOM 0 HG23 VAL A 15 -11.539 19.259 16.984 1.00 23.37 H new ATOM 125 N ARG A 16 -12.942 14.517 18.133 1.00 20.68 N ATOM 126 CA ARG A 16 -13.088 13.318 18.898 1.00 22.14 C ATOM 127 C ARG A 16 -12.345 12.154 18.289 1.00 22.32 C ATOM 128 O ARG A 16 -12.231 12.054 17.048 1.00 20.59 O ATOM 129 CB ARG A 16 -14.582 12.963 19.020 1.00 23.96 C ATOM 130 CG ARG A 16 -15.387 13.992 19.795 1.00 25.82 C ATOM 131 CD ARG A 16 -15.165 13.889 21.304 1.00 27.70 C ATOM 132 NE ARG A 16 -15.907 14.965 21.969 1.00 30.36 N ATOM 133 CZ ARG A 16 -15.375 16.080 22.477 1.00 29.88 C ATOM 134 NH1 ARG A 16 -14.067 16.302 22.468 1.00 29.87 N ATOM 135 NH2 ARG A 16 -16.174 16.966 23.031 1.00 29.92 N ATOM 0 H ARG A 16 -13.235 14.469 17.326 1.00 20.68 H new ATOM 0 HA ARG A 16 -12.705 13.484 19.774 1.00 22.14 H new ATOM 0 HB2 ARG A 16 -14.959 12.871 18.131 1.00 23.96 H new ATOM 0 HB3 ARG A 16 -14.668 12.101 19.456 1.00 23.96 H new ATOM 0 HG2 ARG A 16 -15.144 14.882 19.495 1.00 25.82 H new ATOM 0 HG3 ARG A 16 -16.330 13.875 19.601 1.00 25.82 H new ATOM 0 HD2 ARG A 16 -15.464 13.025 21.629 1.00 27.70 H new ATOM 0 HD3 ARG A 16 -14.219 13.957 21.509 1.00 27.70 H new ATOM 0 HE ARG A 16 -16.759 14.870 22.038 1.00 30.36 H new ATOM 0 HH11 ARG A 16 -13.534 15.719 22.128 1.00 29.87 H new ATOM 0 HH12 ARG A 16 -13.752 17.029 22.802 1.00 29.87 H new ATOM 0 HH21 ARG A 16 -17.021 16.822 23.061 1.00 29.92 H new ATOM 0 HH22 ARG A 16 -15.849 17.690 23.363 1.00 29.92 H new ATOM 136 N GLN A 17 -11.870 11.272 19.185 1.00 22.08 N ATOM 137 CA GLN A 17 -11.288 9.988 18.788 1.00 21.78 C ATOM 138 C GLN A 17 -12.409 9.010 18.610 1.00 20.48 C ATOM 139 O GLN A 17 -13.217 8.823 19.519 1.00 18.81 O ATOM 140 CB GLN A 17 -10.306 9.408 19.824 1.00 22.16 C ATOM 141 CG GLN A 17 -9.597 10.430 20.682 1.00 22.83 C ATOM 142 CD GLN A 17 -8.514 9.831 21.557 1.00 22.36 C ATOM 143 OE1 GLN A 17 -8.652 8.725 22.080 1.00 22.09 O ATOM 144 NE2 GLN A 17 -7.410 10.576 21.713 1.00 21.39 N ATOM 0 H GLN A 17 -11.879 11.406 20.035 1.00 22.08 H new ATOM 0 HA GLN A 17 -10.785 10.139 17.972 1.00 21.78 H new ATOM 0 HB2 GLN A 17 -10.792 8.801 20.404 1.00 22.16 H new ATOM 0 HB3 GLN A 17 -9.639 8.881 19.357 1.00 22.16 H new ATOM 0 HG2 GLN A 17 -9.204 11.107 20.109 1.00 22.83 H new ATOM 0 HG3 GLN A 17 -10.248 10.878 21.245 1.00 22.83 H new ATOM 0 HE21 GLN A 17 -7.352 11.344 21.331 1.00 21.39 H new ATOM 0 HE22 GLN A 17 -6.760 10.286 22.195 1.00 21.39 H new ATOM 145 N VAL A 18 -12.445 8.375 17.442 1.00 21.55 N ATOM 146 CA VAL A 18 -13.522 7.437 17.119 1.00 22.65 C ATOM 147 C VAL A 18 -12.966 6.204 16.406 1.00 23.10 C ATOM 148 O VAL A 18 -11.802 6.171 16.055 1.00 23.08 O ATOM 149 CB VAL A 18 -14.673 8.102 16.293 1.00 21.59 C ATOM 150 CG1 VAL A 18 -15.203 9.363 16.966 1.00 19.84 C ATOM 151 CG2 VAL A 18 -14.223 8.378 14.856 1.00 21.63 C ATOM 0 H VAL A 18 -11.857 8.472 16.822 1.00 21.55 H new ATOM 0 HA VAL A 18 -13.917 7.156 17.959 1.00 22.65 H new ATOM 0 HB VAL A 18 -15.410 7.472 16.260 1.00 21.59 H new ATOM 0 HG11 VAL A 18 -15.912 9.745 16.426 1.00 19.84 H new ATOM 0 HG12 VAL A 18 -15.550 9.140 17.844 1.00 19.84 H new ATOM 0 HG13 VAL A 18 -14.484 10.008 17.057 1.00 19.84 H new ATOM 0 HG21 VAL A 18 -14.950 8.789 14.362 1.00 21.63 H new ATOM 0 HG22 VAL A 18 -13.460 8.976 14.865 1.00 21.63 H new ATOM 0 HG23 VAL A 18 -13.974 7.543 14.429 1.00 21.63 H new ATOM 152 N GLN A 19 -13.808 5.185 16.265 1.00 25.47 N ATOM 153 CA GLN A 19 -13.463 3.917 15.641 1.00 26.01 C ATOM 154 C GLN A 19 -14.673 3.353 14.900 1.00 26.23 C ATOM 155 O GLN A 19 -15.798 3.521 15.344 1.00 27.02 O ATOM 156 CB GLN A 19 -13.045 2.902 16.702 1.00 27.80 C ATOM 157 CG GLN A 19 -11.560 2.669 16.805 1.00 28.38 C ATOM 158 CD GLN A 19 -11.262 1.207 17.067 1.00 30.50 C ATOM 159 OE1 GLN A 19 -11.003 0.415 16.133 1.00 29.43 O ATOM 160 NE2 GLN A 19 -11.297 0.839 18.336 1.00 31.41 N ATOM 0 H GLN A 19 -14.622 5.216 16.540 1.00 25.47 H new ATOM 0 HA GLN A 19 -12.732 4.074 15.023 1.00 26.01 H new ATOM 0 HB2 GLN A 19 -13.373 3.201 17.564 1.00 27.80 H new ATOM 0 HB3 GLN A 19 -13.480 2.056 16.511 1.00 27.80 H new ATOM 0 HG2 GLN A 19 -11.127 2.950 15.984 1.00 28.38 H new ATOM 0 HG3 GLN A 19 -11.192 3.212 17.520 1.00 28.38 H new ATOM 0 HE21 GLN A 19 -11.479 1.417 18.946 1.00 31.41 H new ATOM 0 HE22 GLN A 19 -11.137 0.022 18.551 1.00 31.41 H new ATOM 161 N THR A 20 -14.435 2.691 13.775 1.00 26.82 N ATOM 162 CA THR A 20 -15.493 2.084 12.973 1.00 27.10 C ATOM 163 C THR A 20 -14.924 0.806 12.352 1.00 30.73 C ATOM 164 O THR A 20 -13.726 0.535 12.446 1.00 30.71 O ATOM 165 CB THR A 20 -16.027 3.032 11.857 1.00 25.07 C ATOM 166 OG1 THR A 20 -15.173 2.990 10.710 1.00 25.12 O ATOM 167 CG2 THR A 20 -16.099 4.433 12.323 1.00 24.46 C ATOM 0 H THR A 20 -13.646 2.579 13.451 1.00 26.82 H new ATOM 0 HA THR A 20 -16.251 1.894 13.548 1.00 27.10 H new ATOM 0 HB THR A 20 -16.917 2.722 11.628 1.00 25.07 H new ATOM 0 HG1 THR A 20 -15.521 3.430 10.085 1.00 25.12 H new ATOM 0 HG21 THR A 20 -16.434 4.995 11.607 1.00 24.46 H new ATOM 0 HG22 THR A 20 -16.696 4.490 13.085 1.00 24.46 H new ATOM 0 HG23 THR A 20 -15.214 4.734 12.583 1.00 24.46 H new ATOM 168 N ASP A 21 -15.782 0.008 11.721 1.00 33.95 N ATOM 169 CA ASP A 21 -15.322 -1.243 11.091 1.00 33.04 C ATOM 170 C ASP A 21 -14.089 -0.963 10.225 1.00 31.43 C ATOM 171 O ASP A 21 -13.263 -1.851 9.959 1.00 29.20 O ATOM 172 CB ASP A 21 -16.435 -1.885 10.245 1.00 32.29 C ATOM 173 CG ASP A 21 -17.570 -2.437 11.097 1.00 33.76 C ATOM 174 OD1 ASP A 21 -17.524 -2.288 12.335 1.00 32.91 O ATOM 175 OD2 ASP A 21 -18.520 -3.026 10.541 1.00 36.00 O ATOM 0 H ASP A 21 -16.624 0.164 11.643 1.00 33.95 H new ATOM 0 HA ASP A 21 -15.086 -1.870 11.793 1.00 33.04 H new ATOM 0 HB2 ASP A 21 -16.789 -1.226 9.628 1.00 32.29 H new ATOM 0 HB3 ASP A 21 -16.058 -2.601 9.710 1.00 32.29 H new ATOM 176 N GLN A 22 -13.963 0.284 9.793 1.00 29.03 N ATOM 177 CA GLN A 22 -12.879 0.642 8.902 1.00 28.41 C ATOM 178 C GLN A 22 -11.567 0.951 9.636 1.00 28.91 C ATOM 179 O GLN A 22 -10.488 0.846 9.056 1.00 29.32 O ATOM 180 CB GLN A 22 -13.327 1.798 8.015 1.00 28.18 C ATOM 181 CG GLN A 22 -14.504 1.418 7.117 1.00 29.49 C ATOM 182 CD GLN A 22 -14.231 0.154 6.337 1.00 31.03 C ATOM 183 OE1 GLN A 22 -14.851 -0.877 6.582 1.00 34.36 O ATOM 184 NE2 GLN A 22 -13.267 0.211 5.422 1.00 31.52 N ATOM 0 H GLN A 22 -14.490 0.930 10.003 1.00 29.03 H new ATOM 0 HA GLN A 22 -12.676 -0.128 8.349 1.00 28.41 H new ATOM 0 HB2 GLN A 22 -13.578 2.552 8.572 1.00 28.18 H new ATOM 0 HB3 GLN A 22 -12.583 2.087 7.464 1.00 28.18 H new ATOM 0 HG2 GLN A 22 -15.299 1.298 7.660 1.00 29.49 H new ATOM 0 HG3 GLN A 22 -14.688 2.144 6.501 1.00 29.49 H new ATOM 0 HE21 GLN A 22 -12.854 0.952 5.278 1.00 31.52 H new ATOM 0 HE22 GLN A 22 -13.056 -0.493 4.975 1.00 31.52 H new ATOM 185 N GLY A 23 -11.670 1.305 10.918 1.00 28.49 N ATOM 186 CA GLY A 23 -10.517 1.637 11.743 1.00 27.93 C ATOM 187 C GLY A 23 -10.744 2.903 12.555 1.00 28.02 C ATOM 188 O GLY A 23 -11.895 3.276 12.812 1.00 24.07 O ATOM 0 H GLY A 23 -12.421 1.358 11.334 1.00 28.49 H new ATOM 0 HA2 GLY A 23 -10.326 0.899 12.343 1.00 27.93 H new ATOM 0 HA3 GLY A 23 -9.738 1.752 11.177 1.00 27.93 H new ATOM 189 N HIS A 24 -9.637 3.571 12.899 1.00 28.37 N ATOM 190 CA HIS A 24 -9.642 4.824 13.656 1.00 28.27 C ATOM 191 C HIS A 24 -9.684 6.043 12.769 1.00 28.45 C ATOM 192 O HIS A 24 -8.942 6.124 11.770 1.00 28.94 O ATOM 193 CB HIS A 24 -8.373 4.950 14.496 1.00 29.51 C ATOM 194 CG HIS A 24 -8.211 3.845 15.482 1.00 30.24 C ATOM 195 ND1 HIS A 24 -8.057 2.530 15.094 1.00 30.08 N ATOM 196 CD2 HIS A 24 -8.241 3.846 16.835 1.00 30.50 C ATOM 197 CE1 HIS A 24 -7.973 1.769 16.169 1.00 31.80 C ATOM 198 NE2 HIS A 24 -8.088 2.540 17.239 1.00 31.62 N ATOM 0 H HIS A 24 -8.847 3.300 12.693 1.00 28.37 H new ATOM 0 HA HIS A 24 -10.441 4.789 14.206 1.00 28.27 H new ATOM 0 HB2 HIS A 24 -7.602 4.966 13.907 1.00 29.51 H new ATOM 0 HB3 HIS A 24 -8.387 5.797 14.968 1.00 29.51 H new ATOM 0 HD2 HIS A 24 -8.345 4.588 17.386 1.00 30.50 H new ATOM 0 HE1 HIS A 24 -7.853 0.847 16.174 1.00 31.80 H new ATOM 0 HE2 HIS A 24 -8.070 2.268 18.055 1.00 31.62 H new ATOM 199 N PHE A 25 -10.538 7.002 13.154 1.00 26.27 N ATOM 200 CA PHE A 25 -10.714 8.293 12.444 1.00 22.66 C ATOM 201 C PHE A 25 -10.815 9.453 13.434 1.00 21.12 C ATOM 202 O PHE A 25 -10.910 9.245 14.662 1.00 18.51 O ATOM 203 CB PHE A 25 -11.946 8.245 11.552 1.00 23.01 C ATOM 204 CG PHE A 25 -11.860 7.185 10.497 1.00 24.56 C ATOM 205 CD1 PHE A 25 -11.326 7.477 9.235 1.00 24.70 C ATOM 206 CD2 PHE A 25 -12.265 5.869 10.774 1.00 25.87 C ATOM 207 CE1 PHE A 25 -11.230 6.499 8.267 1.00 24.45 C ATOM 208 CE2 PHE A 25 -12.162 4.878 9.804 1.00 25.74 C ATOM 209 CZ PHE A 25 -11.646 5.199 8.549 1.00 25.26 C ATOM 0 H PHE A 25 -11.042 6.924 13.846 1.00 26.27 H new ATOM 0 HA PHE A 25 -9.933 8.440 11.887 1.00 22.66 H new ATOM 0 HB2 PHE A 25 -12.731 8.087 12.100 1.00 23.01 H new ATOM 0 HB3 PHE A 25 -12.066 9.109 11.127 1.00 23.01 H new ATOM 0 HD1 PHE A 25 -11.033 8.340 9.048 1.00 24.70 H new ATOM 0 HD2 PHE A 25 -12.605 5.659 11.614 1.00 25.87 H new ATOM 0 HE1 PHE A 25 -10.888 6.707 7.427 1.00 24.45 H new ATOM 0 HE2 PHE A 25 -12.435 4.009 9.991 1.00 25.74 H new ATOM 0 HZ PHE A 25 -11.579 4.541 7.895 1.00 25.26 H new ATOM 210 N THR A 26 -10.758 10.676 12.910 1.00 20.72 N ATOM 211 CA THR A 26 -10.902 11.881 13.743 1.00 20.15 C ATOM 212 C THR A 26 -12.259 12.399 13.363 1.00 20.63 C ATOM 213 O THR A 26 -12.563 12.518 12.168 1.00 20.81 O ATOM 214 CB THR A 26 -9.826 12.981 13.477 1.00 19.69 C ATOM 215 OG1 THR A 26 -8.506 12.492 13.752 1.00 19.76 O ATOM 216 CG2 THR A 26 -10.065 14.184 14.365 1.00 19.66 C ATOM 0 H THR A 26 -10.637 10.835 12.074 1.00 20.72 H new ATOM 0 HA THR A 26 -10.791 11.662 14.681 1.00 20.15 H new ATOM 0 HB THR A 26 -9.898 13.228 12.542 1.00 19.69 H new ATOM 0 HG1 THR A 26 -7.938 13.045 13.474 1.00 19.76 H new ATOM 0 HG21 THR A 26 -9.389 14.857 14.188 1.00 19.66 H new ATOM 0 HG22 THR A 26 -10.943 14.552 14.182 1.00 19.66 H new ATOM 0 HG23 THR A 26 -10.016 13.914 15.296 1.00 19.66 H new ATOM 217 N MET A 27 -13.090 12.687 14.363 1.00 20.29 N ATOM 218 CA MET A 27 -14.445 13.169 14.075 1.00 20.30 C ATOM 219 C MET A 27 -14.507 14.642 14.429 1.00 20.63 C ATOM 220 O MET A 27 -13.981 15.023 15.444 1.00 23.06 O ATOM 221 CB MET A 27 -15.499 12.352 14.862 1.00 19.16 C ATOM 222 CG MET A 27 -16.963 12.696 14.543 1.00 17.32 C ATOM 223 SD MET A 27 -18.123 11.909 15.650 1.00 14.72 S ATOM 224 CE MET A 27 -17.724 12.740 17.194 1.00 15.16 C ATOM 0 H MET A 27 -12.897 12.613 15.198 1.00 20.29 H new ATOM 0 HA MET A 27 -14.648 13.053 13.134 1.00 20.30 H new ATOM 0 HB2 MET A 27 -15.357 11.409 14.683 1.00 19.16 H new ATOM 0 HB3 MET A 27 -15.349 12.486 15.811 1.00 19.16 H new ATOM 0 HG2 MET A 27 -17.081 13.658 14.589 1.00 17.32 H new ATOM 0 HG3 MET A 27 -17.161 12.429 13.632 1.00 17.32 H new ATOM 0 HE1 MET A 27 -17.235 12.133 17.771 1.00 15.16 H new ATOM 0 HE2 MET A 27 -17.179 13.521 17.010 1.00 15.16 H new ATOM 0 HE3 MET A 27 -18.543 13.015 17.635 1.00 15.16 H new ATOM 225 N LEU A 28 -15.104 15.475 13.582 1.00 20.81 N ATOM 226 CA LEU A 28 -15.384 16.860 13.974 1.00 20.01 C ATOM 227 C LEU A 28 -16.863 17.026 14.373 1.00 20.81 C ATOM 228 O LEU A 28 -17.750 16.920 13.557 1.00 20.27 O ATOM 229 CB LEU A 28 -15.010 17.825 12.846 1.00 18.92 C ATOM 230 CG LEU A 28 -15.228 19.314 13.133 1.00 18.69 C ATOM 231 CD1 LEU A 28 -14.369 19.772 14.320 1.00 18.96 C ATOM 232 CD2 LEU A 28 -14.934 20.138 11.887 1.00 17.96 C ATOM 0 H LEU A 28 -15.353 15.266 12.786 1.00 20.81 H new ATOM 0 HA LEU A 28 -14.839 17.074 14.748 1.00 20.01 H new ATOM 0 HB2 LEU A 28 -14.075 17.690 12.626 1.00 18.92 H new ATOM 0 HB3 LEU A 28 -15.524 17.588 12.058 1.00 18.92 H new ATOM 0 HG LEU A 28 -16.157 19.451 13.374 1.00 18.69 H new ATOM 0 HD11 LEU A 28 -14.521 20.716 14.485 1.00 18.96 H new ATOM 0 HD12 LEU A 28 -14.610 19.263 15.110 1.00 18.96 H new ATOM 0 HD13 LEU A 28 -13.432 19.627 14.116 1.00 18.96 H new ATOM 0 HD21 LEU A 28 -15.075 21.078 12.080 1.00 17.96 H new ATOM 0 HD22 LEU A 28 -14.013 19.999 11.616 1.00 17.96 H new ATOM 0 HD23 LEU A 28 -15.526 19.863 11.170 1.00 17.96 H new ATOM 233 N GLY A 29 -17.100 17.260 15.657 1.00 22.77 N ATOM 234 CA GLY A 29 -18.427 17.630 16.165 1.00 22.80 C ATOM 235 C GLY A 29 -18.596 19.115 15.889 1.00 23.80 C ATOM 236 O GLY A 29 -17.773 19.943 16.298 1.00 22.81 O ATOM 0 H GLY A 29 -16.495 17.210 16.267 1.00 22.77 H new ATOM 0 HA2 GLY A 29 -19.121 17.116 15.724 1.00 22.80 H new ATOM 0 HA3 GLY A 29 -18.497 17.445 17.115 1.00 22.80 H new ATOM 237 N VAL A 30 -19.637 19.455 15.138 1.00 24.09 N ATOM 238 CA VAL A 30 -19.803 20.809 14.640 1.00 23.79 C ATOM 239 C VAL A 30 -20.748 21.669 15.481 1.00 23.58 C ATOM 240 O VAL A 30 -20.403 22.785 15.867 1.00 25.31 O ATOM 241 CB VAL A 30 -20.298 20.779 13.194 1.00 23.85 C ATOM 242 CG1 VAL A 30 -20.562 22.194 12.705 1.00 24.91 C ATOM 243 CG2 VAL A 30 -19.270 20.078 12.323 1.00 23.95 C ATOM 0 H VAL A 30 -20.261 18.911 14.906 1.00 24.09 H new ATOM 0 HA VAL A 30 -18.927 21.222 14.696 1.00 23.79 H new ATOM 0 HB VAL A 30 -21.132 20.286 13.143 1.00 23.85 H new ATOM 0 HG11 VAL A 30 -20.875 22.166 11.787 1.00 24.91 H new ATOM 0 HG12 VAL A 30 -21.237 22.609 13.264 1.00 24.91 H new ATOM 0 HG13 VAL A 30 -19.742 22.711 12.751 1.00 24.91 H new ATOM 0 HG21 VAL A 30 -19.583 20.058 11.405 1.00 23.95 H new ATOM 0 HG22 VAL A 30 -18.428 20.557 12.367 1.00 23.95 H new ATOM 0 HG23 VAL A 30 -19.142 19.170 12.640 1.00 23.95 H new ATOM 244 N ARG A 31 -21.943 21.171 15.731 1.00 22.45 N ATOM 245 CA ARG A 31 -22.858 21.831 16.627 1.00 22.86 C ATOM 246 C ARG A 31 -23.909 20.830 17.042 1.00 23.05 C ATOM 247 O ARG A 31 -24.185 19.888 16.306 1.00 23.39 O ATOM 248 CB ARG A 31 -23.515 23.026 15.964 1.00 23.55 C ATOM 249 CG ARG A 31 -24.196 22.712 14.637 1.00 24.67 C ATOM 250 CD ARG A 31 -25.540 23.433 14.530 1.00 25.21 C ATOM 251 NE ARG A 31 -26.148 23.206 13.224 1.00 27.68 N ATOM 252 CZ ARG A 31 -27.211 22.427 12.992 1.00 29.25 C ATOM 253 NH1 ARG A 31 -27.843 21.823 13.990 1.00 30.49 N ATOM 254 NH2 ARG A 31 -27.676 22.282 11.759 1.00 30.05 N ATOM 0 H ARG A 31 -22.244 20.443 15.386 1.00 22.45 H new ATOM 0 HA ARG A 31 -22.371 22.159 17.399 1.00 22.86 H new ATOM 0 HB2 ARG A 31 -24.172 23.399 16.572 1.00 23.55 H new ATOM 0 HB3 ARG A 31 -22.844 23.710 15.817 1.00 23.55 H new ATOM 0 HG2 ARG A 31 -23.621 22.980 13.903 1.00 24.67 H new ATOM 0 HG3 ARG A 31 -24.331 21.755 14.557 1.00 24.67 H new ATOM 0 HD2 ARG A 31 -26.136 23.119 15.228 1.00 25.21 H new ATOM 0 HD3 ARG A 31 -25.413 24.384 14.671 1.00 25.21 H new ATOM 0 HE ARG A 31 -25.795 23.605 12.549 1.00 27.68 H new ATOM 0 HH11 ARG A 31 -27.571 21.930 14.799 1.00 30.49 H new ATOM 0 HH12 ARG A 31 -28.525 21.325 13.828 1.00 30.49 H new ATOM 0 HH21 ARG A 31 -27.294 22.689 11.105 1.00 30.05 H new ATOM 0 HH22 ARG A 31 -28.359 21.781 11.613 1.00 30.05 H new ATOM 255 N ASP A 32 -24.506 21.026 18.212 1.00 23.12 N ATOM 256 CA ASP A 32 -25.591 20.166 18.628 1.00 23.80 C ATOM 257 C ASP A 32 -25.156 18.722 18.634 1.00 23.34 C ATOM 258 O ASP A 32 -24.179 18.389 19.268 1.00 24.60 O ATOM 259 CB ASP A 32 -26.805 20.356 17.697 1.00 24.71 C ATOM 260 CG ASP A 32 -27.448 21.693 17.876 1.00 25.90 C ATOM 261 OD1 ASP A 32 -27.779 22.034 19.030 1.00 28.99 O ATOM 262 OD2 ASP A 32 -27.617 22.406 16.873 1.00 25.91 O ATOM 0 H ASP A 32 -24.297 21.646 18.770 1.00 23.12 H new ATOM 0 HA ASP A 32 -25.847 20.410 19.531 1.00 23.80 H new ATOM 0 HB2 ASP A 32 -26.522 20.255 16.775 1.00 24.71 H new ATOM 0 HB3 ASP A 32 -27.457 19.659 17.871 1.00 24.71 H new ATOM 263 N ARG A 33 -25.892 17.866 17.937 1.00 22.93 N ATOM 264 CA ARG A 33 -25.593 16.439 17.887 1.00 22.73 C ATOM 265 C ARG A 33 -25.069 16.040 16.530 1.00 21.10 C ATOM 266 O ARG A 33 -24.948 14.855 16.213 1.00 21.21 O ATOM 267 CB ARG A 33 -26.845 15.629 18.188 1.00 25.71 C ATOM 268 CG ARG A 33 -26.974 15.245 19.633 1.00 28.64 C ATOM 269 CD ARG A 33 -28.367 15.506 20.141 1.00 32.07 C ATOM 270 NE ARG A 33 -28.360 15.611 21.587 1.00 37.87 N ATOM 271 CZ ARG A 33 -28.654 16.718 22.284 1.00 48.12 C ATOM 272 NH1 ARG A 33 -28.986 17.884 21.689 1.00 50.49 N ATOM 273 NH2 ARG A 33 -28.625 16.652 23.620 1.00 50.18 N ATOM 0 H ARG A 33 -26.582 18.096 17.478 1.00 22.93 H new ATOM 0 HA ARG A 33 -24.913 16.258 18.554 1.00 22.73 H new ATOM 0 HB2 ARG A 33 -27.625 16.143 17.926 1.00 25.71 H new ATOM 0 HB3 ARG A 33 -26.840 14.825 17.646 1.00 25.71 H new ATOM 0 HG2 ARG A 33 -26.758 14.306 19.742 1.00 28.64 H new ATOM 0 HG3 ARG A 33 -26.334 15.746 20.162 1.00 28.64 H new ATOM 0 HD2 ARG A 33 -28.712 16.325 19.752 1.00 32.07 H new ATOM 0 HD3 ARG A 33 -28.959 14.789 19.865 1.00 32.07 H new ATOM 0 HE ARG A 33 -28.150 14.907 22.034 1.00 37.87 H new ATOM 0 HH11 ARG A 33 -29.015 17.936 20.831 1.00 50.49 H new ATOM 0 HH12 ARG A 33 -29.169 18.574 22.168 1.00 50.49 H new ATOM 0 HH21 ARG A 33 -28.422 15.913 24.010 1.00 50.18 H new ATOM 0 HH22 ARG A 33 -28.810 17.349 24.089 1.00 50.18 H new ATOM 274 N LEU A 34 -24.732 17.048 15.746 1.00 19.94 N ATOM 275 CA LEU A 34 -24.228 16.880 14.402 1.00 19.06 C ATOM 276 C LEU A 34 -22.681 16.824 14.378 1.00 18.51 C ATOM 277 O LEU A 34 -21.978 17.730 14.812 1.00 16.11 O ATOM 278 CB LEU A 34 -24.746 18.057 13.549 1.00 19.35 C ATOM 279 CG LEU A 34 -24.325 18.185 12.093 1.00 19.19 C ATOM 280 CD1 LEU A 34 -24.819 17.034 11.259 1.00 19.74 C ATOM 281 CD2 LEU A 34 -24.893 19.458 11.553 1.00 19.60 C ATOM 0 H LEU A 34 -24.792 17.871 15.989 1.00 19.94 H new ATOM 0 HA LEU A 34 -24.543 16.037 14.040 1.00 19.06 H new ATOM 0 HB2 LEU A 34 -25.715 18.021 13.567 1.00 19.35 H new ATOM 0 HB3 LEU A 34 -24.484 18.876 13.998 1.00 19.35 H new ATOM 0 HG LEU A 34 -23.356 18.183 12.052 1.00 19.19 H new ATOM 0 HD11 LEU A 34 -24.531 17.153 10.340 1.00 19.74 H new ATOM 0 HD12 LEU A 34 -24.457 16.204 11.606 1.00 19.74 H new ATOM 0 HD13 LEU A 34 -25.788 17.003 11.292 1.00 19.74 H new ATOM 0 HD21 LEU A 34 -24.635 19.559 10.623 1.00 19.60 H new ATOM 0 HD22 LEU A 34 -25.860 19.435 11.619 1.00 19.60 H new ATOM 0 HD23 LEU A 34 -24.552 20.208 12.066 1.00 19.60 H new ATOM 282 N ALA A 35 -22.173 15.722 13.860 1.00 19.69 N ATOM 283 CA ALA A 35 -20.757 15.558 13.595 1.00 21.01 C ATOM 284 C ALA A 35 -20.491 15.309 12.100 1.00 21.56 C ATOM 285 O ALA A 35 -21.398 15.085 11.326 1.00 24.34 O ATOM 286 CB ALA A 35 -20.220 14.405 14.427 1.00 21.25 C ATOM 0 H ALA A 35 -22.648 15.037 13.649 1.00 19.69 H new ATOM 0 HA ALA A 35 -20.300 16.378 13.840 1.00 21.01 H new ATOM 0 HB1 ALA A 35 -19.273 14.293 14.252 1.00 21.25 H new ATOM 0 HB2 ALA A 35 -20.354 14.595 15.369 1.00 21.25 H new ATOM 0 HB3 ALA A 35 -20.690 13.590 14.192 1.00 21.25 H new ATOM 287 N VAL A 36 -19.235 15.336 11.694 1.00 21.83 N ATOM 288 CA VAL A 36 -18.890 15.037 10.325 1.00 21.39 C ATOM 289 C VAL A 36 -17.685 14.085 10.313 1.00 22.64 C ATOM 290 O VAL A 36 -16.735 14.244 11.090 1.00 21.53 O ATOM 291 CB VAL A 36 -18.604 16.337 9.551 1.00 21.43 C ATOM 292 CG1 VAL A 36 -17.401 17.066 10.118 1.00 21.66 C ATOM 293 CG2 VAL A 36 -18.420 16.066 8.061 1.00 21.39 C ATOM 0 H VAL A 36 -18.566 15.526 12.200 1.00 21.83 H new ATOM 0 HA VAL A 36 -19.632 14.599 9.880 1.00 21.39 H new ATOM 0 HB VAL A 36 -19.378 16.912 9.657 1.00 21.43 H new ATOM 0 HG11 VAL A 36 -17.246 17.878 9.611 1.00 21.66 H new ATOM 0 HG12 VAL A 36 -17.567 17.291 11.047 1.00 21.66 H new ATOM 0 HG13 VAL A 36 -16.619 16.495 10.059 1.00 21.66 H new ATOM 0 HG21 VAL A 36 -18.242 16.900 7.600 1.00 21.39 H new ATOM 0 HG22 VAL A 36 -17.674 15.460 7.932 1.00 21.39 H new ATOM 0 HG23 VAL A 36 -19.227 15.665 7.703 1.00 21.39 H new ATOM 294 N LEU A 37 -17.734 13.090 9.437 1.00 22.89 N ATOM 295 CA LEU A 37 -16.608 12.153 9.249 1.00 24.02 C ATOM 296 C LEU A 37 -16.301 12.019 7.754 1.00 23.14 C ATOM 297 O LEU A 37 -17.158 12.377 6.930 1.00 22.18 O ATOM 298 CB LEU A 37 -17.019 10.754 9.731 1.00 25.09 C ATOM 299 CG LEU A 37 -17.178 10.464 11.200 1.00 25.20 C ATOM 300 CD1 LEU A 37 -17.988 9.200 11.331 1.00 25.73 C ATOM 301 CD2 LEU A 37 -15.812 10.276 11.824 1.00 25.88 C ATOM 0 H LEU A 37 -18.412 12.931 8.933 1.00 22.89 H new ATOM 0 HA LEU A 37 -15.843 12.489 9.742 1.00 24.02 H new ATOM 0 HB2 LEU A 37 -17.864 10.542 9.305 1.00 25.09 H new ATOM 0 HB3 LEU A 37 -16.363 10.129 9.386 1.00 25.09 H new ATOM 0 HG LEU A 37 -17.625 11.196 11.653 1.00 25.20 H new ATOM 0 HD11 LEU A 37 -18.107 8.988 12.270 1.00 25.73 H new ATOM 0 HD12 LEU A 37 -18.856 9.327 10.916 1.00 25.73 H new ATOM 0 HD13 LEU A 37 -17.523 8.471 10.891 1.00 25.73 H new ATOM 0 HD21 LEU A 37 -15.911 10.089 12.771 1.00 25.88 H new ATOM 0 HD22 LEU A 37 -15.359 9.534 11.394 1.00 25.88 H new ATOM 0 HD23 LEU A 37 -15.289 11.085 11.708 1.00 25.88 H new ATOM 302 N PRO A 38 -15.128 11.445 7.394 1.00 21.88 N ATOM 303 CA PRO A 38 -14.890 11.067 5.997 1.00 22.69 C ATOM 304 C PRO A 38 -15.883 10.008 5.587 1.00 24.45 C ATOM 305 O PRO A 38 -16.269 9.164 6.400 1.00 25.80 O ATOM 306 CB PRO A 38 -13.477 10.469 6.002 1.00 21.40 C ATOM 307 CG PRO A 38 -12.852 11.052 7.206 1.00 21.11 C ATOM 308 CD PRO A 38 -13.957 11.155 8.223 1.00 21.43 C ATOM 0 HA PRO A 38 -14.980 11.814 5.385 1.00 22.69 H new ATOM 0 HB2 PRO A 38 -13.501 9.500 6.047 1.00 21.40 H new ATOM 0 HB3 PRO A 38 -12.988 10.704 5.198 1.00 21.40 H new ATOM 0 HG2 PRO A 38 -12.130 10.492 7.531 1.00 21.11 H new ATOM 0 HG3 PRO A 38 -12.471 11.923 7.015 1.00 21.11 H new ATOM 0 HD2 PRO A 38 -14.065 10.331 8.724 1.00 21.43 H new ATOM 0 HD3 PRO A 38 -13.789 11.859 8.869 1.00 21.43 H new ATOM 309 N ARG A 39 -16.294 10.036 4.330 1.00 26.50 N ATOM 310 CA ARG A 39 -17.339 9.115 3.878 1.00 27.73 C ATOM 311 C ARG A 39 -16.881 7.650 4.019 1.00 28.44 C ATOM 312 O ARG A 39 -17.636 6.810 4.531 1.00 28.77 O ATOM 313 CB ARG A 39 -17.804 9.443 2.460 1.00 27.66 C ATOM 314 CG ARG A 39 -19.175 8.879 2.129 1.00 29.83 C ATOM 315 CD ARG A 39 -19.239 8.480 0.662 1.00 32.94 C ATOM 316 NE ARG A 39 -17.883 8.251 0.156 1.00 35.83 N ATOM 317 CZ ARG A 39 -17.320 7.054 -0.079 1.00 34.61 C ATOM 318 NH1 ARG A 39 -18.022 5.928 0.115 1.00 33.55 N ATOM 319 NH2 ARG A 39 -16.044 6.999 -0.525 1.00 30.90 N ATOM 0 H ARG A 39 -15.991 10.569 3.727 1.00 26.50 H new ATOM 0 HA ARG A 39 -18.110 9.232 4.454 1.00 27.73 H new ATOM 0 HB2 ARG A 39 -17.822 10.406 2.348 1.00 27.66 H new ATOM 0 HB3 ARG A 39 -17.157 9.096 1.826 1.00 27.66 H new ATOM 0 HG2 ARG A 39 -19.359 8.109 2.689 1.00 29.83 H new ATOM 0 HG3 ARG A 39 -19.859 9.539 2.322 1.00 29.83 H new ATOM 0 HD2 ARG A 39 -19.773 7.677 0.559 1.00 32.94 H new ATOM 0 HD3 ARG A 39 -19.673 9.177 0.146 1.00 32.94 H new ATOM 0 HE ARG A 39 -17.404 8.947 -0.005 1.00 35.83 H new ATOM 0 HH11 ARG A 39 -18.835 5.971 0.391 1.00 33.55 H new ATOM 0 HH12 ARG A 39 -17.659 5.163 -0.036 1.00 33.55 H new ATOM 0 HH21 ARG A 39 -15.602 7.725 -0.655 1.00 30.90 H new ATOM 0 HH22 ARG A 39 -15.675 6.238 -0.678 1.00 30.90 H new ATOM 320 N HIS A 40 -15.629 7.381 3.630 1.00 28.31 N ATOM 321 CA HIS A 40 -15.111 6.025 3.533 1.00 28.17 C ATOM 322 C HIS A 40 -14.937 5.411 4.896 1.00 28.22 C ATOM 323 O HIS A 40 -14.692 4.208 5.025 1.00 28.64 O ATOM 324 CB HIS A 40 -13.788 5.983 2.741 1.00 29.54 C ATOM 325 CG HIS A 40 -12.625 6.648 3.424 1.00 28.63 C ATOM 326 ND1 HIS A 40 -12.325 7.985 3.250 1.00 27.58 N ATOM 327 CD2 HIS A 40 -11.667 6.147 4.240 1.00 27.21 C ATOM 328 CE1 HIS A 40 -11.237 8.281 3.938 1.00 27.39 C ATOM 329 NE2 HIS A 40 -10.822 7.186 4.553 1.00 27.58 N ATOM 0 H HIS A 40 -15.059 7.988 3.415 1.00 28.31 H new ATOM 0 HA HIS A 40 -15.765 5.499 3.047 1.00 28.17 H new ATOM 0 HB2 HIS A 40 -13.559 5.057 2.567 1.00 29.54 H new ATOM 0 HB3 HIS A 40 -13.927 6.407 1.880 1.00 29.54 H new ATOM 0 HD1 HIS A 40 -12.776 8.538 2.769 1.00 27.58 H new ATOM 0 HD2 HIS A 40 -11.594 5.267 4.533 1.00 27.21 H new ATOM 0 HE1 HIS A 40 -10.832 9.117 3.982 1.00 27.39 H new ATOM 330 N SER A 41 -15.070 6.244 5.921 1.00 28.97 N ATOM 331 CA SER A 41 -15.050 5.784 7.307 1.00 27.74 C ATOM 332 C SER A 41 -16.206 4.808 7.547 1.00 28.22 C ATOM 333 O SER A 41 -16.138 3.976 8.435 1.00 28.57 O ATOM 334 CB SER A 41 -15.095 6.974 8.245 1.00 25.95 C ATOM 335 OG SER A 41 -16.108 6.840 9.174 1.00 28.22 O ATOM 0 H SER A 41 -15.175 7.093 5.834 1.00 28.97 H new ATOM 0 HA SER A 41 -14.225 5.306 7.486 1.00 27.74 H new ATOM 0 HB2 SER A 41 -14.244 7.061 8.702 1.00 25.95 H new ATOM 0 HB3 SER A 41 -15.227 7.787 7.733 1.00 25.95 H new ATOM 0 HG SER A 41 -15.890 7.231 9.885 1.00 28.22 H new ATOM 336 N GLN A 42 -17.260 4.912 6.735 1.00 28.65 N ATOM 337 CA GLN A 42 -18.333 3.931 6.717 1.00 30.04 C ATOM 338 C GLN A 42 -18.985 3.670 8.058 1.00 32.14 C ATOM 339 O GLN A 42 -19.086 2.513 8.503 1.00 33.10 O ATOM 340 CB GLN A 42 -17.822 2.614 6.191 1.00 33.26 C ATOM 341 CG GLN A 42 -18.417 2.163 4.847 1.00 33.11 C ATOM 342 CD GLN A 42 -17.492 1.122 4.219 1.00 33.98 C ATOM 343 OE1 GLN A 42 -17.716 -0.106 4.342 1.00 33.00 O ATOM 344 NE2 GLN A 42 -16.408 1.610 3.589 1.00 31.93 N ATOM 0 H GLN A 42 -17.368 5.559 6.178 1.00 28.65 H new ATOM 0 HA GLN A 42 -19.010 4.320 6.142 1.00 30.04 H new ATOM 0 HB2 GLN A 42 -16.858 2.673 6.097 1.00 33.26 H new ATOM 0 HB3 GLN A 42 -18.001 1.928 6.853 1.00 33.26 H new ATOM 0 HG2 GLN A 42 -19.302 1.788 4.981 1.00 33.11 H new ATOM 0 HG3 GLN A 42 -18.518 2.923 4.253 1.00 33.11 H new ATOM 0 HE21 GLN A 42 -16.293 2.460 3.527 1.00 31.93 H new ATOM 0 HE22 GLN A 42 -15.830 1.072 3.248 1.00 31.93 H new ATOM 345 N PRO A 43 -19.444 4.740 8.712 1.00 33.08 N ATOM 346 CA PRO A 43 -20.113 4.604 9.995 1.00 33.99 C ATOM 347 C PRO A 43 -21.398 3.791 9.893 1.00 32.75 C ATOM 348 O PRO A 43 -22.137 3.932 8.939 1.00 32.92 O ATOM 349 CB PRO A 43 -20.419 6.054 10.365 1.00 35.53 C ATOM 350 CG PRO A 43 -20.515 6.765 9.055 1.00 33.46 C ATOM 351 CD PRO A 43 -19.524 6.110 8.179 1.00 32.27 C ATOM 0 HA PRO A 43 -19.574 4.133 10.649 1.00 33.99 H new ATOM 0 HB2 PRO A 43 -21.247 6.123 10.865 1.00 35.53 H new ATOM 0 HB3 PRO A 43 -19.719 6.431 10.921 1.00 35.53 H new ATOM 0 HG2 PRO A 43 -21.409 6.696 8.684 1.00 33.46 H new ATOM 0 HG3 PRO A 43 -20.322 7.710 9.155 1.00 33.46 H new ATOM 0 HD2 PRO A 43 -19.808 6.116 7.252 1.00 32.27 H new ATOM 0 HD3 PRO A 43 -18.664 6.558 8.215 1.00 32.27 H new ATOM 352 N GLY A 44 -21.648 2.948 10.893 1.00 34.91 N ATOM 353 CA GLY A 44 -22.809 2.042 10.924 1.00 32.34 C ATOM 354 C GLY A 44 -23.903 2.624 11.794 1.00 31.54 C ATOM 355 O GLY A 44 -24.168 3.835 11.748 1.00 31.51 O ATOM 0 H GLY A 44 -21.143 2.881 11.586 1.00 34.91 H new ATOM 0 HA2 GLY A 44 -23.142 1.902 10.024 1.00 32.34 H new ATOM 0 HA3 GLY A 44 -22.542 1.174 11.266 1.00 32.34 H new ATOM 356 N LYS A 45 -24.550 1.768 12.577 1.00 30.25 N ATOM 357 CA LYS A 45 -25.669 2.192 13.402 1.00 29.91 C ATOM 358 C LYS A 45 -25.141 2.697 14.703 1.00 28.58 C ATOM 359 O LYS A 45 -25.804 3.450 15.412 1.00 29.66 O ATOM 360 CB LYS A 45 -26.644 1.047 13.636 1.00 32.36 C ATOM 361 CG LYS A 45 -27.348 0.563 12.366 1.00 34.66 C ATOM 362 CD LYS A 45 -28.342 1.594 11.837 1.00 36.45 C ATOM 363 CE LYS A 45 -29.188 1.025 10.702 1.00 38.74 C ATOM 364 NZ LYS A 45 -28.545 1.107 9.353 1.00 39.47 N ATOM 0 H LYS A 45 -24.354 0.933 12.644 1.00 30.25 H new ATOM 0 HA LYS A 45 -26.152 2.898 12.944 1.00 29.91 H new ATOM 0 HB2 LYS A 45 -26.166 0.303 14.034 1.00 32.36 H new ATOM 0 HB3 LYS A 45 -27.313 1.330 14.278 1.00 32.36 H new ATOM 0 HG2 LYS A 45 -26.686 0.372 11.683 1.00 34.66 H new ATOM 0 HG3 LYS A 45 -27.813 -0.268 12.551 1.00 34.66 H new ATOM 0 HD2 LYS A 45 -28.921 1.887 12.558 1.00 36.45 H new ATOM 0 HD3 LYS A 45 -27.862 2.376 11.523 1.00 36.45 H new ATOM 0 HE2 LYS A 45 -29.389 0.096 10.897 1.00 38.74 H new ATOM 0 HE3 LYS A 45 -30.034 1.499 10.675 1.00 38.74 H new ATOM 0 HZ1 LYS A 45 -29.091 0.759 8.742 1.00 39.47 H new ATOM 0 HZ2 LYS A 45 -28.381 1.959 9.153 1.00 39.47 H new ATOM 0 HZ3 LYS A 45 -27.780 0.652 9.360 1.00 39.47 H new ATOM 365 N THR A 46 -23.921 2.304 15.012 1.00 29.54 N ATOM 366 CA THR A 46 -23.237 2.789 16.220 1.00 29.42 C ATOM 367 C THR A 46 -21.803 3.187 15.896 1.00 28.01 C ATOM 368 O THR A 46 -21.231 2.747 14.879 1.00 28.98 O ATOM 369 CB THR A 46 -23.196 1.705 17.306 1.00 29.17 C ATOM 370 OG1 THR A 46 -22.911 0.430 16.693 1.00 27.25 O ATOM 371 CG2 THR A 46 -24.542 1.676 18.086 1.00 29.18 C ATOM 0 H THR A 46 -23.460 1.753 14.539 1.00 29.54 H new ATOM 0 HA THR A 46 -23.735 3.556 16.543 1.00 29.42 H new ATOM 0 HB THR A 46 -22.493 1.903 17.945 1.00 29.17 H new ATOM 0 HG1 THR A 46 -22.886 -0.166 17.284 1.00 27.25 H new ATOM 0 HG21 THR A 46 -24.506 0.988 18.769 1.00 29.18 H new ATOM 0 HG22 THR A 46 -24.693 2.538 18.504 1.00 29.18 H new ATOM 0 HG23 THR A 46 -25.268 1.483 17.472 1.00 29.18 H new ATOM 372 N ILE A 47 -21.237 4.031 16.749 1.00 25.35 N ATOM 373 CA ILE A 47 -19.858 4.409 16.606 1.00 23.70 C ATOM 374 C ILE A 47 -19.207 4.548 17.969 1.00 24.63 C ATOM 375 O ILE A 47 -19.770 5.128 18.885 1.00 24.73 O ATOM 376 CB ILE A 47 -19.707 5.692 15.783 1.00 23.17 C ATOM 377 CG1 ILE A 47 -18.230 5.858 15.353 1.00 23.62 C ATOM 378 CG2 ILE A 47 -20.244 6.881 16.552 1.00 22.64 C ATOM 379 CD1 ILE A 47 -18.010 6.739 14.141 1.00 23.13 C ATOM 0 H ILE A 47 -21.643 4.392 17.416 1.00 25.35 H new ATOM 0 HA ILE A 47 -19.402 3.705 16.119 1.00 23.70 H new ATOM 0 HB ILE A 47 -20.237 5.634 14.972 1.00 23.17 H new ATOM 0 HG12 ILE A 47 -17.730 6.226 16.098 1.00 23.62 H new ATOM 0 HG13 ILE A 47 -17.860 4.980 15.169 1.00 23.62 H new ATOM 0 HG21 ILE A 47 -20.141 7.685 16.019 1.00 22.64 H new ATOM 0 HG22 ILE A 47 -21.184 6.742 16.749 1.00 22.64 H new ATOM 0 HG23 ILE A 47 -19.751 6.979 17.382 1.00 22.64 H new ATOM 0 HD11 ILE A 47 -17.062 6.787 13.943 1.00 23.13 H new ATOM 0 HD12 ILE A 47 -18.480 6.365 13.379 1.00 23.13 H new ATOM 0 HD13 ILE A 47 -18.347 7.630 14.323 1.00 23.13 H new ATOM 380 N TRP A 48 -18.016 3.980 18.100 1.00 26.65 N ATOM 381 CA TRP A 48 -17.203 4.167 19.286 1.00 25.93 C ATOM 382 C TRP A 48 -16.701 5.589 19.362 1.00 24.75 C ATOM 383 O TRP A 48 -16.008 6.050 18.460 1.00 27.07 O ATOM 384 CB TRP A 48 -16.004 3.226 19.249 1.00 25.45 C ATOM 385 CG TRP A 48 -15.260 3.265 20.543 1.00 25.01 C ATOM 386 CD1 TRP A 48 -14.054 3.847 20.772 1.00 25.27 C ATOM 387 CD2 TRP A 48 -15.688 2.721 21.808 1.00 26.21 C ATOM 388 NE1 TRP A 48 -13.678 3.685 22.090 1.00 25.38 N ATOM 389 CE2 TRP A 48 -14.657 2.992 22.748 1.00 27.27 C ATOM 390 CE3 TRP A 48 -16.834 2.007 22.238 1.00 26.85 C ATOM 391 CZ2 TRP A 48 -14.739 2.594 24.096 1.00 28.69 C ATOM 392 CZ3 TRP A 48 -16.920 1.606 23.568 1.00 26.48 C ATOM 393 CH2 TRP A 48 -15.878 1.900 24.481 1.00 29.74 C ATOM 0 H TRP A 48 -17.658 3.476 17.502 1.00 26.65 H new ATOM 0 HA TRP A 48 -17.751 3.975 20.063 1.00 25.93 H new ATOM 0 HB2 TRP A 48 -16.303 2.321 19.070 1.00 25.45 H new ATOM 0 HB3 TRP A 48 -15.412 3.478 18.523 1.00 25.45 H new ATOM 0 HD1 TRP A 48 -13.551 4.293 20.129 1.00 25.27 H new ATOM 0 HE1 TRP A 48 -12.947 3.973 22.441 1.00 25.38 H new ATOM 0 HE3 TRP A 48 -17.519 1.809 21.640 1.00 26.85 H new ATOM 0 HZ2 TRP A 48 -14.060 2.787 24.702 1.00 28.69 H new ATOM 0 HZ3 TRP A 48 -17.670 1.140 23.860 1.00 26.48 H new ATOM 0 HH2 TRP A 48 -15.959 1.620 25.364 1.00 29.74 H new ATOM 394 N ILE A 49 -17.050 6.297 20.418 1.00 23.77 N ATOM 395 CA ILE A 49 -16.515 7.638 20.612 1.00 23.65 C ATOM 396 C ILE A 49 -15.794 7.711 21.944 1.00 24.25 C ATOM 397 O ILE A 49 -16.399 7.999 22.992 1.00 22.35 O ATOM 398 CB ILE A 49 -17.603 8.705 20.544 1.00 24.22 C ATOM 399 CG1 ILE A 49 -18.066 8.895 19.110 1.00 24.09 C ATOM 400 CG2 ILE A 49 -17.103 10.034 21.107 1.00 26.08 C ATOM 401 CD1 ILE A 49 -19.544 9.213 19.009 1.00 23.73 C ATOM 0 H ILE A 49 -17.589 6.028 21.031 1.00 23.77 H new ATOM 0 HA ILE A 49 -15.892 7.816 19.890 1.00 23.65 H new ATOM 0 HB ILE A 49 -18.351 8.404 21.084 1.00 24.22 H new ATOM 0 HG12 ILE A 49 -17.556 9.612 18.702 1.00 24.09 H new ATOM 0 HG13 ILE A 49 -17.877 8.089 18.604 1.00 24.09 H new ATOM 0 HG21 ILE A 49 -17.811 10.695 21.053 1.00 26.08 H new ATOM 0 HG22 ILE A 49 -16.842 9.915 22.034 1.00 26.08 H new ATOM 0 HG23 ILE A 49 -16.339 10.337 20.592 1.00 26.08 H new ATOM 0 HD11 ILE A 49 -19.788 9.325 18.077 1.00 23.73 H new ATOM 0 HD12 ILE A 49 -20.059 8.486 19.393 1.00 23.73 H new ATOM 0 HD13 ILE A 49 -19.733 10.032 19.493 1.00 23.73 H new ATOM 402 N GLU A 50 -14.500 7.404 21.868 1.00 26.80 N ATOM 403 CA GLU A 50 -13.545 7.564 22.954 1.00 29.00 C ATOM 404 C GLU A 50 -13.689 6.589 24.104 1.00 29.95 C ATOM 405 O GLU A 50 -12.831 5.776 24.339 1.00 29.95 O ATOM 406 CB GLU A 50 -13.572 9.005 23.446 1.00 30.88 C ATOM 407 CG GLU A 50 -12.274 9.760 23.157 1.00 35.47 C ATOM 408 CD GLU A 50 -12.510 11.236 22.959 1.00 36.67 C ATOM 409 OE1 GLU A 50 -13.514 11.750 23.473 1.00 40.85 O ATOM 410 OE2 GLU A 50 -11.708 11.880 22.271 1.00 37.96 O ATOM 0 H GLU A 50 -14.144 7.085 21.153 1.00 26.80 H new ATOM 0 HA GLU A 50 -12.679 7.347 22.576 1.00 29.00 H new ATOM 0 HB2 GLU A 50 -14.312 9.471 23.026 1.00 30.88 H new ATOM 0 HB3 GLU A 50 -13.738 9.012 24.402 1.00 30.88 H new ATOM 0 HG2 GLU A 50 -11.654 9.628 23.891 1.00 35.47 H new ATOM 0 HG3 GLU A 50 -11.856 9.391 22.363 1.00 35.47 H new ATOM 411 N HIS A 51 -14.775 6.686 24.839 1.00 36.35 N ATOM 412 CA HIS A 51 -14.979 5.829 26.014 1.00 37.81 C ATOM 413 C HIS A 51 -16.276 5.037 25.940 1.00 33.03 C ATOM 414 O HIS A 51 -16.504 4.159 26.765 1.00 33.58 O ATOM 415 CB HIS A 51 -14.940 6.668 27.294 1.00 42.20 C ATOM 416 CG HIS A 51 -15.938 7.790 27.312 1.00 50.87 C ATOM 417 ND1 HIS A 51 -15.689 9.020 26.732 1.00 53.65 N ATOM 418 CD2 HIS A 51 -17.188 7.868 27.840 1.00 54.76 C ATOM 419 CE1 HIS A 51 -16.740 9.805 26.906 1.00 56.23 C ATOM 420 NE2 HIS A 51 -17.663 9.130 27.572 1.00 56.48 N ATOM 0 H HIS A 51 -15.415 7.239 24.684 1.00 36.35 H new ATOM 0 HA HIS A 51 -14.254 5.185 26.027 1.00 37.81 H new ATOM 0 HB2 HIS A 51 -15.102 6.089 28.055 1.00 42.20 H new ATOM 0 HB3 HIS A 51 -14.049 7.036 27.403 1.00 42.20 H new ATOM 0 HD1 HIS A 51 -14.965 9.240 26.323 1.00 53.65 H new ATOM 0 HD2 HIS A 51 -17.638 7.194 28.297 1.00 54.76 H new ATOM 0 HE1 HIS A 51 -16.817 10.683 26.610 1.00 56.23 H new ATOM 421 N LYS A 52 -17.126 5.347 24.965 1.00 29.86 N ATOM 422 CA LYS A 52 -18.384 4.656 24.844 1.00 29.33 C ATOM 423 C LYS A 52 -18.876 4.540 23.423 1.00 26.47 C ATOM 424 O LYS A 52 -18.500 5.311 22.564 1.00 27.91 O ATOM 425 CB LYS A 52 -19.437 5.324 25.706 1.00 32.04 C ATOM 426 CG LYS A 52 -19.961 6.617 25.144 1.00 36.82 C ATOM 427 CD LYS A 52 -20.824 7.332 26.171 1.00 40.17 C ATOM 428 CE LYS A 52 -20.721 8.840 25.972 1.00 46.62 C ATOM 429 NZ LYS A 52 -20.964 9.580 27.247 1.00 50.51 N ATOM 0 H LYS A 52 -16.986 5.953 24.371 1.00 29.86 H new ATOM 0 HA LYS A 52 -18.226 3.751 25.155 1.00 29.33 H new ATOM 0 HB2 LYS A 52 -20.179 4.711 25.827 1.00 32.04 H new ATOM 0 HB3 LYS A 52 -19.062 5.493 26.585 1.00 32.04 H new ATOM 0 HG2 LYS A 52 -19.220 7.186 24.883 1.00 36.82 H new ATOM 0 HG3 LYS A 52 -20.480 6.441 24.343 1.00 36.82 H new ATOM 0 HD2 LYS A 52 -21.747 7.048 26.084 1.00 40.17 H new ATOM 0 HD3 LYS A 52 -20.538 7.095 27.067 1.00 40.17 H new ATOM 0 HE2 LYS A 52 -19.841 9.063 25.630 1.00 46.62 H new ATOM 0 HE3 LYS A 52 -21.365 9.124 25.304 1.00 46.62 H new ATOM 0 HZ1 LYS A 52 -21.363 10.356 27.069 1.00 50.51 H new ATOM 0 HZ2 LYS A 52 -21.487 9.093 27.778 1.00 50.51 H new ATOM 0 HZ3 LYS A 52 -20.188 9.733 27.655 1.00 50.51 H new ATOM 430 N LEU A 53 -19.743 3.556 23.194 1.00 23.81 N ATOM 431 CA LEU A 53 -20.417 3.347 21.909 1.00 21.50 C ATOM 432 C LEU A 53 -21.654 4.250 21.814 1.00 19.99 C ATOM 433 O LEU A 53 -22.534 4.249 22.675 1.00 17.60 O ATOM 434 CB LEU A 53 -20.799 1.883 21.781 1.00 22.47 C ATOM 435 CG LEU A 53 -21.352 1.338 20.473 1.00 24.85 C ATOM 436 CD1 LEU A 53 -20.216 1.017 19.529 1.00 26.52 C ATOM 437 CD2 LEU A 53 -22.182 0.097 20.739 1.00 25.63 C ATOM 0 H LEU A 53 -19.962 2.978 23.792 1.00 23.81 H new ATOM 0 HA LEU A 53 -19.820 3.580 21.180 1.00 21.50 H new ATOM 0 HB2 LEU A 53 -20.010 1.362 21.997 1.00 22.47 H new ATOM 0 HB3 LEU A 53 -21.458 1.698 22.469 1.00 22.47 H new ATOM 0 HG LEU A 53 -21.919 2.010 20.063 1.00 24.85 H new ATOM 0 HD11 LEU A 53 -20.574 0.670 18.697 1.00 26.52 H new ATOM 0 HD12 LEU A 53 -19.706 1.823 19.350 1.00 26.52 H new ATOM 0 HD13 LEU A 53 -19.637 0.352 19.933 1.00 26.52 H new ATOM 0 HD21 LEU A 53 -22.531 -0.245 19.901 1.00 25.63 H new ATOM 0 HD22 LEU A 53 -21.627 -0.580 21.158 1.00 25.63 H new ATOM 0 HD23 LEU A 53 -22.919 0.321 21.329 1.00 25.63 H new ATOM 438 N VAL A 54 -21.701 5.052 20.769 1.00 19.29 N ATOM 439 CA VAL A 54 -22.730 6.068 20.656 1.00 20.24 C ATOM 440 C VAL A 54 -23.636 5.725 19.502 1.00 21.35 C ATOM 441 O VAL A 54 -23.188 5.363 18.414 1.00 21.63 O ATOM 442 CB VAL A 54 -22.134 7.480 20.446 1.00 19.92 C ATOM 443 CG1 VAL A 54 -23.224 8.513 20.257 1.00 18.95 C ATOM 444 CG2 VAL A 54 -21.231 7.852 21.630 1.00 19.70 C ATOM 0 H VAL A 54 -21.146 5.026 20.112 1.00 19.29 H new ATOM 0 HA VAL A 54 -23.228 6.084 21.488 1.00 20.24 H new ATOM 0 HB VAL A 54 -21.599 7.467 19.637 1.00 19.92 H new ATOM 0 HG11 VAL A 54 -22.823 9.387 20.128 1.00 18.95 H new ATOM 0 HG12 VAL A 54 -23.756 8.284 19.479 1.00 18.95 H new ATOM 0 HG13 VAL A 54 -23.792 8.532 21.043 1.00 18.95 H new ATOM 0 HG21 VAL A 54 -20.862 8.738 21.490 1.00 19.70 H new ATOM 0 HG22 VAL A 54 -21.751 7.845 22.449 1.00 19.70 H new ATOM 0 HG23 VAL A 54 -20.508 7.209 21.701 1.00 19.70 H new ATOM 445 N ASN A 55 -24.926 5.826 19.756 1.00 22.71 N ATOM 446 CA ASN A 55 -25.898 5.564 18.724 1.00 25.92 C ATOM 447 C ASN A 55 -25.863 6.636 17.633 1.00 23.23 C ATOM 448 O ASN A 55 -25.792 7.797 17.929 1.00 22.17 O ATOM 449 CB ASN A 55 -27.292 5.558 19.370 1.00 31.79 C ATOM 450 CG ASN A 55 -28.103 4.380 18.960 1.00 35.01 C ATOM 451 OD1 ASN A 55 -29.246 4.502 18.472 1.00 34.74 O ATOM 452 ND2 ASN A 55 -27.489 3.205 19.135 1.00 37.36 N ATOM 0 H ASN A 55 -25.257 6.045 20.519 1.00 22.71 H new ATOM 0 HA ASN A 55 -25.694 4.710 18.312 1.00 25.92 H new ATOM 0 HB2 ASN A 55 -27.198 5.562 20.335 1.00 31.79 H new ATOM 0 HB3 ASN A 55 -27.762 6.371 19.127 1.00 31.79 H new ATOM 0 HD21 ASN A 55 -27.883 2.476 18.906 1.00 37.36 H new ATOM 0 HD22 ASN A 55 -26.700 3.179 19.476 1.00 37.36 H new ATOM 453 N ILE A 56 -25.950 6.233 16.385 1.00 23.27 N ATOM 454 CA ILE A 56 -26.077 7.200 15.315 1.00 25.53 C ATOM 455 C ILE A 56 -27.514 7.174 14.810 1.00 27.10 C ATOM 456 O ILE A 56 -28.031 6.122 14.435 1.00 29.68 O ATOM 457 CB ILE A 56 -25.120 6.907 14.149 1.00 25.70 C ATOM 458 CG1 ILE A 56 -23.672 7.163 14.583 1.00 25.96 C ATOM 459 CG2 ILE A 56 -25.456 7.782 12.947 1.00 24.89 C ATOM 460 CD1 ILE A 56 -22.653 6.671 13.585 1.00 25.85 C ATOM 0 H ILE A 56 -25.938 5.411 16.134 1.00 23.27 H new ATOM 0 HA ILE A 56 -25.845 8.074 15.666 1.00 25.53 H new ATOM 0 HB ILE A 56 -25.221 5.976 13.896 1.00 25.70 H new ATOM 0 HG12 ILE A 56 -23.546 8.115 14.722 1.00 25.96 H new ATOM 0 HG13 ILE A 56 -23.515 6.729 15.436 1.00 25.96 H new ATOM 0 HG21 ILE A 56 -24.843 7.584 12.221 1.00 24.89 H new ATOM 0 HG22 ILE A 56 -26.365 7.603 12.660 1.00 24.89 H new ATOM 0 HG23 ILE A 56 -25.374 8.716 13.194 1.00 24.89 H new ATOM 0 HD11 ILE A 56 -21.760 6.860 13.914 1.00 25.85 H new ATOM 0 HD12 ILE A 56 -22.756 5.714 13.462 1.00 25.85 H new ATOM 0 HD13 ILE A 56 -22.787 7.122 12.737 1.00 25.85 H new ATOM 461 N LEU A 57 -28.163 8.331 14.811 1.00 26.81 N ATOM 462 CA LEU A 57 -29.559 8.404 14.400 1.00 27.39 C ATOM 463 C LEU A 57 -29.722 8.525 12.863 1.00 30.08 C ATOM 464 O LEU A 57 -30.650 7.983 12.291 1.00 29.99 O ATOM 465 CB LEU A 57 -30.241 9.563 15.122 1.00 24.98 C ATOM 466 CG LEU A 57 -30.238 9.433 16.652 1.00 23.48 C ATOM 467 CD1 LEU A 57 -30.658 10.748 17.340 1.00 21.82 C ATOM 468 CD2 LEU A 57 -31.109 8.256 17.113 1.00 22.92 C ATOM 0 H LEU A 57 -27.816 9.082 15.045 1.00 26.81 H new ATOM 0 HA LEU A 57 -29.989 7.571 14.650 1.00 27.39 H new ATOM 0 HB2 LEU A 57 -29.799 10.391 14.876 1.00 24.98 H new ATOM 0 HB3 LEU A 57 -31.158 9.629 14.814 1.00 24.98 H new ATOM 0 HG LEU A 57 -29.325 9.248 16.923 1.00 23.48 H new ATOM 0 HD11 LEU A 57 -30.645 10.628 18.303 1.00 21.82 H new ATOM 0 HD12 LEU A 57 -30.040 11.454 17.094 1.00 21.82 H new ATOM 0 HD13 LEU A 57 -31.554 10.990 17.057 1.00 21.82 H new ATOM 0 HD21 LEU A 57 -31.089 8.198 18.081 1.00 22.92 H new ATOM 0 HD22 LEU A 57 -32.022 8.394 16.817 1.00 22.92 H new ATOM 0 HD23 LEU A 57 -30.767 7.432 16.733 1.00 22.92 H new ATOM 469 N ASP A 58 -28.801 9.224 12.217 1.00 32.66 N ATOM 470 CA ASP A 58 -28.949 9.592 10.832 1.00 35.97 C ATOM 471 C ASP A 58 -27.574 9.771 10.216 1.00 34.74 C ATOM 472 O ASP A 58 -26.644 10.243 10.873 1.00 35.47 O ATOM 473 CB ASP A 58 -29.721 10.912 10.753 1.00 40.84 C ATOM 474 CG ASP A 58 -30.506 11.041 9.472 1.00 47.43 C ATOM 475 OD1 ASP A 58 -31.326 10.137 9.206 1.00 56.83 O ATOM 476 OD2 ASP A 58 -30.332 12.040 8.735 1.00 49.00 O ATOM 0 H ASP A 58 -28.070 9.497 12.578 1.00 32.66 H new ATOM 0 HA ASP A 58 -29.431 8.901 10.351 1.00 35.97 H new ATOM 0 HB2 ASP A 58 -30.326 10.976 11.508 1.00 40.84 H new ATOM 0 HB3 ASP A 58 -29.099 11.653 10.824 1.00 40.84 H new ATOM 477 N ALA A 59 -27.429 9.380 8.960 1.00 33.22 N ATOM 478 CA ALA A 59 -26.119 9.452 8.304 1.00 33.08 C ATOM 479 C ALA A 59 -26.302 9.888 6.862 1.00 33.20 C ATOM 480 O ALA A 59 -26.964 9.231 6.097 1.00 32.56 O ATOM 481 CB ALA A 59 -25.370 8.126 8.391 1.00 31.24 C ATOM 0 H ALA A 59 -28.064 9.072 8.469 1.00 33.22 H new ATOM 0 HA ALA A 59 -25.576 10.108 8.768 1.00 33.08 H new ATOM 0 HB1 ALA A 59 -24.511 8.210 7.948 1.00 31.24 H new ATOM 0 HB2 ALA A 59 -25.232 7.893 9.322 1.00 31.24 H new ATOM 0 HB3 ALA A 59 -25.890 7.431 7.958 1.00 31.24 H new ATOM 482 N VAL A 60 -25.719 11.028 6.514 1.00 35.84 N ATOM 483 CA VAL A 60 -26.008 11.674 5.255 1.00 36.36 C ATOM 484 C VAL A 60 -24.712 11.912 4.499 1.00 42.56 C ATOM 485 O VAL A 60 -23.883 12.749 4.902 1.00 38.76 O ATOM 486 CB VAL A 60 -26.715 13.011 5.462 1.00 33.21 C ATOM 487 CG1 VAL A 60 -26.824 13.770 4.146 1.00 33.94 C ATOM 488 CG2 VAL A 60 -28.070 12.779 6.079 1.00 32.81 C ATOM 0 H VAL A 60 -25.147 11.444 7.003 1.00 35.84 H new ATOM 0 HA VAL A 60 -26.595 11.092 4.748 1.00 36.36 H new ATOM 0 HB VAL A 60 -26.193 13.558 6.069 1.00 33.21 H new ATOM 0 HG11 VAL A 60 -27.275 14.615 4.296 1.00 33.94 H new ATOM 0 HG12 VAL A 60 -25.936 13.936 3.793 1.00 33.94 H new ATOM 0 HG13 VAL A 60 -27.331 13.242 3.509 1.00 33.94 H new ATOM 0 HG21 VAL A 60 -28.517 13.630 6.209 1.00 32.81 H new ATOM 0 HG22 VAL A 60 -28.603 12.222 5.490 1.00 32.81 H new ATOM 0 HG23 VAL A 60 -27.964 12.336 6.935 1.00 32.81 H new ATOM 489 N GLU A 61 -24.580 11.171 3.389 1.00 47.69 N ATOM 490 CA GLU A 61 -23.371 11.194 2.542 1.00 46.99 C ATOM 491 C GLU A 61 -23.552 12.297 1.507 1.00 46.99 C ATOM 492 O GLU A 61 -24.575 12.322 0.815 1.00 54.90 O ATOM 493 CB GLU A 61 -23.153 9.832 1.867 1.00 43.84 C ATOM 494 CG GLU A 61 -23.641 8.631 2.680 1.00 41.32 C ATOM 495 CD GLU A 61 -22.785 7.395 2.428 1.00 42.90 C ATOM 496 OE1 GLU A 61 -22.496 7.085 1.228 1.00 44.46 O ATOM 497 OE2 GLU A 61 -22.378 6.744 3.421 1.00 36.02 O ATOM 0 H GLU A 61 -25.192 10.638 3.104 1.00 47.69 H new ATOM 0 HA GLU A 61 -22.584 11.370 3.081 1.00 46.99 H new ATOM 0 HB2 GLU A 61 -23.607 9.833 1.010 1.00 43.84 H new ATOM 0 HB3 GLU A 61 -22.206 9.722 1.686 1.00 43.84 H new ATOM 0 HG2 GLU A 61 -23.623 8.850 3.625 1.00 41.32 H new ATOM 0 HG3 GLU A 61 -24.564 8.438 2.451 1.00 41.32 H new ATOM 498 N LEU A 62 -22.591 13.215 1.399 1.00 44.55 N ATOM 499 CA LEU A 62 -22.815 14.456 0.635 1.00 41.12 C ATOM 500 C LEU A 62 -22.339 14.393 -0.802 1.00 41.40 C ATOM 501 O LEU A 62 -21.210 13.971 -1.093 1.00 40.46 O ATOM 502 CB LEU A 62 -22.158 15.670 1.312 1.00 40.16 C ATOM 503 CG LEU A 62 -22.714 16.126 2.648 1.00 40.56 C ATOM 504 CD1 LEU A 62 -22.022 17.417 3.030 1.00 41.64 C ATOM 505 CD2 LEU A 62 -24.219 16.325 2.564 1.00 42.54 C ATOM 0 H LEU A 62 -21.811 13.145 1.753 1.00 44.55 H new ATOM 0 HA LEU A 62 -23.780 14.557 0.624 1.00 41.12 H new ATOM 0 HB2 LEU A 62 -21.217 15.469 1.434 1.00 40.16 H new ATOM 0 HB3 LEU A 62 -22.211 16.418 0.697 1.00 40.16 H new ATOM 0 HG LEU A 62 -22.550 15.450 3.324 1.00 40.56 H new ATOM 0 HD11 LEU A 62 -22.363 17.727 3.883 1.00 41.64 H new ATOM 0 HD12 LEU A 62 -21.067 17.264 3.101 1.00 41.64 H new ATOM 0 HD13 LEU A 62 -22.192 18.089 2.351 1.00 41.64 H new ATOM 0 HD21 LEU A 62 -24.556 16.616 3.426 1.00 42.54 H new ATOM 0 HD22 LEU A 62 -24.420 16.998 1.895 1.00 42.54 H new ATOM 0 HD23 LEU A 62 -24.643 15.488 2.317 1.00 42.54 H new ATOM 506 N VAL A 63 -23.199 14.892 -1.691 1.00 42.45 N ATOM 507 CA VAL A 63 -22.927 14.888 -3.123 1.00 43.49 C ATOM 508 C VAL A 63 -23.056 16.288 -3.674 1.00 44.91 C ATOM 509 O VAL A 63 -23.860 17.073 -3.178 1.00 48.76 O ATOM 510 CB VAL A 63 -23.918 13.970 -3.868 1.00 43.26 C ATOM 511 CG1 VAL A 63 -23.655 12.510 -3.537 1.00 41.68 C ATOM 512 CG2 VAL A 63 -25.362 14.352 -3.534 1.00 41.34 C ATOM 0 H VAL A 63 -23.955 15.242 -1.478 1.00 42.45 H new ATOM 0 HA VAL A 63 -22.025 14.558 -3.256 1.00 43.49 H new ATOM 0 HB VAL A 63 -23.785 14.090 -4.821 1.00 43.26 H new ATOM 0 HG11 VAL A 63 -24.287 11.951 -4.015 1.00 41.68 H new ATOM 0 HG12 VAL A 63 -22.752 12.275 -3.802 1.00 41.68 H new ATOM 0 HG13 VAL A 63 -23.757 12.371 -2.583 1.00 41.68 H new ATOM 0 HG21 VAL A 63 -25.970 13.766 -4.010 1.00 41.34 H new ATOM 0 HG22 VAL A 63 -25.508 14.262 -2.579 1.00 41.34 H new ATOM 0 HG23 VAL A 63 -25.524 15.271 -3.801 1.00 41.34 H new ATOM 513 N ASP A 64 -22.261 16.602 -4.694 1.00 47.99 N ATOM 514 CA ASP A 64 -22.348 17.914 -5.362 1.00 52.35 C ATOM 515 C ASP A 64 -23.464 17.970 -6.418 1.00 56.54 C ATOM 516 O ASP A 64 -24.075 16.950 -6.737 1.00 58.87 O ATOM 517 CB ASP A 64 -20.988 18.348 -5.934 1.00 51.86 C ATOM 518 CG ASP A 64 -20.652 17.673 -7.232 1.00 50.95 C ATOM 519 OD1 ASP A 64 -21.427 16.799 -7.659 1.00 49.98 O ATOM 520 OD2 ASP A 64 -19.614 18.036 -7.822 1.00 49.58 O ATOM 0 H ASP A 64 -21.664 16.075 -5.019 1.00 47.99 H new ATOM 0 HA ASP A 64 -22.593 18.558 -4.679 1.00 52.35 H new ATOM 0 HB2 ASP A 64 -20.991 19.309 -6.067 1.00 51.86 H new ATOM 0 HB3 ASP A 64 -20.294 18.153 -5.285 1.00 51.86 H new ATOM 521 N GLU A 65 -23.729 19.174 -6.932 1.00 61.15 N ATOM 522 CA GLU A 65 -24.916 19.435 -7.759 1.00 63.83 C ATOM 523 C GLU A 65 -25.101 18.422 -8.869 1.00 62.82 C ATOM 524 O GLU A 65 -26.230 18.147 -9.277 1.00 59.06 O ATOM 525 CB GLU A 65 -24.876 20.849 -8.386 1.00 67.04 C ATOM 526 CG GLU A 65 -25.733 21.895 -7.694 1.00 70.25 C ATOM 527 CD GLU A 65 -27.222 21.554 -7.597 1.00 80.11 C ATOM 528 OE1 GLU A 65 -27.679 20.476 -8.073 1.00 89.73 O ATOM 529 OE2 GLU A 65 -27.953 22.405 -7.022 1.00 79.09 O ATOM 0 H GLU A 65 -23.228 19.862 -6.812 1.00 61.15 H new ATOM 0 HA GLU A 65 -25.668 19.364 -7.150 1.00 63.83 H new ATOM 0 HB2 GLU A 65 -23.957 21.158 -8.390 1.00 67.04 H new ATOM 0 HB3 GLU A 65 -25.158 20.783 -9.312 1.00 67.04 H new ATOM 0 HG2 GLU A 65 -25.388 22.034 -6.798 1.00 70.25 H new ATOM 0 HG3 GLU A 65 -25.638 22.736 -8.168 1.00 70.25 H new ATOM 530 N GLN A 66 -23.976 17.872 -9.324 1.00 62.07 N ATOM 531 CA GLN A 66 -23.931 16.899 -10.400 1.00 63.19 C ATOM 532 C GLN A 66 -23.971 15.492 -9.817 1.00 58.32 C ATOM 533 O GLN A 66 -23.498 14.528 -10.441 1.00 57.68 O ATOM 534 CB GLN A 66 -22.627 17.030 -11.197 1.00 68.61 C ATOM 535 CG GLN A 66 -21.986 18.406 -11.214 1.00 72.77 C ATOM 536 CD GLN A 66 -20.500 18.361 -11.573 1.00 73.32 C ATOM 537 OE1 GLN A 66 -19.968 17.346 -12.057 1.00 62.91 O ATOM 538 NE2 GLN A 66 -19.818 19.479 -11.333 1.00 76.87 N ATOM 0 H GLN A 66 -23.201 18.063 -9.004 1.00 62.07 H new ATOM 0 HA GLN A 66 -24.692 17.060 -10.980 1.00 63.19 H new ATOM 0 HB2 GLN A 66 -21.985 16.399 -10.836 1.00 68.61 H new ATOM 0 HB3 GLN A 66 -22.802 16.764 -12.113 1.00 68.61 H new ATOM 0 HG2 GLN A 66 -22.452 18.968 -11.853 1.00 72.77 H new ATOM 0 HG3 GLN A 66 -22.092 18.819 -10.343 1.00 72.77 H new ATOM 0 HE21 GLN A 66 -20.217 20.163 -10.997 1.00 76.87 H new ATOM 0 HE22 GLN A 66 -18.978 19.517 -11.514 1.00 76.87 H new ATOM 539 N GLY A 67 -24.481 15.379 -8.598 1.00 55.66 N ATOM 540 CA GLY A 67 -24.558 14.085 -7.910 1.00 50.42 C ATOM 541 C GLY A 67 -23.269 13.366 -7.551 1.00 46.73 C ATOM 542 O GLY A 67 -23.318 12.169 -7.239 1.00 44.37 O ATOM 0 H GLY A 67 -24.791 16.041 -8.145 1.00 55.66 H new ATOM 0 HA2 GLY A 67 -25.057 14.219 -7.089 1.00 50.42 H new ATOM 0 HA3 GLY A 67 -25.082 13.488 -8.467 1.00 50.42 H new ATOM 543 N VAL A 68 -22.135 14.081 -7.565 1.00 43.17 N ATOM 544 CA VAL A 68 -20.799 13.493 -7.281 1.00 40.85 C ATOM 545 C VAL A 68 -20.369 13.572 -5.797 1.00 40.62 C ATOM 546 O VAL A 68 -20.823 14.429 -5.037 1.00 43.60 O ATOM 547 CB VAL A 68 -19.706 14.089 -8.209 1.00 41.25 C ATOM 548 CG1 VAL A 68 -18.287 13.699 -7.793 1.00 42.24 C ATOM 549 CG2 VAL A 68 -19.934 13.596 -9.630 1.00 43.02 C ATOM 0 H VAL A 68 -22.112 14.923 -7.739 1.00 43.17 H new ATOM 0 HA VAL A 68 -20.894 12.547 -7.475 1.00 40.85 H new ATOM 0 HB VAL A 68 -19.780 15.054 -8.144 1.00 41.25 H new ATOM 0 HG11 VAL A 68 -17.649 14.098 -8.405 1.00 42.24 H new ATOM 0 HG12 VAL A 68 -18.114 14.018 -6.893 1.00 42.24 H new ATOM 0 HG13 VAL A 68 -18.197 12.733 -7.816 1.00 42.24 H new ATOM 0 HG21 VAL A 68 -19.253 13.966 -10.214 1.00 43.02 H new ATOM 0 HG22 VAL A 68 -19.884 12.627 -9.649 1.00 43.02 H new ATOM 0 HG23 VAL A 68 -20.810 13.880 -9.935 1.00 43.02 H new ATOM 550 N ASN A 69 -19.505 12.635 -5.414 1.00 36.99 N ATOM 551 CA ASN A 69 -18.985 12.482 -4.056 1.00 35.36 C ATOM 552 C ASN A 69 -18.253 13.703 -3.509 1.00 34.90 C ATOM 553 O ASN A 69 -17.432 14.308 -4.191 1.00 33.12 O ATOM 554 CB ASN A 69 -18.035 11.278 -4.019 1.00 36.52 C ATOM 555 CG ASN A 69 -17.537 10.946 -2.625 1.00 37.44 C ATOM 556 OD1 ASN A 69 -18.319 10.898 -1.660 1.00 39.64 O ATOM 557 ND2 ASN A 69 -16.229 10.685 -2.512 1.00 34.82 N ATOM 0 H ASN A 69 -19.193 12.048 -5.959 1.00 36.99 H new ATOM 0 HA ASN A 69 -19.760 12.356 -3.487 1.00 35.36 H new ATOM 0 HB2 ASN A 69 -18.490 10.504 -4.385 1.00 36.52 H new ATOM 0 HB3 ASN A 69 -17.274 11.457 -4.593 1.00 36.52 H new ATOM 0 HD21 ASN A 69 -15.897 10.473 -1.747 1.00 34.82 H new ATOM 0 HD22 ASN A 69 -15.720 10.729 -3.204 1.00 34.82 H new ATOM 558 N LEU A 70 -18.587 14.072 -2.271 1.00 34.02 N ATOM 559 CA LEU A 70 -17.846 15.093 -1.525 1.00 30.32 C ATOM 560 C LEU A 70 -16.969 14.480 -0.441 1.00 28.98 C ATOM 561 O LEU A 70 -16.098 15.148 0.091 1.00 31.54 O ATOM 562 CB LEU A 70 -18.806 16.102 -0.917 1.00 30.19 C ATOM 563 CG LEU A 70 -19.643 16.930 -1.882 1.00 30.12 C ATOM 564 CD1 LEU A 70 -20.443 17.977 -1.139 1.00 29.21 C ATOM 565 CD2 LEU A 70 -18.762 17.579 -2.917 1.00 32.20 C ATOM 0 H LEU A 70 -19.251 13.737 -1.839 1.00 34.02 H new ATOM 0 HA LEU A 70 -17.261 15.546 -2.153 1.00 30.32 H new ATOM 0 HB2 LEU A 70 -19.410 15.625 -0.327 1.00 30.19 H new ATOM 0 HB3 LEU A 70 -18.292 16.712 -0.364 1.00 30.19 H new ATOM 0 HG LEU A 70 -20.264 16.336 -2.331 1.00 30.12 H new ATOM 0 HD11 LEU A 70 -20.968 18.492 -1.771 1.00 29.21 H new ATOM 0 HD12 LEU A 70 -21.035 17.543 -0.506 1.00 29.21 H new ATOM 0 HD13 LEU A 70 -19.839 18.568 -0.663 1.00 29.21 H new ATOM 0 HD21 LEU A 70 -19.308 18.103 -3.524 1.00 32.20 H new ATOM 0 HD22 LEU A 70 -18.120 18.159 -2.478 1.00 32.20 H new ATOM 0 HD23 LEU A 70 -18.290 16.894 -3.416 1.00 32.20 H new ATOM 566 N GLU A 71 -17.175 13.204 -0.133 1.00 28.19 N ATOM 567 CA GLU A 71 -16.349 12.481 0.837 1.00 27.45 C ATOM 568 C GLU A 71 -16.610 12.829 2.308 1.00 26.28 C ATOM 569 O GLU A 71 -15.771 12.581 3.168 1.00 26.30 O ATOM 570 CB GLU A 71 -14.864 12.671 0.520 1.00 28.55 C ATOM 571 CG GLU A 71 -13.932 11.652 1.167 1.00 29.36 C ATOM 572 CD GLU A 71 -14.450 10.219 1.044 1.00 30.31 C ATOM 573 OE1 GLU A 71 -15.192 9.924 0.071 1.00 31.75 O ATOM 574 OE2 GLU A 71 -14.114 9.392 1.915 1.00 27.53 O ATOM 0 H GLU A 71 -17.801 12.728 -0.481 1.00 28.19 H new ATOM 0 HA GLU A 71 -16.609 11.552 0.738 1.00 27.45 H new ATOM 0 HB2 GLU A 71 -14.745 12.633 -0.442 1.00 28.55 H new ATOM 0 HB3 GLU A 71 -14.597 13.559 0.804 1.00 28.55 H new ATOM 0 HG2 GLU A 71 -13.056 11.712 0.754 1.00 29.36 H new ATOM 0 HG3 GLU A 71 -13.819 11.872 2.105 1.00 29.36 H new ATOM 575 N LEU A 72 -17.782 13.389 2.595 1.00 24.33 N ATOM 576 CA LEU A 72 -18.149 13.741 3.950 1.00 22.64 C ATOM 577 C LEU A 72 -19.497 13.135 4.328 1.00 23.62 C ATOM 578 O LEU A 72 -20.444 13.180 3.548 1.00 23.98 O ATOM 579 CB LEU A 72 -18.212 15.259 4.102 1.00 22.32 C ATOM 580 CG LEU A 72 -17.001 16.087 3.670 1.00 22.77 C ATOM 581 CD1 LEU A 72 -17.366 17.533 3.455 1.00 23.43 C ATOM 582 CD2 LEU A 72 -15.914 16.040 4.715 1.00 24.33 C ATOM 0 H LEU A 72 -18.382 13.573 2.007 1.00 24.33 H new ATOM 0 HA LEU A 72 -17.471 13.384 4.545 1.00 22.64 H new ATOM 0 HB2 LEU A 72 -18.979 15.574 3.599 1.00 22.32 H new ATOM 0 HB3 LEU A 72 -18.385 15.455 5.036 1.00 22.32 H new ATOM 0 HG LEU A 72 -16.687 15.700 2.838 1.00 22.77 H new ATOM 0 HD11 LEU A 72 -16.578 18.029 3.183 1.00 23.43 H new ATOM 0 HD12 LEU A 72 -18.043 17.597 2.763 1.00 23.43 H new ATOM 0 HD13 LEU A 72 -17.713 17.906 4.281 1.00 23.43 H new ATOM 0 HD21 LEU A 72 -15.158 16.571 4.420 1.00 24.33 H new ATOM 0 HD22 LEU A 72 -16.253 16.397 5.551 1.00 24.33 H new ATOM 0 HD23 LEU A 72 -15.631 15.122 4.847 1.00 24.33 H new ATOM 583 N THR A 73 -19.588 12.563 5.530 1.00 24.10 N ATOM 584 CA THR A 73 -20.857 12.097 6.057 1.00 23.46 C ATOM 585 C THR A 73 -21.192 12.942 7.252 1.00 25.09 C ATOM 586 O THR A 73 -20.380 13.102 8.161 1.00 26.41 O ATOM 587 CB THR A 73 -20.826 10.648 6.534 1.00 23.12 C ATOM 588 OG1 THR A 73 -20.513 9.795 5.427 1.00 24.43 O ATOM 589 CG2 THR A 73 -22.185 10.236 7.084 1.00 22.11 C ATOM 0 H THR A 73 -18.918 12.438 6.054 1.00 24.10 H new ATOM 0 HA THR A 73 -21.505 12.160 5.338 1.00 23.46 H new ATOM 0 HB THR A 73 -20.157 10.568 7.232 1.00 23.12 H new ATOM 0 HG1 THR A 73 -20.493 8.996 5.685 1.00 24.43 H new ATOM 0 HG21 THR A 73 -22.148 9.314 7.382 1.00 22.11 H new ATOM 0 HG22 THR A 73 -22.419 10.808 7.832 1.00 22.11 H new ATOM 0 HG23 THR A 73 -22.856 10.324 6.389 1.00 22.11 H new ATOM 590 N LEU A 74 -22.401 13.479 7.237 1.00 25.92 N ATOM 591 CA LEU A 74 -22.956 14.137 8.385 1.00 26.00 C ATOM 592 C LEU A 74 -23.676 13.108 9.273 1.00 26.52 C ATOM 593 O LEU A 74 -24.720 12.558 8.894 1.00 25.59 O ATOM 594 CB LEU A 74 -23.943 15.202 7.937 1.00 27.06 C ATOM 595 CG LEU A 74 -23.451 16.612 7.625 1.00 27.60 C ATOM 596 CD1 LEU A 74 -22.053 16.684 6.989 1.00 27.93 C ATOM 597 CD2 LEU A 74 -24.544 17.224 6.753 1.00 28.16 C ATOM 0 H LEU A 74 -22.920 13.468 6.552 1.00 25.92 H new ATOM 0 HA LEU A 74 -22.241 14.554 8.891 1.00 26.00 H new ATOM 0 HB2 LEU A 74 -24.387 14.868 7.142 1.00 27.06 H new ATOM 0 HB3 LEU A 74 -24.619 15.278 8.628 1.00 27.06 H new ATOM 0 HG LEU A 74 -23.315 17.112 8.445 1.00 27.60 H new ATOM 0 HD11 LEU A 74 -21.819 17.611 6.824 1.00 27.93 H new ATOM 0 HD12 LEU A 74 -21.403 16.289 7.591 1.00 27.93 H new ATOM 0 HD13 LEU A 74 -22.054 16.197 6.150 1.00 27.93 H new ATOM 0 HD21 LEU A 74 -24.297 18.131 6.513 1.00 28.16 H new ATOM 0 HD22 LEU A 74 -24.650 16.694 5.947 1.00 28.16 H new ATOM 0 HD23 LEU A 74 -25.381 17.236 7.244 1.00 28.16 H new ATOM 598 N ILE A 75 -23.116 12.842 10.452 1.00 26.03 N ATOM 599 CA ILE A 75 -23.779 11.923 11.372 1.00 25.90 C ATOM 600 C ILE A 75 -24.496 12.657 12.497 1.00 24.47 C ATOM 601 O ILE A 75 -23.994 13.617 13.031 1.00 24.15 O ATOM 602 CB ILE A 75 -22.847 10.840 11.923 1.00 25.87 C ATOM 603 CG1 ILE A 75 -21.717 11.437 12.720 1.00 27.86 C ATOM 604 CG2 ILE A 75 -22.299 10.020 10.778 1.00 27.25 C ATOM 605 CD1 ILE A 75 -20.939 10.398 13.523 1.00 28.16 C ATOM 0 H ILE A 75 -22.373 13.173 10.732 1.00 26.03 H new ATOM 0 HA ILE A 75 -24.449 11.465 10.841 1.00 25.90 H new ATOM 0 HB ILE A 75 -23.358 10.271 12.520 1.00 25.87 H new ATOM 0 HG12 ILE A 75 -21.109 11.894 12.118 1.00 27.86 H new ATOM 0 HG13 ILE A 75 -22.073 12.106 13.325 1.00 27.86 H new ATOM 0 HG21 ILE A 75 -21.708 9.333 11.125 1.00 27.25 H new ATOM 0 HG22 ILE A 75 -23.032 9.603 10.298 1.00 27.25 H new ATOM 0 HG23 ILE A 75 -21.805 10.596 10.175 1.00 27.25 H new ATOM 0 HD11 ILE A 75 -20.227 10.836 14.015 1.00 28.16 H new ATOM 0 HD12 ILE A 75 -21.537 9.956 14.146 1.00 28.16 H new ATOM 0 HD13 ILE A 75 -20.558 9.741 12.919 1.00 28.16 H new ATOM 606 N THR A 76 -25.715 12.231 12.796 1.00 23.47 N ATOM 607 CA THR A 76 -26.448 12.820 13.906 1.00 23.39 C ATOM 608 C THR A 76 -26.467 11.787 15.013 1.00 23.23 C ATOM 609 O THR A 76 -26.809 10.629 14.763 1.00 22.72 O ATOM 610 CB THR A 76 -27.873 13.333 13.533 1.00 22.57 C ATOM 611 OG1 THR A 76 -27.757 14.525 12.732 1.00 21.74 O ATOM 612 CG2 THR A 76 -28.666 13.670 14.793 1.00 21.24 C ATOM 0 H THR A 76 -26.132 11.609 12.374 1.00 23.47 H new ATOM 0 HA THR A 76 -25.997 13.629 14.195 1.00 23.39 H new ATOM 0 HB THR A 76 -28.333 12.636 13.040 1.00 22.57 H new ATOM 0 HG1 THR A 76 -28.524 14.802 12.529 1.00 21.74 H new ATOM 0 HG21 THR A 76 -29.549 13.987 14.545 1.00 21.24 H new ATOM 0 HG22 THR A 76 -28.751 12.876 15.344 1.00 21.24 H new ATOM 0 HG23 THR A 76 -28.203 14.361 15.292 1.00 21.24 H new ATOM 613 N LEU A 77 -26.064 12.216 16.212 1.00 22.92 N ATOM 614 CA LEU A 77 -25.770 11.306 17.319 1.00 24.62 C ATOM 615 C LEU A 77 -26.802 11.318 18.449 1.00 25.50 C ATOM 616 O LEU A 77 -27.414 12.335 18.767 1.00 24.86 O ATOM 617 CB LEU A 77 -24.407 11.641 17.916 1.00 26.29 C ATOM 618 CG LEU A 77 -23.223 11.686 16.948 1.00 27.40 C ATOM 619 CD1 LEU A 77 -21.969 12.114 17.697 1.00 26.66 C ATOM 620 CD2 LEU A 77 -23.047 10.316 16.305 1.00 27.85 C ATOM 0 H LEU A 77 -25.954 13.047 16.405 1.00 22.92 H new ATOM 0 HA LEU A 77 -25.789 10.418 16.929 1.00 24.62 H new ATOM 0 HB2 LEU A 77 -24.473 12.504 18.354 1.00 26.29 H new ATOM 0 HB3 LEU A 77 -24.210 10.987 18.605 1.00 26.29 H new ATOM 0 HG LEU A 77 -23.389 12.334 16.245 1.00 27.40 H new ATOM 0 HD11 LEU A 77 -21.219 12.142 17.083 1.00 26.66 H new ATOM 0 HD12 LEU A 77 -22.106 12.994 18.081 1.00 26.66 H new ATOM 0 HD13 LEU A 77 -21.782 11.478 18.406 1.00 26.66 H new ATOM 0 HD21 LEU A 77 -22.297 10.341 15.690 1.00 27.85 H new ATOM 0 HD22 LEU A 77 -22.878 9.654 16.994 1.00 27.85 H new ATOM 0 HD23 LEU A 77 -23.854 10.080 15.821 1.00 27.85 H new ATOM 621 N ASP A 78 -27.000 10.152 19.044 1.00 27.29 N ATOM 622 CA ASP A 78 -27.841 10.004 20.219 1.00 27.53 C ATOM 623 C ASP A 78 -26.937 10.218 21.430 1.00 27.27 C ATOM 624 O ASP A 78 -26.511 9.270 22.090 1.00 24.43 O ATOM 625 CB ASP A 78 -28.465 8.613 20.250 1.00 26.60 C ATOM 626 CG ASP A 78 -29.436 8.441 21.419 1.00 26.75 C ATOM 627 OD1 ASP A 78 -30.005 9.484 21.886 1.00 24.53 O ATOM 628 OD2 ASP A 78 -29.602 7.264 21.869 1.00 24.19 O ATOM 0 H ASP A 78 -26.646 9.416 18.774 1.00 27.29 H new ATOM 0 HA ASP A 78 -28.569 10.645 20.214 1.00 27.53 H new ATOM 0 HB2 ASP A 78 -28.934 8.452 19.416 1.00 26.60 H new ATOM 0 HB3 ASP A 78 -27.763 7.947 20.314 1.00 26.60 H new ATOM 629 N THR A 79 -26.648 11.479 21.707 1.00 27.98 N ATOM 630 CA THR A 79 -25.752 11.833 22.780 1.00 29.86 C ATOM 631 C THR A 79 -26.441 12.840 23.678 1.00 31.35 C ATOM 632 O THR A 79 -27.310 13.566 23.234 1.00 33.56 O ATOM 633 CB THR A 79 -24.440 12.408 22.227 1.00 29.52 C ATOM 634 OG1 THR A 79 -23.556 12.702 23.321 1.00 30.64 O ATOM 635 CG2 THR A 79 -24.695 13.682 21.418 1.00 27.62 C ATOM 0 H THR A 79 -26.968 12.151 21.276 1.00 27.98 H new ATOM 0 HA THR A 79 -25.530 11.039 23.292 1.00 29.86 H new ATOM 0 HB THR A 79 -24.037 11.750 21.639 1.00 29.52 H new ATOM 0 HG1 THR A 79 -22.836 13.016 23.023 1.00 30.64 H new ATOM 0 HG21 THR A 79 -23.853 14.025 21.080 1.00 27.62 H new ATOM 0 HG22 THR A 79 -25.283 13.481 20.674 1.00 27.62 H new ATOM 0 HG23 THR A 79 -25.111 14.349 21.987 1.00 27.62 H new ATOM 636 N ASN A 80 -26.056 12.871 24.946 1.00 36.73 N ATOM 637 CA ASN A 80 -26.728 13.726 25.911 1.00 41.86 C ATOM 638 C ASN A 80 -26.552 15.212 25.652 1.00 46.08 C ATOM 639 O ASN A 80 -27.552 15.966 25.730 1.00 51.37 O ATOM 640 CB ASN A 80 -26.284 13.398 27.339 1.00 43.46 C ATOM 641 CG ASN A 80 -26.512 11.940 27.699 1.00 45.45 C ATOM 642 OD1 ASN A 80 -25.877 11.033 27.111 1.00 47.03 O ATOM 643 ND2 ASN A 80 -27.419 11.694 28.655 1.00 40.30 N ATOM 0 H ASN A 80 -25.409 12.405 25.267 1.00 36.73 H new ATOM 0 HA ASN A 80 -27.673 13.534 25.804 1.00 41.86 H new ATOM 0 HB2 ASN A 80 -25.342 13.609 27.438 1.00 43.46 H new ATOM 0 HB3 ASN A 80 -26.768 13.962 27.963 1.00 43.46 H new ATOM 0 HD21 ASN A 80 -27.587 10.884 28.890 1.00 40.30 H new ATOM 0 HD22 ASN A 80 -27.833 12.346 29.033 1.00 40.30 H new ATOM 644 N GLU A 81 -25.325 15.652 25.345 1.00 46.25 N ATOM 645 CA GLU A 81 -25.072 17.097 25.316 1.00 50.52 C ATOM 646 C GLU A 81 -24.539 17.637 23.970 1.00 44.65 C ATOM 647 O GLU A 81 -23.820 16.964 23.261 1.00 43.15 O ATOM 648 CB GLU A 81 -24.151 17.490 26.460 1.00 53.98 C ATOM 649 CG GLU A 81 -24.599 18.760 27.221 1.00 53.40 C ATOM 650 CD GLU A 81 -25.888 18.571 27.965 1.00 53.97 C ATOM 651 OE1 GLU A 81 -26.507 17.514 27.802 1.00 51.69 O ATOM 652 OE2 GLU A 81 -26.288 19.479 28.730 1.00 55.46 O ATOM 0 H GLU A 81 -24.651 15.152 25.157 1.00 46.25 H new ATOM 0 HA GLU A 81 -25.939 17.517 25.426 1.00 50.52 H new ATOM 0 HB2 GLU A 81 -24.095 16.752 27.086 1.00 53.98 H new ATOM 0 HB3 GLU A 81 -23.258 17.632 26.110 1.00 53.98 H new ATOM 0 HG2 GLU A 81 -23.904 19.018 27.847 1.00 53.40 H new ATOM 0 HG3 GLU A 81 -24.699 19.491 26.591 1.00 53.40 H new ATOM 653 N LYS A 82 -24.898 18.883 23.683 1.00 41.96 N ATOM 654 CA LYS A 82 -24.559 19.579 22.457 1.00 40.81 C ATOM 655 C LYS A 82 -23.069 19.886 22.290 1.00 36.00 C ATOM 656 O LYS A 82 -22.381 20.251 23.242 1.00 34.86 O ATOM 657 CB LYS A 82 -25.312 20.918 22.390 1.00 43.60 C ATOM 658 CG LYS A 82 -26.769 20.849 22.823 1.00 49.41 C ATOM 659 CD LYS A 82 -27.514 22.147 22.511 1.00 52.71 C ATOM 660 CE LYS A 82 -28.796 21.896 21.711 1.00 55.38 C ATOM 661 NZ LYS A 82 -28.676 22.174 20.265 1.00 59.52 N ATOM 0 H LYS A 82 -25.365 19.363 24.222 1.00 41.96 H new ATOM 0 HA LYS A 82 -24.816 18.972 21.746 1.00 40.81 H new ATOM 0 HB2 LYS A 82 -24.851 21.563 22.949 1.00 43.60 H new ATOM 0 HB3 LYS A 82 -25.273 21.252 21.480 1.00 43.60 H new ATOM 0 HG2 LYS A 82 -27.206 20.109 22.373 1.00 49.41 H new ATOM 0 HG3 LYS A 82 -26.816 20.670 23.775 1.00 49.41 H new ATOM 0 HD2 LYS A 82 -27.735 22.599 23.340 1.00 52.71 H new ATOM 0 HD3 LYS A 82 -26.932 22.740 22.010 1.00 52.71 H new ATOM 0 HE2 LYS A 82 -29.063 20.971 21.831 1.00 55.38 H new ATOM 0 HE3 LYS A 82 -29.506 22.446 22.077 1.00 55.38 H new ATOM 0 HZ1 LYS A 82 -29.453 22.008 19.865 1.00 59.52 H new ATOM 0 HZ2 LYS A 82 -28.457 23.028 20.144 1.00 59.52 H new ATOM 662 N PHE A 83 -22.593 19.760 21.053 1.00 31.52 N ATOM 663 CA PHE A 83 -21.248 20.182 20.686 1.00 28.52 C ATOM 664 C PHE A 83 -21.208 21.704 20.710 1.00 27.77 C ATOM 665 O PHE A 83 -22.226 22.357 20.489 1.00 29.37 O ATOM 666 CB PHE A 83 -20.894 19.749 19.262 1.00 28.53 C ATOM 667 CG PHE A 83 -20.561 18.294 19.111 1.00 26.00 C ATOM 668 CD1 PHE A 83 -19.464 17.760 19.735 1.00 24.96 C ATOM 669 CD2 PHE A 83 -21.321 17.485 18.273 1.00 25.06 C ATOM 670 CE1 PHE A 83 -19.145 16.414 19.558 1.00 25.66 C ATOM 671 CE2 PHE A 83 -21.011 16.149 18.084 1.00 25.79 C ATOM 672 CZ PHE A 83 -19.917 15.605 18.733 1.00 25.75 C ATOM 0 H PHE A 83 -23.045 19.426 20.402 1.00 31.52 H new ATOM 0 HA PHE A 83 -20.622 19.781 21.309 1.00 28.52 H new ATOM 0 HB2 PHE A 83 -21.640 19.959 18.679 1.00 28.53 H new ATOM 0 HB3 PHE A 83 -20.138 20.274 18.956 1.00 28.53 H new ATOM 0 HD1 PHE A 83 -18.932 18.296 20.277 1.00 24.96 H new ATOM 0 HD2 PHE A 83 -22.053 17.849 17.830 1.00 25.06 H new ATOM 0 HE1 PHE A 83 -18.408 16.054 19.997 1.00 25.66 H new ATOM 0 HE2 PHE A 83 -21.534 15.621 17.525 1.00 25.79 H new ATOM 0 HZ PHE A 83 -19.701 14.708 18.618 1.00 25.75 H new ATOM 673 N ARG A 84 -20.030 22.270 20.964 1.00 25.52 N ATOM 674 CA ARG A 84 -19.884 23.699 20.936 1.00 24.19 C ATOM 675 C ARG A 84 -20.061 24.146 19.508 1.00 24.88 C ATOM 676 O ARG A 84 -19.561 23.522 18.556 1.00 23.64 O ATOM 677 CB ARG A 84 -18.530 24.160 21.464 1.00 25.57 C ATOM 678 CG ARG A 84 -18.190 25.583 20.997 1.00 26.68 C ATOM 679 CD ARG A 84 -16.804 26.011 21.361 1.00 28.23 C ATOM 680 NE ARG A 84 -15.785 25.330 20.563 1.00 31.68 N ATOM 681 CZ ARG A 84 -14.514 25.732 20.474 1.00 32.57 C ATOM 682 NH1 ARG A 84 -14.094 26.825 21.118 1.00 33.07 N ATOM 683 NH2 ARG A 84 -13.661 25.054 19.729 1.00 32.55 N ATOM 0 H ARG A 84 -19.312 21.836 21.153 1.00 25.52 H new ATOM 0 HA ARG A 84 -20.552 24.094 21.517 1.00 24.19 H new ATOM 0 HB2 ARG A 84 -18.534 24.130 22.434 1.00 25.57 H new ATOM 0 HB3 ARG A 84 -17.840 23.548 21.164 1.00 25.57 H new ATOM 0 HG2 ARG A 84 -18.295 25.634 20.034 1.00 26.68 H new ATOM 0 HG3 ARG A 84 -18.826 26.204 21.385 1.00 26.68 H new ATOM 0 HD2 ARG A 84 -16.721 26.970 21.238 1.00 28.23 H new ATOM 0 HD3 ARG A 84 -16.649 25.831 22.301 1.00 28.23 H new ATOM 0 HE ARG A 84 -16.018 24.628 20.124 1.00 31.68 H new ATOM 0 HH11 ARG A 84 -14.644 27.280 21.598 1.00 33.07 H new ATOM 0 HH12 ARG A 84 -13.273 27.074 21.053 1.00 33.07 H new ATOM 0 HH21 ARG A 84 -13.924 24.355 19.302 1.00 32.55 H new ATOM 0 HH22 ARG A 84 -12.842 25.311 19.670 1.00 32.55 H new ATOM 684 N ASP A 85 -20.758 25.254 19.336 1.00 25.62 N ATOM 685 CA ASP A 85 -21.056 25.685 17.969 1.00 26.53 C ATOM 686 C ASP A 85 -19.838 26.321 17.317 1.00 26.02 C ATOM 687 O ASP A 85 -19.363 27.350 17.762 1.00 28.93 O ATOM 688 CB ASP A 85 -22.263 26.611 17.955 1.00 25.22 C ATOM 689 CG ASP A 85 -22.903 26.684 16.618 1.00 24.04 C ATOM 690 OD1 ASP A 85 -22.196 26.444 15.619 1.00 21.92 O ATOM 691 OD2 ASP A 85 -24.107 27.004 16.587 1.00 24.14 O ATOM 0 H ASP A 85 -21.060 25.758 19.964 1.00 25.62 H new ATOM 0 HA ASP A 85 -21.281 24.904 17.440 1.00 26.53 H new ATOM 0 HB2 ASP A 85 -22.913 26.302 18.606 1.00 25.22 H new ATOM 0 HB3 ASP A 85 -21.989 27.500 18.229 1.00 25.22 H new ATOM 692 N ILE A 86 -19.323 25.679 16.279 1.00 26.11 N ATOM 693 CA ILE A 86 -18.106 26.163 15.562 1.00 25.25 C ATOM 694 C ILE A 86 -18.373 26.442 14.100 1.00 22.86 C ATOM 695 O ILE A 86 -17.454 26.696 13.349 1.00 22.80 O ATOM 696 CB ILE A 86 -16.891 25.206 15.687 1.00 25.01 C ATOM 697 CG1 ILE A 86 -17.296 23.770 15.340 1.00 26.33 C ATOM 698 CG2 ILE A 86 -16.356 25.261 17.110 1.00 26.09 C ATOM 699 CD1 ILE A 86 -16.400 23.120 14.325 1.00 27.49 C ATOM 0 H ILE A 86 -19.653 24.953 15.958 1.00 26.11 H new ATOM 0 HA ILE A 86 -17.877 26.993 16.008 1.00 25.25 H new ATOM 0 HB ILE A 86 -16.202 25.488 15.065 1.00 25.01 H new ATOM 0 HG12 ILE A 86 -17.294 23.237 16.150 1.00 26.33 H new ATOM 0 HG13 ILE A 86 -18.206 23.771 15.003 1.00 26.33 H new ATOM 0 HG21 ILE A 86 -15.596 24.664 17.193 1.00 26.09 H new ATOM 0 HG22 ILE A 86 -16.079 26.167 17.317 1.00 26.09 H new ATOM 0 HG23 ILE A 86 -17.051 24.987 17.728 1.00 26.09 H new ATOM 0 HD11 ILE A 86 -16.710 22.217 14.151 1.00 27.49 H new ATOM 0 HD12 ILE A 86 -16.418 23.632 13.502 1.00 27.49 H new ATOM 0 HD13 ILE A 86 -15.493 23.090 14.666 1.00 27.49 H new ATOM 700 N THR A 87 -19.646 26.493 13.742 1.00 22.52 N ATOM 701 CA THR A 87 -20.102 26.781 12.383 1.00 22.11 C ATOM 702 C THR A 87 -19.626 28.146 11.905 1.00 22.29 C ATOM 703 O THR A 87 -19.373 28.330 10.735 1.00 22.17 O ATOM 704 CB THR A 87 -21.649 26.751 12.324 1.00 21.89 C ATOM 705 OG1 THR A 87 -22.197 26.919 13.641 1.00 22.71 O ATOM 706 CG2 THR A 87 -22.131 25.426 11.815 1.00 22.12 C ATOM 0 H THR A 87 -20.290 26.358 14.295 1.00 22.52 H new ATOM 0 HA THR A 87 -19.727 26.099 11.804 1.00 22.11 H new ATOM 0 HB THR A 87 -21.933 27.467 11.734 1.00 21.89 H new ATOM 0 HG1 THR A 87 -22.076 26.217 14.087 1.00 22.71 H new ATOM 0 HG21 THR A 87 -23.101 25.424 11.784 1.00 22.12 H new ATOM 0 HG22 THR A 87 -21.779 25.274 10.924 1.00 22.12 H new ATOM 0 HG23 THR A 87 -21.825 24.721 12.407 1.00 22.12 H new ATOM 707 N LYS A 88 -19.528 29.092 12.825 1.00 24.06 N ATOM 708 CA LYS A 88 -19.020 30.435 12.541 1.00 26.21 C ATOM 709 C LYS A 88 -17.541 30.459 12.101 1.00 24.91 C ATOM 710 O LYS A 88 -17.140 31.309 11.316 1.00 22.01 O ATOM 711 CB LYS A 88 -19.187 31.340 13.770 1.00 29.70 C ATOM 712 CG LYS A 88 -17.890 31.543 14.568 1.00 32.82 C ATOM 713 CD LYS A 88 -17.924 30.909 15.949 1.00 33.05 C ATOM 714 CE LYS A 88 -18.253 31.977 16.965 1.00 34.09 C ATOM 715 NZ LYS A 88 -19.053 31.433 18.084 1.00 35.37 N ATOM 0 H LYS A 88 -19.757 28.976 13.646 1.00 24.06 H new ATOM 0 HA LYS A 88 -19.548 30.763 11.796 1.00 26.21 H new ATOM 0 HB2 LYS A 88 -19.519 32.205 13.482 1.00 29.70 H new ATOM 0 HB3 LYS A 88 -19.860 30.958 14.354 1.00 29.70 H new ATOM 0 HG2 LYS A 88 -17.148 31.170 14.067 1.00 32.82 H new ATOM 0 HG3 LYS A 88 -17.721 32.494 14.660 1.00 32.82 H new ATOM 0 HD2 LYS A 88 -18.587 30.202 15.978 1.00 33.05 H new ATOM 0 HD3 LYS A 88 -17.067 30.503 16.154 1.00 33.05 H new ATOM 0 HE2 LYS A 88 -17.432 32.361 17.310 1.00 34.09 H new ATOM 0 HE3 LYS A 88 -18.743 32.695 16.534 1.00 34.09 H new ATOM 0 HZ1 LYS A 88 -19.231 32.083 18.665 1.00 35.37 H new ATOM 0 HZ2 LYS A 88 -19.816 31.100 17.769 1.00 35.37 H new ATOM 0 HZ3 LYS A 88 -18.594 30.789 18.492 1.00 35.37 H new ATOM 716 N PHE A 89 -16.746 29.543 12.664 1.00 24.94 N ATOM 717 CA PHE A 89 -15.347 29.378 12.292 1.00 25.09 C ATOM 718 C PHE A 89 -15.159 28.826 10.896 1.00 25.01 C ATOM 719 O PHE A 89 -14.101 28.993 10.297 1.00 27.11 O ATOM 720 CB PHE A 89 -14.627 28.485 13.297 1.00 26.09 C ATOM 721 CG PHE A 89 -14.625 29.041 14.693 1.00 27.33 C ATOM 722 CD1 PHE A 89 -14.269 30.354 14.925 1.00 27.57 C ATOM 723 CD2 PHE A 89 -14.986 28.245 15.766 1.00 28.84 C ATOM 724 CE1 PHE A 89 -14.276 30.871 16.203 1.00 29.88 C ATOM 725 CE2 PHE A 89 -14.992 28.752 17.051 1.00 28.79 C ATOM 726 CZ PHE A 89 -14.645 30.072 17.274 1.00 29.09 C ATOM 0 H PHE A 89 -17.010 28.999 13.276 1.00 24.94 H new ATOM 0 HA PHE A 89 -14.960 30.268 12.301 1.00 25.09 H new ATOM 0 HB2 PHE A 89 -15.049 27.612 13.304 1.00 26.09 H new ATOM 0 HB3 PHE A 89 -13.711 28.355 13.006 1.00 26.09 H new ATOM 0 HD1 PHE A 89 -14.022 30.896 14.211 1.00 27.57 H new ATOM 0 HD2 PHE A 89 -15.227 27.359 15.620 1.00 28.84 H new ATOM 0 HE1 PHE A 89 -14.033 31.757 16.347 1.00 29.88 H new ATOM 0 HE2 PHE A 89 -15.229 28.206 17.766 1.00 28.79 H new ATOM 0 HZ PHE A 89 -14.659 30.421 18.136 1.00 29.09 H new ATOM 727 N ILE A 90 -16.189 28.162 10.385 1.00 25.16 N ATOM 728 CA ILE A 90 -16.186 27.548 9.051 1.00 24.55 C ATOM 729 C ILE A 90 -16.595 28.578 7.998 1.00 26.58 C ATOM 730 O ILE A 90 -17.647 29.237 8.106 1.00 25.01 O ATOM 731 CB ILE A 90 -17.137 26.337 8.994 1.00 24.26 C ATOM 732 CG1 ILE A 90 -16.692 25.279 10.008 1.00 23.84 C ATOM 733 CG2 ILE A 90 -17.149 25.717 7.608 1.00 25.14 C ATOM 734 CD1 ILE A 90 -17.626 24.098 10.124 1.00 23.73 C ATOM 0 H ILE A 90 -16.928 28.050 10.810 1.00 25.16 H new ATOM 0 HA ILE A 90 -15.286 27.237 8.866 1.00 24.55 H new ATOM 0 HB ILE A 90 -18.031 26.648 9.206 1.00 24.26 H new ATOM 0 HG12 ILE A 90 -15.811 24.958 9.759 1.00 23.84 H new ATOM 0 HG13 ILE A 90 -16.606 25.697 10.879 1.00 23.84 H new ATOM 0 HG21 ILE A 90 -17.754 24.959 7.598 1.00 25.14 H new ATOM 0 HG22 ILE A 90 -17.447 26.376 6.961 1.00 25.14 H new ATOM 0 HG23 ILE A 90 -16.255 25.420 7.378 1.00 25.14 H new ATOM 0 HD11 ILE A 90 -17.280 23.475 10.781 1.00 23.73 H new ATOM 0 HD12 ILE A 90 -18.503 24.405 10.401 1.00 23.73 H new ATOM 0 HD13 ILE A 90 -17.696 23.655 9.264 1.00 23.73 H new ATOM 735 N PRO A 91 -15.766 28.730 6.966 1.00 29.76 N ATOM 736 CA PRO A 91 -16.075 29.689 5.914 1.00 30.97 C ATOM 737 C PRO A 91 -17.344 29.336 5.118 1.00 30.80 C ATOM 738 O PRO A 91 -17.701 28.174 5.007 1.00 27.06 O ATOM 739 CB PRO A 91 -14.799 29.684 5.044 1.00 31.41 C ATOM 740 CG PRO A 91 -14.134 28.392 5.330 1.00 31.73 C ATOM 741 CD PRO A 91 -14.464 28.077 6.761 1.00 31.83 C ATOM 0 HA PRO A 91 -16.286 30.567 6.267 1.00 30.97 H new ATOM 0 HB2 PRO A 91 -15.017 29.764 4.102 1.00 31.41 H new ATOM 0 HB3 PRO A 91 -14.222 30.431 5.266 1.00 31.41 H new ATOM 0 HG2 PRO A 91 -14.455 27.695 4.736 1.00 31.73 H new ATOM 0 HG3 PRO A 91 -13.175 28.457 5.199 1.00 31.73 H new ATOM 0 HD2 PRO A 91 -14.516 27.120 6.913 1.00 31.83 H new ATOM 0 HD3 PRO A 91 -13.791 28.424 7.367 1.00 31.83 H new ATOM 742 N GLU A 92 -18.004 30.362 4.590 1.00 35.24 N ATOM 743 CA GLU A 92 -19.243 30.197 3.826 1.00 37.13 C ATOM 744 C GLU A 92 -18.982 29.421 2.543 1.00 38.21 C ATOM 745 O GLU A 92 -19.826 28.635 2.116 1.00 41.68 O ATOM 746 CB GLU A 92 -19.868 31.542 3.502 1.00 40.53 C ATOM 747 CG GLU A 92 -19.818 32.561 4.622 1.00 44.70 C ATOM 748 CD GLU A 92 -21.046 33.475 4.612 1.00 52.16 C ATOM 749 OE1 GLU A 92 -22.192 32.953 4.540 1.00 56.06 O ATOM 750 OE2 GLU A 92 -20.874 34.717 4.685 1.00 56.55 O ATOM 0 H GLU A 92 -17.746 31.179 4.664 1.00 35.24 H new ATOM 0 HA GLU A 92 -19.865 29.695 4.375 1.00 37.13 H new ATOM 0 HB2 GLU A 92 -19.419 31.913 2.726 1.00 40.53 H new ATOM 0 HB3 GLU A 92 -20.795 31.401 3.253 1.00 40.53 H new ATOM 0 HG2 GLU A 92 -19.763 32.102 5.475 1.00 44.70 H new ATOM 0 HG3 GLU A 92 -19.014 33.097 4.536 1.00 44.70 H new ATOM 751 N ASN A 93 -17.828 29.656 1.919 1.00 38.74 N ATOM 752 CA ASN A 93 -17.425 28.887 0.748 1.00 39.38 C ATOM 753 C ASN A 93 -16.016 28.375 0.940 1.00 37.22 C ATOM 754 O ASN A 93 -15.265 28.929 1.736 1.00 32.42 O ATOM 755 CB ASN A 93 -17.528 29.725 -0.520 1.00 43.51 C ATOM 756 CG ASN A 93 -18.231 28.969 -1.640 1.00 48.56 C ATOM 757 OD1 ASN A 93 -17.772 27.885 -2.081 1.00 47.10 O ATOM 758 ND2 ASN A 93 -19.375 29.500 -2.082 1.00 47.68 N ATOM 0 H ASN A 93 -17.264 30.259 2.161 1.00 38.74 H new ATOM 0 HA ASN A 93 -18.026 28.132 0.648 1.00 39.38 H new ATOM 0 HB2 ASN A 93 -18.012 30.544 -0.329 1.00 43.51 H new ATOM 0 HB3 ASN A 93 -16.639 29.982 -0.811 1.00 43.51 H new ATOM 0 HD21 ASN A 93 -19.828 29.098 -2.692 1.00 47.68 H new ATOM 0 HD22 ASN A 93 -19.658 30.244 -1.756 1.00 47.68 H new ATOM 759 N ILE A 94 -15.652 27.315 0.232 1.00 37.88 N ATOM 760 CA ILE A 94 -14.395 26.664 0.517 1.00 39.54 C ATOM 761 C ILE A 94 -13.263 27.654 0.304 1.00 40.76 C ATOM 762 O ILE A 94 -13.184 28.304 -0.740 1.00 45.64 O ATOM 763 CB ILE A 94 -14.161 25.413 -0.358 1.00 40.48 C ATOM 764 CG1 ILE A 94 -15.485 24.716 -0.663 1.00 42.59 C ATOM 765 CG2 ILE A 94 -13.209 24.437 0.329 1.00 39.91 C ATOM 766 CD1 ILE A 94 -15.543 23.260 -0.261 1.00 42.20 C ATOM 0 H ILE A 94 -16.112 26.966 -0.405 1.00 37.88 H new ATOM 0 HA ILE A 94 -14.422 26.365 1.440 1.00 39.54 H new ATOM 0 HB ILE A 94 -13.758 25.704 -1.191 1.00 40.48 H new ATOM 0 HG12 ILE A 94 -16.198 25.192 -0.210 1.00 42.59 H new ATOM 0 HG13 ILE A 94 -15.659 24.783 -1.615 1.00 42.59 H new ATOM 0 HG21 ILE A 94 -13.077 23.661 -0.237 1.00 39.91 H new ATOM 0 HG22 ILE A 94 -12.356 24.872 0.485 1.00 39.91 H new ATOM 0 HG23 ILE A 94 -13.588 24.157 1.177 1.00 39.91 H new ATOM 0 HD11 ILE A 94 -16.413 22.896 -0.489 1.00 42.20 H new ATOM 0 HD12 ILE A 94 -14.853 22.766 -0.731 1.00 42.20 H new ATOM 0 HD13 ILE A 94 -15.401 23.182 0.695 1.00 42.20 H new ATOM 767 N SER A 95 -12.389 27.751 1.301 1.00 38.83 N ATOM 768 CA SER A 95 -11.295 28.682 1.276 1.00 40.01 C ATOM 769 C SER A 95 -9.993 27.944 1.431 1.00 41.94 C ATOM 770 O SER A 95 -9.921 26.895 2.071 1.00 46.34 O ATOM 771 CB SER A 95 -11.432 29.682 2.412 1.00 40.11 C ATOM 772 OG SER A 95 -12.784 29.770 2.781 1.00 42.32 O ATOM 0 H SER A 95 -12.424 27.269 2.013 1.00 38.83 H new ATOM 0 HA SER A 95 -11.308 29.152 0.427 1.00 40.01 H new ATOM 0 HB2 SER A 95 -10.895 29.404 3.170 1.00 40.11 H new ATOM 0 HB3 SER A 95 -11.103 30.551 2.135 1.00 40.11 H new ATOM 0 HG SER A 95 -12.915 30.488 3.197 1.00 42.32 H new ATOM 773 N THR A 96 -8.968 28.545 0.854 1.00 43.63 N ATOM 774 CA THR A 96 -7.597 28.094 0.959 1.00 42.66 C ATOM 775 C THR A 96 -7.012 28.724 2.217 1.00 40.47 C ATOM 776 O THR A 96 -7.698 29.491 2.892 1.00 37.81 O ATOM 777 CB THR A 96 -6.810 28.550 -0.283 1.00 43.19 C ATOM 778 OG1 THR A 96 -6.364 29.909 -0.117 1.00 43.21 O ATOM 779 CG2 THR A 96 -7.706 28.418 -1.552 1.00 43.52 C ATOM 0 H THR A 96 -9.056 29.253 0.373 1.00 43.63 H new ATOM 0 HA THR A 96 -7.547 27.127 1.010 1.00 42.66 H new ATOM 0 HB THR A 96 -6.030 27.984 -0.392 1.00 43.19 H new ATOM 0 HG1 THR A 96 -5.935 30.148 -0.798 1.00 43.21 H new ATOM 0 HG21 THR A 96 -7.207 28.706 -2.332 1.00 43.52 H new ATOM 0 HG22 THR A 96 -7.974 27.493 -1.664 1.00 43.52 H new ATOM 0 HG23 THR A 96 -8.495 28.973 -1.450 1.00 43.52 H new ATOM 780 N ALA A 97 -5.762 28.383 2.540 1.00 39.77 N ATOM 781 CA ALA A 97 -5.051 29.014 3.668 1.00 38.97 C ATOM 782 C ALA A 97 -3.560 28.825 3.533 1.00 36.12 C ATOM 783 O ALA A 97 -3.101 28.049 2.713 1.00 31.66 O ATOM 784 CB ALA A 97 -5.539 28.484 5.022 1.00 39.07 C ATOM 0 H ALA A 97 -5.304 27.788 2.121 1.00 39.77 H new ATOM 0 HA ALA A 97 -5.249 29.963 3.638 1.00 38.97 H new ATOM 0 HB1 ALA A 97 -5.050 28.921 5.736 1.00 39.07 H new ATOM 0 HB2 ALA A 97 -6.486 28.669 5.120 1.00 39.07 H new ATOM 0 HB3 ALA A 97 -5.390 27.527 5.068 1.00 39.07 H new ATOM 785 N SER A 98 -2.812 29.555 4.350 1.00 36.02 N ATOM 786 CA SER A 98 -1.363 29.548 4.294 1.00 38.32 C ATOM 787 C SER A 98 -0.837 29.075 5.635 1.00 41.64 C ATOM 788 O SER A 98 -1.326 29.527 6.654 1.00 50.47 O ATOM 789 CB SER A 98 -0.856 30.962 4.024 1.00 37.27 C ATOM 790 OG SER A 98 -1.169 31.363 2.710 1.00 37.45 O ATOM 0 H SER A 98 -3.136 30.072 4.956 1.00 36.02 H new ATOM 0 HA SER A 98 -1.059 28.960 3.585 1.00 38.32 H new ATOM 0 HB2 SER A 98 -1.253 31.579 4.658 1.00 37.27 H new ATOM 0 HB3 SER A 98 0.104 30.997 4.157 1.00 37.27 H new ATOM 0 HG SER A 98 -0.884 32.142 2.579 1.00 37.45 H new ATOM 791 N ASP A 99 0.152 28.185 5.662 1.00 43.83 N ATOM 792 CA ASP A 99 0.666 27.680 6.943 1.00 42.67 C ATOM 793 C ASP A 99 -0.461 27.012 7.737 1.00 39.85 C ATOM 794 O ASP A 99 -0.692 27.358 8.925 1.00 35.16 O ATOM 795 CB ASP A 99 1.178 28.821 7.821 1.00 46.85 C ATOM 796 CG ASP A 99 2.488 29.396 7.368 1.00 49.27 C ATOM 797 OD1 ASP A 99 3.330 28.622 6.861 1.00 55.37 O ATOM 798 OD2 ASP A 99 2.682 30.619 7.587 1.00 45.89 O ATOM 0 H ASP A 99 0.537 27.862 4.964 1.00 43.83 H new ATOM 0 HA ASP A 99 1.380 27.058 6.732 1.00 42.67 H new ATOM 0 HB2 ASP A 99 0.513 29.527 7.838 1.00 46.85 H new ATOM 0 HB3 ASP A 99 1.273 28.499 8.731 1.00 46.85 H new ATOM 799 N ALA A 100 -1.196 26.110 7.082 1.00 35.05 N ATOM 800 CA ALA A 100 -2.293 25.422 7.751 1.00 37.32 C ATOM 801 C ALA A 100 -1.775 24.383 8.721 1.00 35.77 C ATOM 802 O ALA A 100 -0.613 24.042 8.695 1.00 39.82 O ATOM 803 CB ALA A 100 -3.241 24.792 6.751 1.00 38.24 C ATOM 0 H ALA A 100 -1.075 25.887 6.260 1.00 35.05 H new ATOM 0 HA ALA A 100 -2.788 26.087 8.255 1.00 37.32 H new ATOM 0 HB1 ALA A 100 -3.959 24.343 7.224 1.00 38.24 H new ATOM 0 HB2 ALA A 100 -3.613 25.481 6.179 1.00 38.24 H new ATOM 0 HB3 ALA A 100 -2.759 24.148 6.209 1.00 38.24 H new ATOM 804 N THR A 101 -2.648 23.895 9.595 1.00 36.28 N ATOM 805 CA THR A 101 -2.263 22.890 10.592 1.00 33.07 C ATOM 806 C THR A 101 -3.270 21.775 10.549 1.00 30.91 C ATOM 807 O THR A 101 -4.483 22.018 10.575 1.00 32.60 O ATOM 808 CB THR A 101 -2.241 23.462 12.010 1.00 31.67 C ATOM 809 OG1 THR A 101 -1.482 24.678 12.025 1.00 30.83 O ATOM 810 CG2 THR A 101 -1.643 22.450 12.967 1.00 31.97 C ATOM 0 H THR A 101 -3.474 24.132 9.631 1.00 36.28 H new ATOM 0 HA THR A 101 -1.369 22.581 10.379 1.00 33.07 H new ATOM 0 HB THR A 101 -3.148 23.655 12.295 1.00 31.67 H new ATOM 0 HG1 THR A 101 -1.472 24.992 12.804 1.00 30.83 H new ATOM 0 HG21 THR A 101 -1.632 22.819 13.864 1.00 31.97 H new ATOM 0 HG22 THR A 101 -2.177 21.640 12.958 1.00 31.97 H new ATOM 0 HG23 THR A 101 -0.736 22.242 12.693 1.00 31.97 H new ATOM 811 N LEU A 102 -2.769 20.554 10.474 1.00 28.50 N ATOM 812 CA LEU A 102 -3.632 19.390 10.498 1.00 27.39 C ATOM 813 C LEU A 102 -3.731 18.963 11.937 1.00 26.99 C ATOM 814 O LEU A 102 -2.730 18.654 12.566 1.00 26.69 O ATOM 815 CB LEU A 102 -3.076 18.262 9.636 1.00 25.17 C ATOM 816 CG LEU A 102 -3.946 17.035 9.426 1.00 23.77 C ATOM 817 CD1 LEU A 102 -5.263 17.388 8.749 1.00 24.09 C ATOM 818 CD2 LEU A 102 -3.141 16.046 8.597 1.00 23.25 C ATOM 0 H LEU A 102 -1.930 20.378 10.409 1.00 28.50 H new ATOM 0 HA LEU A 102 -4.504 19.605 10.133 1.00 27.39 H new ATOM 0 HB2 LEU A 102 -2.865 18.630 8.764 1.00 25.17 H new ATOM 0 HB3 LEU A 102 -2.240 17.970 10.031 1.00 25.17 H new ATOM 0 HG LEU A 102 -4.184 16.644 10.281 1.00 23.77 H new ATOM 0 HD11 LEU A 102 -5.792 16.584 8.631 1.00 24.09 H new ATOM 0 HD12 LEU A 102 -5.752 18.018 9.301 1.00 24.09 H new ATOM 0 HD13 LEU A 102 -5.085 17.788 7.883 1.00 24.09 H new ATOM 0 HD21 LEU A 102 -3.669 15.247 8.443 1.00 23.25 H new ATOM 0 HD22 LEU A 102 -2.911 16.449 7.745 1.00 23.25 H new ATOM 0 HD23 LEU A 102 -2.329 15.810 9.073 1.00 23.25 H new ATOM 819 N VAL A 103 -4.948 18.969 12.455 1.00 27.81 N ATOM 820 CA VAL A 103 -5.206 18.492 13.811 1.00 27.90 C ATOM 821 C VAL A 103 -5.842 17.105 13.778 1.00 26.57 C ATOM 822 O VAL A 103 -6.983 16.913 13.356 1.00 26.11 O ATOM 823 CB VAL A 103 -6.111 19.479 14.561 1.00 30.73 C ATOM 824 CG1 VAL A 103 -6.989 18.772 15.567 1.00 32.04 C ATOM 825 CG2 VAL A 103 -5.265 20.534 15.250 1.00 34.97 C ATOM 0 H VAL A 103 -5.646 19.247 12.037 1.00 27.81 H new ATOM 0 HA VAL A 103 -4.360 18.430 14.282 1.00 27.90 H new ATOM 0 HB VAL A 103 -6.692 19.906 13.913 1.00 30.73 H new ATOM 0 HG11 VAL A 103 -7.547 19.421 16.023 1.00 32.04 H new ATOM 0 HG12 VAL A 103 -7.551 18.127 15.110 1.00 32.04 H new ATOM 0 HG13 VAL A 103 -6.433 18.312 16.216 1.00 32.04 H new ATOM 0 HG21 VAL A 103 -5.842 21.154 15.722 1.00 34.97 H new ATOM 0 HG22 VAL A 103 -4.665 20.107 15.881 1.00 34.97 H new ATOM 0 HG23 VAL A 103 -4.746 21.016 14.587 1.00 34.97 H new ATOM 826 N ILE A 104 -5.101 16.136 14.288 1.00 26.66 N ATOM 827 CA ILE A 104 -5.540 14.748 14.323 1.00 26.15 C ATOM 828 C ILE A 104 -5.780 14.337 15.761 1.00 24.27 C ATOM 829 O ILE A 104 -4.964 14.615 16.624 1.00 21.81 O ATOM 830 CB ILE A 104 -4.458 13.842 13.693 1.00 28.29 C ATOM 831 CG1 ILE A 104 -4.473 13.997 12.156 1.00 27.73 C ATOM 832 CG2 ILE A 104 -4.666 12.386 14.090 1.00 28.42 C ATOM 833 CD1 ILE A 104 -3.124 14.357 11.613 1.00 26.23 C ATOM 0 H ILE A 104 -4.321 16.264 14.627 1.00 26.66 H new ATOM 0 HA ILE A 104 -6.363 14.655 13.818 1.00 26.15 H new ATOM 0 HB ILE A 104 -3.590 14.118 14.028 1.00 28.29 H new ATOM 0 HG12 ILE A 104 -4.772 13.168 11.751 1.00 27.73 H new ATOM 0 HG13 ILE A 104 -5.114 14.682 11.907 1.00 27.73 H new ATOM 0 HG21 ILE A 104 -3.977 11.838 13.684 1.00 28.42 H new ATOM 0 HG22 ILE A 104 -4.617 12.303 15.055 1.00 28.42 H new ATOM 0 HG23 ILE A 104 -5.537 12.088 13.784 1.00 28.42 H new ATOM 0 HD11 ILE A 104 -3.176 14.445 10.648 1.00 26.23 H new ATOM 0 HD12 ILE A 104 -2.834 15.198 11.999 1.00 26.23 H new ATOM 0 HD13 ILE A 104 -2.487 13.661 11.840 1.00 26.23 H new ATOM 834 N ASN A 105 -6.921 13.705 16.019 1.00 23.71 N ATOM 835 CA ASN A 105 -7.166 13.108 17.318 1.00 23.85 C ATOM 836 C ASN A 105 -7.686 11.690 17.172 1.00 24.55 C ATOM 837 O ASN A 105 -8.808 11.470 16.726 1.00 25.19 O ATOM 838 CB ASN A 105 -8.172 13.941 18.110 1.00 24.54 C ATOM 839 CG ASN A 105 -8.107 13.681 19.586 1.00 24.08 C ATOM 840 OD1 ASN A 105 -7.123 13.176 20.107 1.00 23.58 O ATOM 841 ND2 ASN A 105 -9.170 14.022 20.264 1.00 26.14 N ATOM 0 H ASN A 105 -7.563 13.613 15.454 1.00 23.71 H new ATOM 0 HA ASN A 105 -6.323 13.085 17.797 1.00 23.85 H new ATOM 0 HB2 ASN A 105 -8.008 14.883 17.944 1.00 24.54 H new ATOM 0 HB3 ASN A 105 -9.068 13.749 17.791 1.00 24.54 H new ATOM 0 HD21 ASN A 105 -9.197 13.894 21.114 1.00 26.14 H new ATOM 0 HD22 ASN A 105 -9.842 14.375 19.861 1.00 26.14 H new ATOM 842 N THR A 106 -6.889 10.724 17.608 1.00 24.83 N ATOM 843 CA THR A 106 -7.188 9.312 17.416 1.00 23.34 C ATOM 844 C THR A 106 -6.595 8.533 18.575 1.00 24.14 C ATOM 845 O THR A 106 -5.733 9.036 19.282 1.00 21.78 O ATOM 846 CB THR A 106 -6.563 8.814 16.105 1.00 23.38 C ATOM 847 OG1 THR A 106 -7.547 8.843 15.072 1.00 23.23 O ATOM 848 CG2 THR A 106 -6.014 7.407 16.226 1.00 23.07 C ATOM 0 H THR A 106 -6.153 10.871 18.027 1.00 24.83 H new ATOM 0 HA THR A 106 -8.149 9.186 17.376 1.00 23.34 H new ATOM 0 HB THR A 106 -5.822 9.403 15.893 1.00 23.38 H new ATOM 0 HG1 THR A 106 -7.207 8.572 14.353 1.00 23.23 H new ATOM 0 HG21 THR A 106 -5.631 7.135 15.378 1.00 23.07 H new ATOM 0 HG22 THR A 106 -5.329 7.385 16.912 1.00 23.07 H new ATOM 0 HG23 THR A 106 -6.731 6.799 16.466 1.00 23.07 H new ATOM 849 N GLU A 107 -7.064 7.310 18.789 1.00 24.23 N ATOM 850 CA GLU A 107 -6.509 6.499 19.833 1.00 23.43 C ATOM 851 C GLU A 107 -5.010 6.305 19.624 1.00 22.93 C ATOM 852 O GLU A 107 -4.237 6.345 20.558 1.00 22.55 O ATOM 853 CB GLU A 107 -7.202 5.159 19.857 1.00 25.02 C ATOM 854 CG GLU A 107 -7.166 4.522 21.224 1.00 28.64 C ATOM 855 CD GLU A 107 -6.951 3.044 21.137 1.00 31.67 C ATOM 856 OE1 GLU A 107 -7.683 2.347 20.376 1.00 30.62 O ATOM 857 OE2 GLU A 107 -6.030 2.597 21.857 1.00 36.22 O ATOM 0 H GLU A 107 -7.698 6.943 18.339 1.00 24.23 H new ATOM 0 HA GLU A 107 -6.645 6.948 20.682 1.00 23.43 H new ATOM 0 HB2 GLU A 107 -8.124 5.269 19.578 1.00 25.02 H new ATOM 0 HB3 GLU A 107 -6.780 4.567 19.215 1.00 25.02 H new ATOM 0 HG2 GLU A 107 -6.456 4.923 21.750 1.00 28.64 H new ATOM 0 HG3 GLU A 107 -7.999 4.702 21.688 1.00 28.64 H new ATOM 858 N HIS A 108 -4.613 6.112 18.382 1.00 24.11 N ATOM 859 CA HIS A 108 -3.241 5.794 18.035 1.00 25.59 C ATOM 860 C HIS A 108 -2.396 7.063 17.870 1.00 25.81 C ATOM 861 O HIS A 108 -1.196 7.067 18.225 1.00 30.32 O ATOM 862 CB HIS A 108 -3.173 4.934 16.762 1.00 26.16 C ATOM 863 CG HIS A 108 -3.790 3.555 16.900 1.00 28.53 C ATOM 864 ND1 HIS A 108 -3.823 2.854 18.095 1.00 30.71 N ATOM 865 CD2 HIS A 108 -4.363 2.736 15.975 1.00 28.56 C ATOM 866 CE1 HIS A 108 -4.383 1.669 17.900 1.00 29.99 C ATOM 867 NE2 HIS A 108 -4.731 1.581 16.625 1.00 28.98 N ATOM 0 H HIS A 108 -5.140 6.162 17.704 1.00 24.11 H new ATOM 0 HA HIS A 108 -2.871 5.280 18.770 1.00 25.59 H new ATOM 0 HB2 HIS A 108 -3.621 5.406 16.043 1.00 26.16 H new ATOM 0 HB3 HIS A 108 -2.244 4.835 16.501 1.00 26.16 H new ATOM 0 HD2 HIS A 108 -4.483 2.923 15.072 1.00 28.56 H new ATOM 0 HE1 HIS A 108 -4.510 1.013 18.547 1.00 29.99 H new ATOM 0 HE2 HIS A 108 -5.125 0.908 16.261 1.00 28.98 H new ATOM 868 N MET A 109 -3.004 8.131 17.360 1.00 21.81 N ATOM 869 CA MET A 109 -2.335 9.414 17.276 1.00 20.05 C ATOM 870 C MET A 109 -3.161 10.511 17.967 1.00 19.53 C ATOM 871 O MET A 109 -3.813 11.292 17.308 1.00 19.31 O ATOM 872 CB MET A 109 -2.080 9.792 15.819 1.00 20.19 C ATOM 873 CG MET A 109 -1.407 8.717 14.953 1.00 20.46 C ATOM 874 SD MET A 109 -1.045 9.269 13.242 1.00 19.76 S ATOM 875 CE MET A 109 -1.701 7.892 12.338 1.00 22.09 C ATOM 0 H MET A 109 -3.809 8.128 17.057 1.00 21.81 H new ATOM 0 HA MET A 109 -1.483 9.336 17.734 1.00 20.05 H new ATOM 0 HB2 MET A 109 -2.928 10.027 15.411 1.00 20.19 H new ATOM 0 HB3 MET A 109 -1.527 10.589 15.802 1.00 20.19 H new ATOM 0 HG2 MET A 109 -0.579 8.442 15.378 1.00 20.46 H new ATOM 0 HG3 MET A 109 -1.981 7.936 14.918 1.00 20.46 H new ATOM 0 HE1 MET A 109 -1.469 7.980 11.400 1.00 22.09 H new ATOM 0 HE2 MET A 109 -1.327 7.068 12.687 1.00 22.09 H new ATOM 0 HE3 MET A 109 -2.666 7.874 12.431 1.00 22.09 H new ATOM 876 N PRO A 110 -3.118 10.577 19.307 1.00 18.65 N ATOM 877 CA PRO A 110 -3.893 11.535 20.074 1.00 18.85 C ATOM 878 C PRO A 110 -3.338 12.955 20.051 1.00 19.30 C ATOM 879 O PRO A 110 -2.164 13.147 20.230 1.00 20.20 O ATOM 880 CB PRO A 110 -3.791 11.006 21.505 1.00 19.43 C ATOM 881 CG PRO A 110 -2.864 9.824 21.479 1.00 19.06 C ATOM 882 CD PRO A 110 -2.187 9.823 20.157 1.00 18.93 C ATOM 0 HA PRO A 110 -4.789 11.604 19.709 1.00 18.85 H new ATOM 0 HB2 PRO A 110 -3.453 11.693 22.100 1.00 19.43 H new ATOM 0 HB3 PRO A 110 -4.665 10.748 21.837 1.00 19.43 H new ATOM 0 HG2 PRO A 110 -2.214 9.884 22.196 1.00 19.06 H new ATOM 0 HG3 PRO A 110 -3.357 8.999 21.611 1.00 19.06 H new ATOM 0 HD2 PRO A 110 -1.316 10.247 20.200 1.00 18.93 H new ATOM 0 HD3 PRO A 110 -2.048 8.922 19.826 1.00 18.93 H new ATOM 883 N SER A 111 -4.195 13.944 19.866 1.00 19.88 N ATOM 884 CA SER A 111 -3.811 15.355 19.972 1.00 19.46 C ATOM 885 C SER A 111 -2.546 15.629 19.163 1.00 19.90 C ATOM 886 O SER A 111 -1.560 16.206 19.662 1.00 20.13 O ATOM 887 CB SER A 111 -3.594 15.739 21.425 1.00 20.21 C ATOM 888 OG SER A 111 -4.572 15.119 22.252 1.00 20.81 O ATOM 0 H SER A 111 -5.024 13.822 19.674 1.00 19.88 H new ATOM 0 HA SER A 111 -4.533 15.894 19.612 1.00 19.46 H new ATOM 0 HB2 SER A 111 -2.706 15.471 21.708 1.00 20.21 H new ATOM 0 HB3 SER A 111 -3.644 16.703 21.522 1.00 20.21 H new ATOM 0 HG SER A 111 -4.441 15.337 23.053 1.00 20.81 H new ATOM 889 N MET A 112 -2.603 15.221 17.896 1.00 19.70 N ATOM 890 CA MET A 112 -1.477 15.310 16.992 1.00 18.92 C ATOM 891 C MET A 112 -1.555 16.559 16.119 1.00 20.42 C ATOM 892 O MET A 112 -2.579 16.871 15.555 1.00 19.45 O ATOM 893 CB MET A 112 -1.455 14.057 16.142 1.00 17.35 C ATOM 894 CG MET A 112 -0.058 13.636 15.780 1.00 15.99 C ATOM 895 SD MET A 112 -0.025 12.697 14.252 1.00 14.10 S ATOM 896 CE MET A 112 1.723 12.881 13.949 1.00 15.61 C ATOM 0 H MET A 112 -3.309 14.882 17.540 1.00 19.70 H new ATOM 0 HA MET A 112 -0.656 15.381 17.504 1.00 18.92 H new ATOM 0 HB2 MET A 112 -1.894 13.336 16.621 1.00 17.35 H new ATOM 0 HB3 MET A 112 -1.965 14.210 15.331 1.00 17.35 H new ATOM 0 HG2 MET A 112 0.504 14.421 15.690 1.00 15.99 H new ATOM 0 HG3 MET A 112 0.315 13.101 16.498 1.00 15.99 H new ATOM 0 HE1 MET A 112 1.959 12.423 13.127 1.00 15.61 H new ATOM 0 HE2 MET A 112 1.940 13.823 13.867 1.00 15.61 H new ATOM 0 HE3 MET A 112 2.222 12.498 14.687 1.00 15.61 H new ATOM 897 N PHE A 113 -0.448 17.279 16.041 1.00 25.53 N ATOM 898 CA PHE A 113 -0.376 18.548 15.294 1.00 28.90 C ATOM 899 C PHE A 113 0.605 18.376 14.167 1.00 27.24 C ATOM 900 O PHE A 113 1.782 18.033 14.377 1.00 24.54 O ATOM 901 CB PHE A 113 0.087 19.707 16.177 1.00 33.33 C ATOM 902 CG PHE A 113 -0.967 20.229 17.109 1.00 37.64 C ATOM 903 CD1 PHE A 113 -1.422 21.516 16.980 1.00 42.44 C ATOM 904 CD2 PHE A 113 -1.491 19.443 18.122 1.00 41.63 C ATOM 905 CE1 PHE A 113 -2.402 22.024 17.836 1.00 45.17 C ATOM 906 CE2 PHE A 113 -2.487 19.932 18.963 1.00 44.42 C ATOM 907 CZ PHE A 113 -2.945 21.232 18.822 1.00 44.12 C ATOM 0 H PHE A 113 0.291 17.053 16.418 1.00 25.53 H new ATOM 0 HA PHE A 113 -1.264 18.761 14.966 1.00 28.90 H new ATOM 0 HB2 PHE A 113 0.851 19.417 16.699 1.00 33.33 H new ATOM 0 HB3 PHE A 113 0.390 20.432 15.609 1.00 33.33 H new ATOM 0 HD1 PHE A 113 -1.072 22.060 16.311 1.00 42.44 H new ATOM 0 HD2 PHE A 113 -1.173 18.577 18.242 1.00 41.63 H new ATOM 0 HE1 PHE A 113 -2.689 22.903 17.739 1.00 45.17 H new ATOM 0 HE2 PHE A 113 -2.847 19.384 19.622 1.00 44.42 H new ATOM 0 HZ PHE A 113 -3.608 21.564 19.384 1.00 44.12 H new ATOM 908 N VAL A 114 0.111 18.625 12.968 1.00 27.88 N ATOM 909 CA VAL A 114 0.885 18.379 11.764 1.00 30.22 C ATOM 910 C VAL A 114 0.887 19.619 10.859 1.00 32.29 C ATOM 911 O VAL A 114 -0.177 20.107 10.462 1.00 29.34 O ATOM 912 CB VAL A 114 0.348 17.138 11.023 1.00 30.50 C ATOM 913 CG1 VAL A 114 1.302 16.695 9.940 1.00 29.30 C ATOM 914 CG2 VAL A 114 0.148 15.992 12.001 1.00 30.60 C ATOM 0 H VAL A 114 -0.677 18.939 12.828 1.00 27.88 H new ATOM 0 HA VAL A 114 1.804 18.199 12.016 1.00 30.22 H new ATOM 0 HB VAL A 114 -0.499 17.380 10.617 1.00 30.50 H new ATOM 0 HG11 VAL A 114 0.942 15.915 9.490 1.00 29.30 H new ATOM 0 HG12 VAL A 114 1.419 17.413 9.298 1.00 29.30 H new ATOM 0 HG13 VAL A 114 2.160 16.473 10.335 1.00 29.30 H new ATOM 0 HG21 VAL A 114 -0.190 15.216 11.526 1.00 30.60 H new ATOM 0 HG22 VAL A 114 0.995 15.771 12.419 1.00 30.60 H new ATOM 0 HG23 VAL A 114 -0.489 16.256 12.683 1.00 30.60 H new ATOM 915 N PRO A 115 2.094 20.143 10.550 1.00 34.82 N ATOM 916 CA PRO A 115 2.240 21.417 9.861 1.00 33.59 C ATOM 917 C PRO A 115 2.172 21.219 8.375 1.00 32.57 C ATOM 918 O PRO A 115 3.214 21.108 7.719 1.00 34.83 O ATOM 919 CB PRO A 115 3.633 21.881 10.291 1.00 33.85 C ATOM 920 CG PRO A 115 4.391 20.638 10.650 1.00 34.82 C ATOM 921 CD PRO A 115 3.403 19.501 10.775 1.00 35.17 C ATOM 0 HA PRO A 115 1.544 22.058 10.076 1.00 33.59 H new ATOM 0 HB2 PRO A 115 4.075 22.362 9.574 1.00 33.85 H new ATOM 0 HB3 PRO A 115 3.579 22.486 11.048 1.00 33.85 H new ATOM 0 HG2 PRO A 115 5.053 20.437 9.970 1.00 34.82 H new ATOM 0 HG3 PRO A 115 4.870 20.763 11.484 1.00 34.82 H new ATOM 0 HD2 PRO A 115 3.576 18.806 10.120 1.00 35.17 H new ATOM 0 HD3 PRO A 115 3.449 19.084 11.650 1.00 35.17 H new ATOM 922 N VAL A 116 0.958 21.144 7.844 1.00 30.53 N ATOM 923 CA VAL A 116 0.801 20.788 6.421 1.00 30.45 C ATOM 924 C VAL A 116 1.156 21.924 5.443 1.00 32.00 C ATOM 925 O VAL A 116 1.486 21.668 4.274 1.00 30.67 O ATOM 926 CB VAL A 116 -0.585 20.166 6.086 1.00 29.26 C ATOM 927 CG1 VAL A 116 -0.770 18.862 6.832 1.00 29.72 C ATOM 928 CG2 VAL A 116 -1.722 21.108 6.397 1.00 29.59 C ATOM 0 H VAL A 116 0.225 21.289 8.269 1.00 30.53 H new ATOM 0 HA VAL A 116 1.465 20.094 6.284 1.00 30.45 H new ATOM 0 HB VAL A 116 -0.601 19.996 5.131 1.00 29.26 H new ATOM 0 HG11 VAL A 116 -1.637 18.485 6.615 1.00 29.72 H new ATOM 0 HG12 VAL A 116 -0.073 18.239 6.573 1.00 29.72 H new ATOM 0 HG13 VAL A 116 -0.719 19.025 7.787 1.00 29.72 H new ATOM 0 HG21 VAL A 116 -2.565 20.683 6.174 1.00 29.59 H new ATOM 0 HG22 VAL A 116 -1.711 21.328 7.342 1.00 29.59 H new ATOM 0 HG23 VAL A 116 -1.622 21.920 5.875 1.00 29.59 H new ATOM 929 N GLY A 117 1.098 23.171 5.912 1.00 34.70 N ATOM 930 CA GLY A 117 1.474 24.335 5.074 1.00 35.81 C ATOM 931 C GLY A 117 0.335 24.942 4.272 1.00 35.44 C ATOM 932 O GLY A 117 -0.827 24.819 4.653 1.00 37.76 O ATOM 0 H GLY A 117 0.846 23.373 6.709 1.00 34.70 H new ATOM 0 HA2 GLY A 117 1.850 25.021 5.647 1.00 35.81 H new ATOM 0 HA3 GLY A 117 2.174 24.062 4.461 1.00 35.81 H new ATOM 933 N ASP A 118 0.660 25.610 3.175 1.00 34.73 N ATOM 934 CA ASP A 118 -0.361 26.292 2.393 1.00 33.94 C ATOM 935 C ASP A 118 -1.332 25.256 1.788 1.00 33.42 C ATOM 936 O ASP A 118 -0.933 24.186 1.314 1.00 32.84 O ATOM 937 CB ASP A 118 0.246 27.207 1.293 1.00 33.73 C ATOM 938 CG ASP A 118 1.299 28.198 1.831 1.00 33.14 C ATOM 939 OD1 ASP A 118 1.415 28.445 3.055 1.00 33.88 O ATOM 940 OD2 ASP A 118 2.035 28.736 0.993 1.00 30.93 O ATOM 0 H ASP A 118 1.460 25.681 2.867 1.00 34.73 H new ATOM 0 HA ASP A 118 -0.852 26.877 2.990 1.00 33.94 H new ATOM 0 HB2 ASP A 118 0.653 26.652 0.609 1.00 33.73 H new ATOM 0 HB3 ASP A 118 -0.468 27.705 0.866 1.00 33.73 H new ATOM 941 N VAL A 119 -2.614 25.594 1.842 1.00 33.75 N ATOM 942 CA VAL A 119 -3.704 24.743 1.357 1.00 34.34 C ATOM 943 C VAL A 119 -4.275 25.403 0.114 1.00 36.97 C ATOM 944 O VAL A 119 -4.550 26.591 0.117 1.00 40.21 O ATOM 945 CB VAL A 119 -4.815 24.581 2.421 1.00 32.57 C ATOM 946 CG1 VAL A 119 -6.039 23.866 1.858 1.00 32.84 C ATOM 947 CG2 VAL A 119 -4.271 23.846 3.636 1.00 31.71 C ATOM 0 H VAL A 119 -2.885 26.342 2.169 1.00 33.75 H new ATOM 0 HA VAL A 119 -3.363 23.856 1.162 1.00 34.34 H new ATOM 0 HB VAL A 119 -5.101 25.468 2.691 1.00 32.57 H new ATOM 0 HG11 VAL A 119 -6.713 23.783 2.551 1.00 32.84 H new ATOM 0 HG12 VAL A 119 -6.400 24.377 1.117 1.00 32.84 H new ATOM 0 HG13 VAL A 119 -5.784 22.983 1.548 1.00 32.84 H new ATOM 0 HG21 VAL A 119 -4.974 23.749 4.297 1.00 31.71 H new ATOM 0 HG22 VAL A 119 -3.955 22.968 3.369 1.00 31.71 H new ATOM 0 HG23 VAL A 119 -3.536 24.351 4.018 1.00 31.71 H new ATOM 948 N VAL A 120 -4.437 24.637 -0.952 1.00 38.77 N ATOM 949 CA VAL A 120 -4.701 25.223 -2.257 1.00 41.35 C ATOM 950 C VAL A 120 -5.776 24.424 -2.964 1.00 45.99 C ATOM 951 O VAL A 120 -5.920 23.240 -2.735 1.00 42.43 O ATOM 952 CB VAL A 120 -3.414 25.253 -3.115 1.00 43.29 C ATOM 953 CG1 VAL A 120 -2.274 25.967 -2.394 1.00 44.52 C ATOM 954 CG2 VAL A 120 -2.948 23.851 -3.470 1.00 44.98 C ATOM 0 H VAL A 120 -4.398 23.778 -0.943 1.00 38.77 H new ATOM 0 HA VAL A 120 -5.005 26.136 -2.132 1.00 41.35 H new ATOM 0 HB VAL A 120 -3.640 25.737 -3.925 1.00 43.29 H new ATOM 0 HG11 VAL A 120 -1.485 25.968 -2.958 1.00 44.52 H new ATOM 0 HG12 VAL A 120 -2.535 26.881 -2.202 1.00 44.52 H new ATOM 0 HG13 VAL A 120 -2.077 25.506 -1.564 1.00 44.52 H new ATOM 0 HG21 VAL A 120 -2.142 23.904 -4.007 1.00 44.98 H new ATOM 0 HG22 VAL A 120 -2.763 23.356 -2.657 1.00 44.98 H new ATOM 0 HG23 VAL A 120 -3.642 23.397 -3.974 1.00 44.98 H new ATOM 955 N GLN A 121 -6.536 25.057 -3.846 1.00 55.06 N ATOM 956 CA GLN A 121 -7.599 24.330 -4.536 1.00 57.88 C ATOM 957 C GLN A 121 -7.011 23.192 -5.358 1.00 57.73 C ATOM 958 O GLN A 121 -6.038 23.385 -6.082 1.00 60.99 O ATOM 959 CB GLN A 121 -8.396 25.269 -5.440 1.00 56.44 C ATOM 960 CG GLN A 121 -9.153 26.348 -4.680 1.00 60.58 C ATOM 961 CD GLN A 121 -10.409 25.817 -3.987 1.00 65.74 C ATOM 962 OE1 GLN A 121 -10.673 26.113 -2.811 1.00 59.53 O ATOM 963 NE2 GLN A 121 -11.184 25.005 -4.715 1.00 69.42 N ATOM 0 H GLN A 121 -6.459 25.887 -4.058 1.00 55.06 H new ATOM 0 HA GLN A 121 -8.198 23.961 -3.869 1.00 57.88 H new ATOM 0 HB2 GLN A 121 -7.791 25.691 -6.069 1.00 56.44 H new ATOM 0 HB3 GLN A 121 -9.027 24.747 -5.960 1.00 56.44 H new ATOM 0 HG2 GLN A 121 -8.566 26.743 -4.017 1.00 60.58 H new ATOM 0 HG3 GLN A 121 -9.403 27.056 -5.295 1.00 60.58 H new ATOM 0 HE21 GLN A 121 -10.971 24.821 -5.528 1.00 69.42 H new ATOM 0 HE22 GLN A 121 -11.896 24.667 -4.370 1.00 69.42 H new ATOM 964 N TYR A 122 -7.565 21.998 -5.212 1.00 55.48 N ATOM 965 CA TYR A 122 -7.190 20.893 -6.085 1.00 53.04 C ATOM 966 C TYR A 122 -8.315 20.630 -7.062 1.00 54.12 C ATOM 967 O TYR A 122 -8.079 20.276 -8.232 1.00 57.55 O ATOM 968 CB TYR A 122 -6.887 19.626 -5.290 1.00 51.91 C ATOM 969 CG TYR A 122 -6.057 18.631 -6.063 1.00 52.38 C ATOM 970 CD1 TYR A 122 -4.659 18.650 -5.970 1.00 53.75 C ATOM 971 CD2 TYR A 122 -6.659 17.684 -6.896 1.00 49.86 C ATOM 972 CE1 TYR A 122 -3.883 17.756 -6.664 1.00 51.28 C ATOM 973 CE2 TYR A 122 -5.898 16.782 -7.599 1.00 53.63 C ATOM 974 CZ TYR A 122 -4.498 16.817 -7.480 1.00 54.47 C ATOM 975 OH TYR A 122 -3.705 15.920 -8.167 1.00 46.71 O ATOM 0 H TYR A 122 -8.157 21.805 -4.618 1.00 55.48 H new ATOM 0 HA TYR A 122 -6.383 21.140 -6.562 1.00 53.04 H new ATOM 0 HB2 TYR A 122 -6.420 19.866 -4.475 1.00 51.91 H new ATOM 0 HB3 TYR A 122 -7.722 19.208 -5.026 1.00 51.91 H new ATOM 0 HD1 TYR A 122 -4.248 19.282 -5.426 1.00 53.75 H new ATOM 0 HD2 TYR A 122 -7.585 17.664 -6.975 1.00 49.86 H new ATOM 0 HE1 TYR A 122 -2.956 17.779 -6.588 1.00 51.28 H new ATOM 0 HE2 TYR A 122 -6.306 16.153 -8.149 1.00 53.63 H new ATOM 0 HH TYR A 122 -4.191 15.407 -8.621 1.00 46.71 H new ATOM 976 N GLY A 123 -9.532 20.806 -6.565 1.00 52.01 N ATOM 977 CA GLY A 123 -10.748 20.587 -7.345 1.00 54.71 C ATOM 978 C GLY A 123 -11.208 19.143 -7.446 1.00 55.39 C ATOM 979 O GLY A 123 -12.294 18.812 -6.993 1.00 56.24 O ATOM 0 H GLY A 123 -9.679 21.059 -5.756 1.00 52.01 H new ATOM 0 HA2 GLY A 123 -11.464 21.112 -6.953 1.00 54.71 H new ATOM 0 HA3 GLY A 123 -10.604 20.928 -8.242 1.00 54.71 H new ATOM 980 N PHE A 124 -10.412 18.286 -8.075 1.00 57.93 N ATOM 981 CA PHE A 124 -10.843 16.900 -8.292 1.00 56.16 C ATOM 982 C PHE A 124 -9.780 15.872 -7.926 1.00 57.66 C ATOM 983 O PHE A 124 -8.596 16.015 -8.239 1.00 59.48 O ATOM 984 CB PHE A 124 -11.301 16.697 -9.722 1.00 56.00 C ATOM 985 CG PHE A 124 -11.365 15.262 -10.138 1.00 59.20 C ATOM 986 CD1 PHE A 124 -12.549 14.673 -10.493 1.00 60.97 C ATOM 987 CD2 PHE A 124 -10.236 14.528 -10.246 1.00 63.24 C ATOM 988 CE1 PHE A 124 -12.618 13.354 -10.925 1.00 63.06 C ATOM 989 CE2 PHE A 124 -10.262 13.206 -10.670 1.00 64.79 C ATOM 990 CZ PHE A 124 -11.458 12.605 -10.999 1.00 66.55 C ATOM 0 H PHE A 124 -9.631 18.477 -8.381 1.00 57.93 H new ATOM 0 HA PHE A 124 -11.589 16.753 -7.690 1.00 56.16 H new ATOM 0 HB2 PHE A 124 -12.178 17.096 -9.831 1.00 56.00 H new ATOM 0 HB3 PHE A 124 -10.698 17.171 -10.316 1.00 56.00 H new ATOM 0 HD1 PHE A 124 -13.332 15.172 -10.443 1.00 60.97 H new ATOM 0 HD2 PHE A 124 -9.420 14.918 -10.031 1.00 63.24 H new ATOM 0 HE1 PHE A 124 -13.435 12.979 -11.162 1.00 63.06 H new ATOM 0 HE2 PHE A 124 -9.469 12.724 -10.732 1.00 64.79 H new ATOM 0 HZ PHE A 124 -11.484 11.714 -11.265 1.00 66.55 H new ATOM 991 N LEU A 125 -10.214 14.827 -7.232 1.00 56.96 N ATOM 992 CA LEU A 125 -9.313 13.770 -6.813 1.00 52.18 C ATOM 993 C LEU A 125 -10.055 12.474 -6.976 1.00 54.76 C ATOM 994 O LEU A 125 -11.264 12.419 -6.765 1.00 47.28 O ATOM 995 CB LEU A 125 -8.956 13.976 -5.350 1.00 51.63 C ATOM 996 CG LEU A 125 -7.684 13.376 -4.761 1.00 56.11 C ATOM 997 CD1 LEU A 125 -6.463 13.617 -5.631 1.00 57.55 C ATOM 998 CD2 LEU A 125 -7.461 13.939 -3.364 1.00 54.69 C ATOM 0 H LEU A 125 -11.032 14.713 -6.994 1.00 56.96 H new ATOM 0 HA LEU A 125 -8.497 13.769 -7.337 1.00 52.18 H new ATOM 0 HB2 LEU A 125 -8.915 14.933 -5.200 1.00 51.63 H new ATOM 0 HB3 LEU A 125 -9.699 13.638 -4.826 1.00 51.63 H new ATOM 0 HG LEU A 125 -7.805 12.415 -4.718 1.00 56.11 H new ATOM 0 HD11 LEU A 125 -5.684 13.217 -5.214 1.00 57.55 H new ATOM 0 HD12 LEU A 125 -6.603 13.217 -6.503 1.00 57.55 H new ATOM 0 HD13 LEU A 125 -6.321 14.571 -5.733 1.00 57.55 H new ATOM 0 HD21 LEU A 125 -6.652 13.559 -2.987 1.00 54.69 H new ATOM 0 HD22 LEU A 125 -7.371 14.904 -3.414 1.00 54.69 H new ATOM 0 HD23 LEU A 125 -8.217 13.714 -2.800 1.00 54.69 H new ATOM 999 N ASN A 126 -9.343 11.433 -7.389 1.00 60.51 N ATOM 1000 CA ASN A 126 -9.932 10.105 -7.413 1.00 67.39 C ATOM 1001 C ASN A 126 -9.136 9.233 -6.475 1.00 72.96 C ATOM 1002 O ASN A 126 -7.921 9.081 -6.631 1.00 70.93 O ATOM 1003 CB ASN A 126 -9.937 9.506 -8.811 1.00 69.98 C ATOM 1004 CG ASN A 126 -10.643 8.159 -8.861 1.00 70.39 C ATOM 1005 OD1 ASN A 126 -10.692 7.442 -7.878 1.00 76.46 O ATOM 1006 ND2 ASN A 126 -11.162 7.804 -10.015 1.00 70.80 N ATOM 0 H ASN A 126 -8.527 11.474 -7.656 1.00 60.51 H new ATOM 0 HA ASN A 126 -10.859 10.163 -7.133 1.00 67.39 H new ATOM 0 HB2 ASN A 126 -10.373 10.120 -9.422 1.00 69.98 H new ATOM 0 HB3 ASN A 126 -9.023 9.401 -9.119 1.00 69.98 H new ATOM 0 HD21 ASN A 126 -11.553 7.042 -10.094 1.00 70.80 H new ATOM 0 HD22 ASN A 126 -11.111 8.334 -10.691 1.00 70.80 H new ATOM 1007 N LEU A 127 -9.815 8.670 -5.480 1.00 78.37 N ATOM 1008 CA LEU A 127 -9.138 7.847 -4.505 1.00 83.72 C ATOM 1009 C LEU A 127 -9.828 6.512 -4.388 1.00 83.91 C ATOM 1010 O LEU A 127 -11.023 6.443 -4.103 1.00 85.61 O ATOM 1011 CB LEU A 127 -9.135 8.558 -3.166 1.00 88.75 C ATOM 1012 CG LEU A 127 -8.481 9.954 -3.180 1.00 93.26 C ATOM 1013 CD1 LEU A 127 -9.184 10.882 -2.204 1.00 93.94 C ATOM 1014 CD2 LEU A 127 -6.980 9.907 -2.904 1.00 92.14 C ATOM 0 H LEU A 127 -10.662 8.755 -5.358 1.00 78.37 H new ATOM 0 HA LEU A 127 -8.223 7.695 -4.788 1.00 83.72 H new ATOM 0 HB2 LEU A 127 -10.051 8.646 -2.858 1.00 88.75 H new ATOM 0 HB3 LEU A 127 -8.671 8.003 -2.520 1.00 88.75 H new ATOM 0 HG LEU A 127 -8.585 10.305 -4.078 1.00 93.26 H new ATOM 0 HD11 LEU A 127 -8.761 11.755 -2.225 1.00 93.94 H new ATOM 0 HD12 LEU A 127 -10.117 10.969 -2.455 1.00 93.94 H new ATOM 0 HD13 LEU A 127 -9.124 10.515 -1.308 1.00 93.94 H new ATOM 0 HD21 LEU A 127 -6.619 10.807 -2.924 1.00 92.14 H new ATOM 0 HD22 LEU A 127 -6.824 9.516 -2.030 1.00 92.14 H new ATOM 0 HD23 LEU A 127 -6.543 9.369 -3.582 1.00 92.14 H new ATOM 1015 N SER A 128 -9.065 5.447 -4.617 1.00 83.35 N ATOM 1016 CA SER A 128 -9.562 4.096 -4.425 1.00 79.93 C ATOM 1017 C SER A 128 -10.862 3.839 -5.194 1.00 73.29 C ATOM 1018 O SER A 128 -11.755 3.150 -4.708 1.00 73.89 O ATOM 1019 CB SER A 128 -9.768 3.828 -2.929 1.00 80.09 C ATOM 1020 OG SER A 128 -8.615 4.190 -2.181 1.00 77.92 O ATOM 0 H SER A 128 -8.249 5.490 -4.887 1.00 83.35 H new ATOM 0 HA SER A 128 -8.897 3.486 -4.779 1.00 79.93 H new ATOM 0 HB2 SER A 128 -10.535 4.329 -2.610 1.00 80.09 H new ATOM 0 HB3 SER A 128 -9.966 2.889 -2.790 1.00 80.09 H new ATOM 0 HG SER A 128 -8.750 4.037 -1.366 1.00 77.92 H new ATOM 1021 N GLY A 129 -10.968 4.395 -6.395 1.00 63.55 N ATOM 1022 CA GLY A 129 -12.093 4.085 -7.275 1.00 61.74 C ATOM 1023 C GLY A 129 -13.256 5.062 -7.241 1.00 60.04 C ATOM 1024 O GLY A 129 -14.067 5.106 -8.177 1.00 56.92 O ATOM 0 H GLY A 129 -10.401 4.954 -6.721 1.00 63.55 H new ATOM 0 HA2 GLY A 129 -11.763 4.034 -8.186 1.00 61.74 H new ATOM 0 HA3 GLY A 129 -12.427 3.204 -7.045 1.00 61.74 H new ATOM 1025 N LYS A 130 -13.363 5.839 -6.166 1.00 61.07 N ATOM 1026 CA LYS A 130 -14.423 6.844 -6.091 1.00 60.53 C ATOM 1027 C LYS A 130 -13.953 8.245 -6.553 1.00 63.09 C ATOM 1028 O LYS A 130 -12.918 8.760 -6.082 1.00 55.37 O ATOM 1029 CB LYS A 130 -15.055 6.898 -4.701 1.00 57.59 C ATOM 1030 CG LYS A 130 -16.520 7.263 -4.756 1.00 56.05 C ATOM 1031 CD LYS A 130 -17.297 6.598 -3.641 1.00 58.60 C ATOM 1032 CE LYS A 130 -18.692 7.215 -3.505 1.00 59.58 C ATOM 1033 NZ LYS A 130 -19.532 6.998 -4.713 1.00 58.39 N ATOM 0 H LYS A 130 -12.844 5.803 -5.481 1.00 61.07 H new ATOM 0 HA LYS A 130 -15.109 6.562 -6.716 1.00 60.53 H new ATOM 0 HB2 LYS A 130 -14.954 6.036 -4.267 1.00 57.59 H new ATOM 0 HB3 LYS A 130 -14.582 7.547 -4.157 1.00 57.59 H new ATOM 0 HG2 LYS A 130 -16.618 8.226 -4.691 1.00 56.05 H new ATOM 0 HG3 LYS A 130 -16.889 6.998 -5.613 1.00 56.05 H new ATOM 0 HD2 LYS A 130 -17.375 5.648 -3.818 1.00 58.60 H new ATOM 0 HD3 LYS A 130 -16.815 6.692 -2.805 1.00 58.60 H new ATOM 0 HE2 LYS A 130 -19.137 6.833 -2.732 1.00 59.58 H new ATOM 0 HE3 LYS A 130 -18.606 8.167 -3.341 1.00 59.58 H new ATOM 0 HZ1 LYS A 130 -20.353 7.307 -4.563 1.00 58.39 H new ATOM 0 HZ2 LYS A 130 -19.174 7.429 -5.405 1.00 58.39 H new ATOM 0 HZ3 LYS A 130 -19.572 6.128 -4.895 1.00 58.39 H new ATOM 1034 N PRO A 131 -14.703 8.834 -7.508 1.00 65.62 N ATOM 1035 CA PRO A 131 -14.543 10.198 -8.001 1.00 65.40 C ATOM 1036 C PRO A 131 -15.099 11.244 -7.015 1.00 64.78 C ATOM 1037 O PRO A 131 -16.260 11.136 -6.584 1.00 59.01 O ATOM 1038 CB PRO A 131 -15.373 10.188 -9.291 1.00 69.22 C ATOM 1039 CG PRO A 131 -16.425 9.152 -9.071 1.00 67.36 C ATOM 1040 CD PRO A 131 -15.708 8.084 -8.297 1.00 70.19 C ATOM 0 HA PRO A 131 -13.612 10.440 -8.127 1.00 65.40 H new ATOM 0 HB2 PRO A 131 -15.768 11.058 -9.461 1.00 69.22 H new ATOM 0 HB3 PRO A 131 -14.823 9.971 -10.060 1.00 69.22 H new ATOM 0 HG2 PRO A 131 -17.179 9.508 -8.575 1.00 67.36 H new ATOM 0 HG3 PRO A 131 -16.773 8.812 -9.910 1.00 67.36 H new ATOM 0 HD2 PRO A 131 -16.316 7.591 -7.723 1.00 70.19 H new ATOM 0 HD3 PRO A 131 -15.288 7.438 -8.887 1.00 70.19 H new ATOM 1041 N THR A 132 -14.285 12.251 -6.681 1.00 59.45 N ATOM 1042 CA THR A 132 -14.611 13.178 -5.589 1.00 56.18 C ATOM 1043 C THR A 132 -14.330 14.667 -5.916 1.00 54.37 C ATOM 1044 O THR A 132 -13.250 15.011 -6.388 1.00 53.22 O ATOM 1045 CB THR A 132 -13.863 12.767 -4.290 1.00 56.24 C ATOM 1046 OG1 THR A 132 -14.263 11.452 -3.887 1.00 54.05 O ATOM 1047 CG2 THR A 132 -14.135 13.755 -3.142 1.00 59.51 C ATOM 0 H THR A 132 -13.538 12.415 -7.075 1.00 59.45 H new ATOM 0 HA THR A 132 -15.570 13.107 -5.460 1.00 56.18 H new ATOM 0 HB THR A 132 -12.913 12.779 -4.484 1.00 56.24 H new ATOM 0 HG1 THR A 132 -13.854 11.237 -3.185 1.00 54.05 H new ATOM 0 HG21 THR A 132 -13.655 13.470 -2.349 1.00 59.51 H new ATOM 0 HG22 THR A 132 -13.836 14.641 -3.400 1.00 59.51 H new ATOM 0 HG23 THR A 132 -15.086 13.778 -2.953 1.00 59.51 H new ATOM 1048 N HIS A 133 -15.307 15.534 -5.620 1.00 50.76 N ATOM 1049 CA HIS A 133 -15.182 16.987 -5.816 1.00 48.65 C ATOM 1050 C HIS A 133 -15.061 17.814 -4.551 1.00 48.46 C ATOM 1051 O HIS A 133 -15.264 17.336 -3.434 1.00 51.46 O ATOM 1052 CB HIS A 133 -16.341 17.539 -6.651 1.00 49.30 C ATOM 1053 CG HIS A 133 -16.217 17.231 -8.110 1.00 55.16 C ATOM 1054 ND1 HIS A 133 -17.300 17.166 -8.953 1.00 56.62 N ATOM 1055 CD2 HIS A 133 -15.138 16.931 -8.869 1.00 58.17 C ATOM 1056 CE1 HIS A 133 -16.897 16.836 -10.169 1.00 59.79 C ATOM 1057 NE2 HIS A 133 -15.587 16.706 -10.149 1.00 60.03 N ATOM 0 H HIS A 133 -16.067 15.293 -5.297 1.00 50.76 H new ATOM 0 HA HIS A 133 -14.337 17.077 -6.284 1.00 48.65 H new ATOM 0 HB2 HIS A 133 -17.175 17.171 -6.319 1.00 49.30 H new ATOM 0 HB3 HIS A 133 -16.388 18.501 -6.532 1.00 49.30 H new ATOM 0 HD1 HIS A 133 -18.115 17.317 -8.725 1.00 56.62 H new ATOM 0 HD2 HIS A 133 -14.256 16.885 -8.579 1.00 58.17 H new ATOM 0 HE1 HIS A 133 -17.445 16.716 -10.911 1.00 59.79 H new ATOM 1058 N ARG A 134 -14.725 19.084 -4.781 1.00 44.19 N ATOM 1059 CA ARG A 134 -14.476 20.124 -3.758 1.00 36.72 C ATOM 1060 C ARG A 134 -13.334 19.772 -2.796 1.00 32.99 C ATOM 1061 O ARG A 134 -13.409 20.006 -1.606 1.00 28.05 O ATOM 1062 CB ARG A 134 -15.764 20.510 -3.040 1.00 34.01 C ATOM 1063 CG ARG A 134 -16.970 20.619 -3.947 1.00 32.04 C ATOM 1064 CD ARG A 134 -17.845 21.815 -3.609 1.00 33.72 C ATOM 1065 NE ARG A 134 -19.185 21.734 -4.218 1.00 32.88 N ATOM 1066 CZ ARG A 134 -20.340 21.763 -3.546 1.00 33.45 C ATOM 1067 NH1 ARG A 134 -20.365 21.901 -2.220 1.00 34.07 N ATOM 1068 NH2 ARG A 134 -21.502 21.685 -4.201 1.00 32.90 N ATOM 0 H ARG A 134 -14.629 19.386 -5.581 1.00 44.19 H new ATOM 0 HA ARG A 134 -14.164 20.912 -4.230 1.00 36.72 H new ATOM 0 HB2 ARG A 134 -15.948 19.852 -2.351 1.00 34.01 H new ATOM 0 HB3 ARG A 134 -15.631 21.360 -2.592 1.00 34.01 H new ATOM 0 HG2 ARG A 134 -16.673 20.689 -4.868 1.00 32.04 H new ATOM 0 HG3 ARG A 134 -17.497 19.807 -3.879 1.00 32.04 H new ATOM 0 HD2 ARG A 134 -17.936 21.882 -2.646 1.00 33.72 H new ATOM 0 HD3 ARG A 134 -17.406 22.626 -3.909 1.00 33.72 H new ATOM 0 HE ARG A 134 -19.227 21.662 -5.074 1.00 32.88 H new ATOM 0 HH11 ARG A 134 -19.629 21.973 -1.781 1.00 34.07 H new ATOM 0 HH12 ARG A 134 -21.117 21.918 -1.804 1.00 34.07 H new ATOM 0 HH21 ARG A 134 -21.509 21.616 -5.058 1.00 32.90 H new ATOM 0 HH22 ARG A 134 -22.243 21.704 -3.765 1.00 32.90 H new ATOM 1069 N THR A 135 -12.264 19.219 -3.356 1.00 33.81 N ATOM 1070 CA THR A 135 -11.108 18.788 -2.574 1.00 35.43 C ATOM 1071 C THR A 135 -10.071 19.903 -2.537 1.00 35.54 C ATOM 1072 O THR A 135 -10.128 20.859 -3.322 1.00 39.84 O ATOM 1073 CB THR A 135 -10.485 17.479 -3.133 1.00 37.93 C ATOM 1074 OG1 THR A 135 -9.687 17.737 -4.313 1.00 38.80 O ATOM 1075 CG2 THR A 135 -11.594 16.465 -3.484 1.00 39.04 C ATOM 0 H THR A 135 -12.186 19.082 -4.202 1.00 33.81 H new ATOM 0 HA THR A 135 -11.409 18.597 -1.672 1.00 35.43 H new ATOM 0 HB THR A 135 -9.911 17.112 -2.443 1.00 37.93 H new ATOM 0 HG1 THR A 135 -9.153 17.100 -4.435 1.00 38.80 H new ATOM 0 HG21 THR A 135 -11.192 15.653 -3.831 1.00 39.04 H new ATOM 0 HG22 THR A 135 -12.106 16.256 -2.687 1.00 39.04 H new ATOM 0 HG23 THR A 135 -12.182 16.847 -4.155 1.00 39.04 H new ATOM 1076 N MET A 136 -9.125 19.789 -1.621 1.00 33.77 N ATOM 1077 CA MET A 136 -8.041 20.733 -1.560 1.00 33.40 C ATOM 1078 C MET A 136 -6.770 19.991 -1.224 1.00 32.06 C ATOM 1079 O MET A 136 -6.824 18.904 -0.674 1.00 34.24 O ATOM 1080 CB MET A 136 -8.333 21.791 -0.498 1.00 37.32 C ATOM 1081 CG MET A 136 -9.327 22.873 -0.907 1.00 37.75 C ATOM 1082 SD MET A 136 -9.194 24.297 0.215 1.00 41.45 S ATOM 1083 CE MET A 136 -9.922 23.628 1.718 1.00 42.01 C ATOM 0 H MET A 136 -9.097 19.168 -1.026 1.00 33.77 H new ATOM 0 HA MET A 136 -7.941 21.178 -2.416 1.00 33.40 H new ATOM 0 HB2 MET A 136 -8.671 21.346 0.295 1.00 37.32 H new ATOM 0 HB3 MET A 136 -7.498 22.218 -0.250 1.00 37.32 H new ATOM 0 HG2 MET A 136 -9.154 23.153 -1.819 1.00 37.75 H new ATOM 0 HG3 MET A 136 -10.230 22.518 -0.886 1.00 37.75 H new ATOM 0 HE1 MET A 136 -10.410 24.327 2.181 1.00 42.01 H new ATOM 0 HE2 MET A 136 -10.530 22.907 1.490 1.00 42.01 H new ATOM 0 HE3 MET A 136 -9.220 23.289 2.295 1.00 42.01 H new ATOM 1084 N MET A 137 -5.633 20.612 -1.512 1.00 31.84 N ATOM 1085 CA MET A 137 -4.331 19.939 -1.500 1.00 33.52 C ATOM 1086 C MET A 137 -3.359 20.693 -0.611 1.00 32.18 C ATOM 1087 O MET A 137 -3.382 21.911 -0.563 1.00 30.13 O ATOM 1088 CB MET A 137 -3.791 19.829 -2.958 1.00 36.28 C ATOM 1089 CG MET A 137 -2.456 19.106 -3.154 1.00 39.35 C ATOM 1090 SD MET A 137 -0.924 19.979 -2.716 1.00 42.99 S ATOM 1091 CE MET A 137 -0.825 21.136 -4.088 1.00 46.15 C ATOM 0 H MET A 137 -5.591 21.445 -1.723 1.00 31.84 H new ATOM 0 HA MET A 137 -4.431 19.044 -1.138 1.00 33.52 H new ATOM 0 HB2 MET A 137 -4.461 19.375 -3.494 1.00 36.28 H new ATOM 0 HB3 MET A 137 -3.703 20.727 -3.315 1.00 36.28 H new ATOM 0 HG2 MET A 137 -2.486 18.286 -2.637 1.00 39.35 H new ATOM 0 HG3 MET A 137 -2.393 18.851 -4.088 1.00 39.35 H new ATOM 0 HE1 MET A 137 -0.618 22.022 -3.750 1.00 46.15 H new ATOM 0 HE2 MET A 137 -0.128 20.853 -4.701 1.00 46.15 H new ATOM 0 HE3 MET A 137 -1.675 21.159 -4.554 1.00 46.15 H new ATOM 1092 N TYR A 138 -2.532 19.948 0.114 1.00 34.35 N ATOM 1093 CA TYR A 138 -1.392 20.498 0.850 1.00 35.60 C ATOM 1094 C TYR A 138 -0.201 19.588 0.566 1.00 39.00 C ATOM 1095 O TYR A 138 -0.353 18.370 0.459 1.00 35.64 O ATOM 1096 CB TYR A 138 -1.661 20.561 2.345 1.00 35.57 C ATOM 1097 CG TYR A 138 -2.834 19.701 2.832 1.00 35.82 C ATOM 1098 CD1 TYR A 138 -2.624 18.495 3.472 1.00 32.85 C ATOM 1099 CD2 TYR A 138 -4.151 20.130 2.661 1.00 34.69 C ATOM 1100 CE1 TYR A 138 -3.675 17.740 3.914 1.00 32.10 C ATOM 1101 CE2 TYR A 138 -5.207 19.374 3.093 1.00 32.34 C ATOM 1102 CZ TYR A 138 -4.964 18.180 3.726 1.00 32.61 C ATOM 1103 OH TYR A 138 -6.016 17.413 4.168 1.00 32.74 O ATOM 0 H TYR A 138 -2.616 19.096 0.195 1.00 34.35 H new ATOM 0 HA TYR A 138 -1.221 21.408 0.562 1.00 35.60 H new ATOM 0 HB2 TYR A 138 -0.859 20.286 2.816 1.00 35.57 H new ATOM 0 HB3 TYR A 138 -1.831 21.484 2.590 1.00 35.57 H new ATOM 0 HD1 TYR A 138 -1.755 18.192 3.604 1.00 32.85 H new ATOM 0 HD2 TYR A 138 -4.314 20.946 2.245 1.00 34.69 H new ATOM 0 HE1 TYR A 138 -3.518 16.929 4.342 1.00 32.10 H new ATOM 0 HE2 TYR A 138 -6.080 19.666 2.959 1.00 32.34 H new ATOM 0 HH TYR A 138 -5.734 16.655 4.396 1.00 32.74 H new ATOM 1104 N ASN A 139 0.986 20.167 0.422 1.00 41.40 N ATOM 1105 CA ASN A 139 2.165 19.372 0.098 1.00 38.31 C ATOM 1106 C ASN A 139 2.829 18.813 1.333 1.00 36.13 C ATOM 1107 O ASN A 139 3.904 19.239 1.717 1.00 34.51 O ATOM 1108 CB ASN A 139 3.145 20.179 -0.757 1.00 38.33 C ATOM 1109 CG ASN A 139 2.624 20.416 -2.172 1.00 36.25 C ATOM 1110 OD1 ASN A 139 1.749 19.556 -2.629 1.00 33.83 O flip ATOM 1111 ND2 ASN A 139 3.011 21.361 -2.833 1.00 35.80 N flip ATOM 0 H ASN A 139 1.130 21.011 0.507 1.00 41.40 H new ATOM 0 HA ASN A 139 1.870 18.610 -0.425 1.00 38.31 H new ATOM 0 HB2 ASN A 139 3.315 21.033 -0.330 1.00 38.33 H new ATOM 0 HB3 ASN A 139 3.993 19.710 -0.802 1.00 38.33 H new ATOM 0 HD21 ASN A 139 3.587 21.909 -2.504 1.00 35.80 H new ATOM 0 HD22 ASN A 139 2.709 21.481 -3.629 1.00 35.80 H new ATOM 1112 N PHE A 140 2.174 17.809 1.917 1.00 36.38 N ATOM 1113 CA PHE A 140 2.672 17.089 3.112 1.00 36.88 C ATOM 1114 C PHE A 140 2.429 15.559 2.996 1.00 36.76 C ATOM 1115 O PHE A 140 1.345 15.138 2.545 1.00 35.45 O ATOM 1116 CB PHE A 140 2.002 17.634 4.392 1.00 34.87 C ATOM 1117 CG PHE A 140 2.753 17.305 5.661 1.00 31.46 C ATOM 1118 CD1 PHE A 140 3.749 18.148 6.107 1.00 31.61 C ATOM 1119 CD2 PHE A 140 2.478 16.148 6.389 1.00 29.21 C ATOM 1120 CE1 PHE A 140 4.464 17.854 7.248 1.00 31.71 C ATOM 1121 CE2 PHE A 140 3.189 15.849 7.528 1.00 29.39 C ATOM 1122 CZ PHE A 140 4.197 16.703 7.963 1.00 30.11 C ATOM 0 H PHE A 140 1.417 17.517 1.632 1.00 36.38 H new ATOM 0 HA PHE A 140 3.629 17.240 3.166 1.00 36.88 H new ATOM 0 HB2 PHE A 140 1.917 18.597 4.317 1.00 34.87 H new ATOM 0 HB3 PHE A 140 1.104 17.274 4.455 1.00 34.87 H new ATOM 0 HD1 PHE A 140 3.941 18.924 5.632 1.00 31.61 H new ATOM 0 HD2 PHE A 140 1.807 15.572 6.101 1.00 29.21 H new ATOM 0 HE1 PHE A 140 5.130 18.434 7.538 1.00 31.71 H new ATOM 0 HE2 PHE A 140 2.996 15.076 8.007 1.00 29.39 H new ATOM 0 HZ PHE A 140 4.686 16.501 8.728 1.00 30.11 H new ATOM 1123 N PRO A 141 3.431 14.732 3.388 1.00 35.27 N ATOM 1124 CA PRO A 141 3.329 13.282 3.251 1.00 37.76 C ATOM 1125 C PRO A 141 2.353 12.626 4.248 1.00 40.89 C ATOM 1126 O PRO A 141 2.786 11.989 5.207 1.00 40.83 O ATOM 1127 CB PRO A 141 4.779 12.820 3.496 1.00 36.79 C ATOM 1128 CG PRO A 141 5.386 13.867 4.350 1.00 36.50 C ATOM 1129 CD PRO A 141 4.783 15.132 3.821 1.00 36.15 C ATOM 0 HA PRO A 141 2.967 13.025 2.389 1.00 37.76 H new ATOM 0 HB2 PRO A 141 4.801 11.955 3.934 1.00 36.79 H new ATOM 0 HB3 PRO A 141 5.262 12.727 2.660 1.00 36.79 H new ATOM 0 HG2 PRO A 141 5.173 13.733 5.287 1.00 36.50 H new ATOM 0 HG3 PRO A 141 6.353 13.873 4.277 1.00 36.50 H new ATOM 0 HD2 PRO A 141 4.748 15.821 4.503 1.00 36.15 H new ATOM 0 HD3 PRO A 141 5.301 15.490 3.083 1.00 36.15 H new ATOM 1130 N THR A 142 1.055 12.734 4.017 1.00 44.51 N ATOM 1131 CA THR A 142 0.108 12.322 5.060 1.00 46.29 C ATOM 1132 C THR A 142 -0.166 10.806 5.108 1.00 52.29 C ATOM 1133 O THR A 142 -0.596 10.190 4.112 1.00 50.15 O ATOM 1134 CB THR A 142 -1.215 13.086 4.957 1.00 41.21 C ATOM 1135 OG1 THR A 142 -1.759 12.945 3.640 1.00 38.36 O ATOM 1136 CG2 THR A 142 -0.983 14.547 5.261 1.00 40.08 C ATOM 0 H THR A 142 0.703 13.032 3.291 1.00 44.51 H new ATOM 0 HA THR A 142 0.550 12.549 5.893 1.00 46.29 H new ATOM 0 HB THR A 142 -1.844 12.721 5.599 1.00 41.21 H new ATOM 0 HG1 THR A 142 -2.278 12.284 3.620 1.00 38.36 H new ATOM 0 HG21 THR A 142 -1.822 15.029 5.195 1.00 40.08 H new ATOM 0 HG22 THR A 142 -0.628 14.638 6.159 1.00 40.08 H new ATOM 0 HG23 THR A 142 -0.350 14.914 4.624 1.00 40.08 H new ATOM 1137 N LYS A 143 0.076 10.230 6.294 1.00 52.12 N ATOM 1138 CA LYS A 143 -0.081 8.788 6.521 1.00 49.09 C ATOM 1139 C LYS A 143 -1.528 8.365 6.799 1.00 46.91 C ATOM 1140 O LYS A 143 -2.417 9.192 7.016 1.00 43.59 O ATOM 1141 CB LYS A 143 0.853 8.282 7.618 1.00 47.75 C ATOM 1142 CG LYS A 143 1.230 9.303 8.664 1.00 50.50 C ATOM 1143 CD LYS A 143 2.021 8.682 9.803 1.00 52.48 C ATOM 1144 CE LYS A 143 2.176 9.707 10.942 1.00 55.61 C ATOM 1145 NZ LYS A 143 2.588 9.141 12.257 1.00 55.12 N ATOM 0 H LYS A 143 0.336 10.666 6.988 1.00 52.12 H new ATOM 0 HA LYS A 143 0.172 8.367 5.684 1.00 49.09 H new ATOM 0 HB2 LYS A 143 0.431 7.528 8.060 1.00 47.75 H new ATOM 0 HB3 LYS A 143 1.665 7.950 7.204 1.00 47.75 H new ATOM 0 HG2 LYS A 143 1.755 10.008 8.253 1.00 50.50 H new ATOM 0 HG3 LYS A 143 0.426 9.716 9.016 1.00 50.50 H new ATOM 0 HD2 LYS A 143 1.568 7.889 10.129 1.00 52.48 H new ATOM 0 HD3 LYS A 143 2.894 8.401 9.487 1.00 52.48 H new ATOM 0 HE2 LYS A 143 2.830 10.371 10.673 1.00 55.61 H new ATOM 0 HE3 LYS A 143 1.332 10.171 11.057 1.00 55.61 H new ATOM 0 HZ1 LYS A 143 2.654 9.797 12.855 1.00 55.12 H new ATOM 0 HZ2 LYS A 143 1.980 8.551 12.530 1.00 55.12 H new ATOM 0 HZ3 LYS A 143 3.376 8.737 12.173 1.00 55.12 H new ATOM 1146 N ALA A 144 -1.744 7.053 6.753 1.00 45.58 N ATOM 1147 CA ALA A 144 -3.047 6.469 7.020 1.00 44.38 C ATOM 1148 C ALA A 144 -3.344 6.555 8.525 1.00 43.08 C ATOM 1149 O ALA A 144 -2.419 6.638 9.371 1.00 35.80 O ATOM 1150 CB ALA A 144 -3.088 5.031 6.544 1.00 43.61 C ATOM 0 H ALA A 144 -1.134 6.477 6.565 1.00 45.58 H new ATOM 0 HA ALA A 144 -3.727 6.963 6.536 1.00 44.38 H new ATOM 0 HB1 ALA A 144 -3.962 4.654 6.728 1.00 43.61 H new ATOM 0 HB2 ALA A 144 -2.918 5.001 5.590 1.00 43.61 H new ATOM 0 HB3 ALA A 144 -2.410 4.516 7.009 1.00 43.61 H new ATOM 1151 N GLY A 145 -4.641 6.547 8.849 1.00 39.22 N ATOM 1152 CA GLY A 145 -5.097 6.768 10.230 1.00 38.22 C ATOM 1153 C GLY A 145 -5.115 8.261 10.595 1.00 35.03 C ATOM 1154 O GLY A 145 -5.340 8.636 11.767 1.00 35.17 O ATOM 0 H GLY A 145 -5.275 6.415 8.283 1.00 39.22 H new ATOM 0 HA2 GLY A 145 -5.987 6.398 10.340 1.00 38.22 H new ATOM 0 HA3 GLY A 145 -4.514 6.293 10.843 1.00 38.22 H new ATOM 1155 N GLN A 146 -4.877 9.100 9.581 1.00 29.78 N ATOM 1156 CA GLN A 146 -4.928 10.549 9.701 1.00 27.13 C ATOM 1157 C GLN A 146 -6.143 11.138 8.984 1.00 25.67 C ATOM 1158 O GLN A 146 -6.300 12.356 8.938 1.00 23.62 O ATOM 1159 CB GLN A 146 -3.636 11.178 9.164 1.00 26.70 C ATOM 1160 CG GLN A 146 -2.411 10.905 10.043 1.00 26.43 C ATOM 1161 CD GLN A 146 -1.216 11.761 9.679 1.00 24.74 C ATOM 1162 OE1 GLN A 146 -0.987 12.077 8.521 1.00 22.20 O ATOM 1163 NE2 GLN A 146 -0.438 12.115 10.667 1.00 25.07 N ATOM 0 H GLN A 146 -4.678 8.830 8.789 1.00 29.78 H new ATOM 0 HA GLN A 146 -5.014 10.759 10.644 1.00 27.13 H new ATOM 0 HB2 GLN A 146 -3.466 10.839 8.271 1.00 26.70 H new ATOM 0 HB3 GLN A 146 -3.761 12.137 9.084 1.00 26.70 H new ATOM 0 HG2 GLN A 146 -2.644 11.063 10.971 1.00 26.43 H new ATOM 0 HG3 GLN A 146 -2.167 9.969 9.967 1.00 26.43 H new ATOM 0 HE21 GLN A 146 -0.628 11.876 11.471 1.00 25.07 H new ATOM 0 HE22 GLN A 146 0.264 12.587 10.513 1.00 25.07 H new ATOM 1164 N CYS A 147 -6.979 10.279 8.419 1.00 26.17 N ATOM 1165 CA CYS A 147 -8.243 10.726 7.838 1.00 29.26 C ATOM 1166 C CYS A 147 -9.203 11.203 8.945 1.00 28.11 C ATOM 1167 O CYS A 147 -9.323 10.592 10.006 1.00 28.72 O ATOM 1168 CB CYS A 147 -8.928 9.623 6.988 1.00 32.28 C ATOM 1169 SG CYS A 147 -8.123 9.342 5.435 1.00 36.09 S ATOM 0 H CYS A 147 -6.836 9.433 8.360 1.00 26.17 H new ATOM 0 HA CYS A 147 -8.035 11.464 7.245 1.00 29.26 H new ATOM 0 HB2 CYS A 147 -8.942 8.795 7.493 1.00 32.28 H new ATOM 0 HB3 CYS A 147 -9.851 9.873 6.827 1.00 32.28 H new ATOM 1170 N GLY A 148 -9.878 12.309 8.670 1.00 26.62 N ATOM 1171 CA GLY A 148 -10.777 12.940 9.613 1.00 25.25 C ATOM 1172 C GLY A 148 -10.137 14.177 10.166 1.00 24.38 C ATOM 1173 O GLY A 148 -10.828 15.092 10.579 1.00 25.73 O ATOM 0 H GLY A 148 -9.824 12.719 7.916 1.00 26.62 H new ATOM 0 HA2 GLY A 148 -11.613 13.165 9.176 1.00 25.25 H new ATOM 0 HA3 GLY A 148 -10.989 12.325 10.333 1.00 25.25 H new ATOM 1174 N GLY A 149 -8.808 14.180 10.180 1.00 24.16 N ATOM 1175 CA GLY A 149 -7.986 15.270 10.728 1.00 23.69 C ATOM 1176 C GLY A 149 -8.423 16.631 10.240 1.00 23.45 C ATOM 1177 O GLY A 149 -8.805 16.787 9.076 1.00 24.03 O ATOM 0 H GLY A 149 -8.341 13.531 9.863 1.00 24.16 H new ATOM 0 HA2 GLY A 149 -8.031 15.248 11.697 1.00 23.69 H new ATOM 0 HA3 GLY A 149 -7.059 15.125 10.483 1.00 23.69 H new ATOM 1178 N VAL A 150 -8.360 17.627 11.125 1.00 22.70 N ATOM 1179 CA VAL A 150 -9.013 18.901 10.852 1.00 22.09 C ATOM 1180 C VAL A 150 -8.015 19.936 10.392 1.00 24.44 C ATOM 1181 O VAL A 150 -7.058 20.278 11.114 1.00 27.19 O ATOM 1182 CB VAL A 150 -9.827 19.404 12.055 1.00 20.72 C ATOM 1183 CG1 VAL A 150 -10.698 20.551 11.610 1.00 21.39 C ATOM 1184 CG2 VAL A 150 -10.721 18.284 12.612 1.00 19.44 C ATOM 0 H VAL A 150 -7.949 17.584 11.879 1.00 22.70 H new ATOM 0 HA VAL A 150 -9.642 18.750 10.130 1.00 22.09 H new ATOM 0 HB VAL A 150 -9.215 19.691 12.751 1.00 20.72 H new ATOM 0 HG11 VAL A 150 -11.216 20.875 12.363 1.00 21.39 H new ATOM 0 HG12 VAL A 150 -10.140 21.268 11.269 1.00 21.39 H new ATOM 0 HG13 VAL A 150 -11.299 20.249 10.911 1.00 21.39 H new ATOM 0 HG21 VAL A 150 -11.226 18.619 13.369 1.00 19.44 H new ATOM 0 HG22 VAL A 150 -11.334 17.985 11.922 1.00 19.44 H new ATOM 0 HG23 VAL A 150 -10.168 17.540 12.897 1.00 19.44 H new ATOM 1185 N VAL A 151 -8.233 20.427 9.172 1.00 25.94 N ATOM 1186 CA VAL A 151 -7.372 21.456 8.582 1.00 27.13 C ATOM 1187 C VAL A 151 -7.780 22.827 9.119 1.00 28.44 C ATOM 1188 O VAL A 151 -8.885 23.288 8.865 1.00 28.93 O ATOM 1189 CB VAL A 151 -7.452 21.452 7.039 1.00 26.90 C ATOM 1190 CG1 VAL A 151 -6.292 22.223 6.434 1.00 26.45 C ATOM 1191 CG2 VAL A 151 -7.450 20.037 6.494 1.00 27.14 C ATOM 0 H VAL A 151 -8.880 20.175 8.665 1.00 25.94 H new ATOM 0 HA VAL A 151 -6.455 21.261 8.830 1.00 27.13 H new ATOM 0 HB VAL A 151 -8.285 21.883 6.793 1.00 26.90 H new ATOM 0 HG11 VAL A 151 -6.362 22.207 5.467 1.00 26.45 H new ATOM 0 HG12 VAL A 151 -6.317 23.142 6.745 1.00 26.45 H new ATOM 0 HG13 VAL A 151 -5.455 21.813 6.704 1.00 26.45 H new ATOM 0 HG21 VAL A 151 -7.501 20.063 5.526 1.00 27.14 H new ATOM 0 HG22 VAL A 151 -6.633 19.588 6.763 1.00 27.14 H new ATOM 0 HG23 VAL A 151 -8.215 19.554 6.845 1.00 27.14 H new ATOM 1192 N THR A 152 -6.894 23.484 9.867 1.00 30.67 N ATOM 1193 CA THR A 152 -7.220 24.803 10.437 1.00 33.38 C ATOM 1194 C THR A 152 -6.168 25.910 10.181 1.00 35.37 C ATOM 1195 O THR A 152 -4.985 25.668 10.254 1.00 34.31 O ATOM 1196 CB THR A 152 -7.453 24.699 11.951 1.00 33.18 C ATOM 1197 OG1 THR A 152 -6.325 24.080 12.574 1.00 30.28 O ATOM 1198 CG2 THR A 152 -8.677 23.875 12.229 1.00 36.09 C ATOM 0 H THR A 152 -6.108 23.193 10.057 1.00 30.67 H new ATOM 0 HA THR A 152 -8.027 25.070 9.970 1.00 33.38 H new ATOM 0 HB THR A 152 -7.576 25.593 12.308 1.00 33.18 H new ATOM 0 HG1 THR A 152 -6.456 24.026 13.402 1.00 30.28 H new ATOM 0 HG21 THR A 152 -8.816 23.815 13.187 1.00 36.09 H new ATOM 0 HG22 THR A 152 -9.449 24.293 11.816 1.00 36.09 H new ATOM 0 HG23 THR A 152 -8.558 22.984 11.864 1.00 36.09 H new ATOM 1199 N SER A 153 -6.626 27.128 9.895 1.00 37.27 N ATOM 1200 CA SER A 153 -5.755 28.301 9.838 1.00 38.21 C ATOM 1201 C SER A 153 -6.400 29.551 10.427 1.00 37.09 C ATOM 1202 O SER A 153 -7.470 29.998 9.965 1.00 40.10 O ATOM 1203 CB SER A 153 -5.347 28.609 8.376 1.00 41.07 C ATOM 1204 OG SER A 153 -4.329 29.608 8.314 1.00 38.47 O ATOM 0 H SER A 153 -7.452 27.297 9.728 1.00 37.27 H new ATOM 0 HA SER A 153 -4.977 28.078 10.372 1.00 38.21 H new ATOM 0 HB2 SER A 153 -5.031 27.797 7.950 1.00 41.07 H new ATOM 0 HB3 SER A 153 -6.124 28.907 7.878 1.00 41.07 H new ATOM 0 HG SER A 153 -3.694 29.332 7.839 1.00 38.47 H new ATOM 1205 N VAL A 154 -5.726 30.130 11.428 1.00 34.78 N ATOM 1206 CA VAL A 154 -6.069 31.447 12.008 1.00 33.42 C ATOM 1207 C VAL A 154 -7.474 31.596 12.575 1.00 30.55 C ATOM 1208 O VAL A 154 -8.050 32.685 12.538 1.00 27.72 O ATOM 1209 CB VAL A 154 -5.853 32.588 10.983 1.00 34.95 C ATOM 1210 CG1 VAL A 154 -4.366 32.842 10.788 1.00 35.47 C ATOM 1211 CG2 VAL A 154 -6.523 32.285 9.668 1.00 36.37 C ATOM 0 H VAL A 154 -5.042 29.764 11.799 1.00 34.78 H new ATOM 0 HA VAL A 154 -5.460 31.509 12.760 1.00 33.42 H new ATOM 0 HB VAL A 154 -6.264 33.392 11.337 1.00 34.95 H new ATOM 0 HG11 VAL A 154 -4.241 33.557 10.145 1.00 35.47 H new ATOM 0 HG12 VAL A 154 -3.967 33.096 11.635 1.00 35.47 H new ATOM 0 HG13 VAL A 154 -3.940 32.035 10.460 1.00 35.47 H new ATOM 0 HG21 VAL A 154 -6.369 33.017 9.050 1.00 36.37 H new ATOM 0 HG22 VAL A 154 -6.155 31.467 9.298 1.00 36.37 H new ATOM 0 HG23 VAL A 154 -7.477 32.176 9.808 1.00 36.37 H new ATOM 1212 N GLY A 155 -7.999 30.516 13.136 1.00 30.59 N ATOM 1213 CA GLY A 155 -9.335 30.524 13.723 1.00 30.41 C ATOM 1214 C GLY A 155 -10.354 30.186 12.690 1.00 29.03 C ATOM 1215 O GLY A 155 -11.523 30.484 12.840 1.00 29.38 O ATOM 0 H GLY A 155 -7.594 29.759 13.188 1.00 30.59 H new ATOM 0 HA2 GLY A 155 -9.379 29.885 14.451 1.00 30.41 H new ATOM 0 HA3 GLY A 155 -9.525 31.397 14.100 1.00 30.41 H new ATOM 1216 N LYS A 156 -9.890 29.599 11.608 1.00 30.40 N ATOM 1217 CA LYS A 156 -10.792 29.047 10.620 1.00 33.63 C ATOM 1218 C LYS A 156 -10.607 27.524 10.452 1.00 34.50 C ATOM 1219 O LYS A 156 -9.489 26.974 10.547 1.00 31.81 O ATOM 1220 CB LYS A 156 -10.664 29.752 9.287 1.00 35.69 C ATOM 1221 CG LYS A 156 -11.569 30.976 9.160 1.00 36.54 C ATOM 1222 CD LYS A 156 -10.827 31.996 8.327 1.00 39.48 C ATOM 1223 CE LYS A 156 -9.383 32.062 8.869 1.00 40.84 C ATOM 1224 NZ LYS A 156 -8.376 32.200 7.775 1.00 40.98 N ATOM 0 H LYS A 156 -9.055 29.509 11.425 1.00 30.40 H new ATOM 0 HA LYS A 156 -11.690 29.198 10.953 1.00 33.63 H new ATOM 0 HB2 LYS A 156 -9.742 30.025 9.160 1.00 35.69 H new ATOM 0 HB3 LYS A 156 -10.875 29.127 8.576 1.00 35.69 H new ATOM 0 HG2 LYS A 156 -12.410 30.738 8.740 1.00 36.54 H new ATOM 0 HG3 LYS A 156 -11.781 31.337 10.035 1.00 36.54 H new ATOM 0 HD2 LYS A 156 -10.830 31.742 7.391 1.00 39.48 H new ATOM 0 HD3 LYS A 156 -11.255 32.864 8.387 1.00 39.48 H new ATOM 0 HE2 LYS A 156 -9.302 32.813 9.478 1.00 40.84 H new ATOM 0 HE3 LYS A 156 -9.194 31.260 9.381 1.00 40.84 H new ATOM 0 HZ1 LYS A 156 -7.783 31.539 7.832 1.00 40.98 H new ATOM 0 HZ2 LYS A 156 -8.787 32.162 6.986 1.00 40.98 H new ATOM 0 HZ3 LYS A 156 -7.957 32.981 7.854 1.00 40.98 H new ATOM 1225 N VAL A 157 -11.740 26.855 10.238 1.00 33.54 N ATOM 1226 CA VAL A 157 -11.776 25.410 10.111 1.00 32.49 C ATOM 1227 C VAL A 157 -12.170 25.123 8.670 1.00 32.47 C ATOM 1228 O VAL A 157 -13.321 25.358 8.262 1.00 29.36 O ATOM 1229 CB VAL A 157 -12.774 24.812 11.128 1.00 32.24 C ATOM 1230 CG1 VAL A 157 -12.987 23.317 10.886 1.00 31.80 C ATOM 1231 CG2 VAL A 157 -12.301 25.090 12.553 1.00 31.38 C ATOM 0 H VAL A 157 -12.509 27.233 10.163 1.00 33.54 H new ATOM 0 HA VAL A 157 -10.919 25.001 10.307 1.00 32.49 H new ATOM 0 HB VAL A 157 -13.634 25.243 11.005 1.00 32.24 H new ATOM 0 HG11 VAL A 157 -13.616 22.970 11.537 1.00 31.80 H new ATOM 0 HG12 VAL A 157 -13.339 23.181 9.992 1.00 31.80 H new ATOM 0 HG13 VAL A 157 -12.141 22.851 10.974 1.00 31.80 H new ATOM 0 HG21 VAL A 157 -12.933 24.711 13.184 1.00 31.38 H new ATOM 0 HG22 VAL A 157 -11.429 24.688 12.689 1.00 31.38 H new ATOM 0 HG23 VAL A 157 -12.240 26.048 12.693 1.00 31.38 H new ATOM 1232 N ILE A 158 -11.213 24.612 7.899 1.00 34.72 N ATOM 1233 CA ILE A 158 -11.351 24.628 6.422 1.00 36.32 C ATOM 1234 C ILE A 158 -11.473 23.286 5.692 1.00 30.24 C ATOM 1235 O ILE A 158 -12.077 23.225 4.615 1.00 30.49 O ATOM 1236 CB ILE A 158 -10.272 25.522 5.768 1.00 41.22 C ATOM 1237 CG1 ILE A 158 -8.871 25.120 6.225 1.00 41.54 C ATOM 1238 CG2 ILE A 158 -10.545 26.997 6.138 1.00 44.38 C ATOM 1239 CD1 ILE A 158 -7.810 25.445 5.203 1.00 43.94 C ATOM 0 H ILE A 158 -10.487 24.256 8.193 1.00 34.72 H new ATOM 0 HA ILE A 158 -12.234 25.011 6.302 1.00 36.32 H new ATOM 0 HB ILE A 158 -10.315 25.409 4.806 1.00 41.22 H new ATOM 0 HG12 ILE A 158 -8.663 25.574 7.057 1.00 41.54 H new ATOM 0 HG13 ILE A 158 -8.856 24.168 6.410 1.00 41.54 H new ATOM 0 HG21 ILE A 158 -9.871 27.563 5.730 1.00 44.38 H new ATOM 0 HG22 ILE A 158 -11.422 27.255 5.814 1.00 44.38 H new ATOM 0 HG23 ILE A 158 -10.513 27.100 7.102 1.00 44.38 H new ATOM 0 HD11 ILE A 158 -6.942 25.172 5.539 1.00 43.94 H new ATOM 0 HD12 ILE A 158 -8.000 24.972 4.377 1.00 43.94 H new ATOM 0 HD13 ILE A 158 -7.805 26.400 5.034 1.00 43.94 H new ATOM 1240 N GLY A 159 -10.977 22.208 6.272 1.00 25.42 N ATOM 1241 CA GLY A 159 -11.170 20.923 5.631 1.00 24.68 C ATOM 1242 C GLY A 159 -11.147 19.748 6.577 1.00 24.78 C ATOM 1243 O GLY A 159 -10.678 19.849 7.705 1.00 25.52 O ATOM 0 H GLY A 159 -10.539 22.196 7.012 1.00 25.42 H new ATOM 0 HA2 GLY A 159 -12.019 20.931 5.163 1.00 24.68 H new ATOM 0 HA3 GLY A 159 -10.478 20.800 4.962 1.00 24.68 H new ATOM 1244 N ILE A 160 -11.657 18.628 6.087 1.00 25.04 N ATOM 1245 CA ILE A 160 -11.524 17.328 6.735 1.00 26.59 C ATOM 1246 C ILE A 160 -10.561 16.477 5.902 1.00 27.05 C ATOM 1247 O ILE A 160 -10.761 16.319 4.710 1.00 29.99 O ATOM 1248 CB ILE A 160 -12.920 16.651 6.826 1.00 27.20 C ATOM 1249 CG1 ILE A 160 -13.847 17.452 7.777 1.00 29.34 C ATOM 1250 CG2 ILE A 160 -12.830 15.189 7.249 1.00 26.38 C ATOM 1251 CD1 ILE A 160 -13.214 17.848 9.092 1.00 30.05 C ATOM 0 H ILE A 160 -12.101 18.600 5.351 1.00 25.04 H new ATOM 0 HA ILE A 160 -11.175 17.425 7.635 1.00 26.59 H new ATOM 0 HB ILE A 160 -13.305 16.658 5.936 1.00 27.20 H new ATOM 0 HG12 ILE A 160 -14.143 18.255 7.320 1.00 29.34 H new ATOM 0 HG13 ILE A 160 -14.638 16.922 7.960 1.00 29.34 H new ATOM 0 HG21 ILE A 160 -13.721 14.809 7.292 1.00 26.38 H new ATOM 0 HG22 ILE A 160 -12.300 14.697 6.602 1.00 26.38 H new ATOM 0 HG23 ILE A 160 -12.411 15.130 8.122 1.00 26.38 H new ATOM 0 HD11 ILE A 160 -13.856 18.342 9.625 1.00 30.05 H new ATOM 0 HD12 ILE A 160 -12.941 17.051 9.573 1.00 30.05 H new ATOM 0 HD13 ILE A 160 -12.438 18.405 8.923 1.00 30.05 H new ATOM 1252 N HIS A 161 -9.511 15.936 6.492 1.00 27.31 N ATOM 1253 CA HIS A 161 -8.568 15.154 5.704 1.00 29.92 C ATOM 1254 C HIS A 161 -9.209 13.893 5.144 1.00 29.96 C ATOM 1255 O HIS A 161 -9.859 13.166 5.868 1.00 30.49 O ATOM 1256 CB HIS A 161 -7.325 14.792 6.512 1.00 30.54 C ATOM 1257 CG HIS A 161 -6.300 14.032 5.724 1.00 34.35 C ATOM 1258 ND1 HIS A 161 -5.237 14.646 5.092 1.00 35.39 N ATOM 1259 CD2 HIS A 161 -6.187 12.712 5.446 1.00 35.43 C ATOM 1260 CE1 HIS A 161 -4.510 13.738 4.471 1.00 34.65 C ATOM 1261 NE2 HIS A 161 -5.067 12.558 4.662 1.00 35.51 N ATOM 0 H HIS A 161 -9.325 16.005 7.329 1.00 27.31 H new ATOM 0 HA HIS A 161 -8.299 15.715 4.960 1.00 29.92 H new ATOM 0 HB2 HIS A 161 -6.922 15.605 6.854 1.00 30.54 H new ATOM 0 HB3 HIS A 161 -7.590 14.262 7.280 1.00 30.54 H new ATOM 0 HD2 HIS A 161 -6.759 12.036 5.731 1.00 35.43 H new ATOM 0 HE1 HIS A 161 -3.736 13.902 3.982 1.00 34.65 H new ATOM 0 HE2 HIS A 161 -4.777 11.812 4.347 1.00 35.51 H new ATOM 1262 N ILE A 162 -9.025 13.641 3.850 1.00 32.16 N ATOM 1263 CA ILE A 162 -9.554 12.437 3.226 1.00 34.57 C ATOM 1264 C ILE A 162 -8.556 11.606 2.420 1.00 37.83 C ATOM 1265 O ILE A 162 -8.857 10.475 2.043 1.00 38.05 O ATOM 1266 CB ILE A 162 -10.723 12.769 2.289 1.00 33.43 C ATOM 1267 CG1 ILE A 162 -10.253 13.669 1.155 1.00 34.84 C ATOM 1268 CG2 ILE A 162 -11.849 13.430 3.061 1.00 33.59 C ATOM 1269 CD1 ILE A 162 -11.172 13.663 -0.052 1.00 35.11 C ATOM 0 H ILE A 162 -8.594 14.159 3.316 1.00 32.16 H new ATOM 0 HA ILE A 162 -9.827 11.901 3.987 1.00 34.57 H new ATOM 0 HB ILE A 162 -11.058 11.943 1.907 1.00 33.43 H new ATOM 0 HG12 ILE A 162 -10.173 14.577 1.486 1.00 34.84 H new ATOM 0 HG13 ILE A 162 -9.367 13.389 0.878 1.00 34.84 H new ATOM 0 HG21 ILE A 162 -12.580 13.634 2.457 1.00 33.59 H new ATOM 0 HG22 ILE A 162 -12.162 12.829 3.755 1.00 33.59 H new ATOM 0 HG23 ILE A 162 -11.526 14.250 3.466 1.00 33.59 H new ATOM 0 HD11 ILE A 162 -10.815 14.254 -0.733 1.00 35.11 H new ATOM 0 HD12 ILE A 162 -11.235 12.762 -0.407 1.00 35.11 H new ATOM 0 HD13 ILE A 162 -12.054 13.969 0.211 1.00 35.11 H new ATOM 1270 N GLY A 163 -7.390 12.154 2.119 1.00 43.38 N ATOM 1271 CA GLY A 163 -6.474 11.465 1.208 1.00 46.12 C ATOM 1272 C GLY A 163 -5.015 11.857 1.240 1.00 49.25 C ATOM 1273 O GLY A 163 -4.634 12.871 1.824 1.00 46.78 O ATOM 0 H GLY A 163 -7.109 12.908 2.421 1.00 43.38 H new ATOM 0 HA2 GLY A 163 -6.531 10.514 1.392 1.00 46.12 H new ATOM 0 HA3 GLY A 163 -6.798 11.598 0.303 1.00 46.12 H new ATOM 1274 N GLY A 164 -4.207 11.047 0.562 1.00 57.70 N ATOM 1275 CA GLY A 164 -2.774 11.321 0.423 1.00 59.59 C ATOM 1276 C GLY A 164 -2.090 10.346 -0.507 1.00 58.50 C ATOM 1277 O GLY A 164 -2.545 9.217 -0.640 1.00 60.36 O ATOM 0 H GLY A 164 -4.469 10.327 0.171 1.00 57.70 H new ATOM 0 HA2 GLY A 164 -2.650 12.223 0.090 1.00 59.59 H new ATOM 0 HA3 GLY A 164 -2.353 11.281 1.296 1.00 59.59 H new ATOM 1278 N ASN A 165 -1.031 10.788 -1.184 1.00 58.57 N ATOM 1279 CA ASN A 165 -0.299 9.910 -2.117 1.00 50.91 C ATOM 1280 C ASN A 165 1.124 9.620 -1.635 1.00 51.07 C ATOM 1281 O ASN A 165 1.916 8.973 -2.336 1.00 55.25 O ATOM 1282 CB ASN A 165 -0.299 10.472 -3.543 1.00 42.69 C ATOM 1283 CG ASN A 165 0.088 11.940 -3.597 1.00 37.72 C ATOM 1284 OD1 ASN A 165 0.998 12.391 -2.890 1.00 31.77 O ATOM 1285 ND2 ASN A 165 -0.606 12.689 -4.437 1.00 34.30 N ATOM 0 H ASN A 165 -0.717 11.586 -1.122 1.00 58.57 H new ATOM 0 HA ASN A 165 -0.774 9.065 -2.136 1.00 50.91 H new ATOM 0 HB2 ASN A 165 0.318 9.959 -4.088 1.00 42.69 H new ATOM 0 HB3 ASN A 165 -1.181 10.360 -3.930 1.00 42.69 H new ATOM 0 HD21 ASN A 165 -0.432 13.528 -4.509 1.00 34.30 H new ATOM 0 HD22 ASN A 165 -1.231 12.337 -4.911 1.00 34.30 H new ATOM 1286 N GLY A 166 1.437 10.081 -0.430 1.00 47.56 N ATOM 1287 CA GLY A 166 2.742 9.814 0.161 1.00 43.29 C ATOM 1288 C GLY A 166 3.659 10.997 -0.022 1.00 43.53 C ATOM 1289 O GLY A 166 4.661 11.100 0.660 1.00 43.15 O ATOM 0 H GLY A 166 0.909 10.550 0.061 1.00 47.56 H new ATOM 0 HA2 GLY A 166 2.641 9.620 1.106 1.00 43.29 H new ATOM 0 HA3 GLY A 166 3.134 9.028 -0.250 1.00 43.29 H new ATOM 1290 N ARG A 167 3.331 11.886 -0.951 1.00 44.15 N ATOM 1291 CA ARG A 167 4.021 13.172 -1.039 1.00 46.07 C ATOM 1292 C ARG A 167 3.052 14.311 -0.855 1.00 40.97 C ATOM 1293 O ARG A 167 3.467 15.450 -0.650 1.00 39.93 O ATOM 1294 CB ARG A 167 4.735 13.336 -2.396 1.00 48.79 C ATOM 1295 CG ARG A 167 5.769 12.257 -2.686 1.00 47.33 C ATOM 1296 CD ARG A 167 5.256 11.345 -3.777 1.00 45.85 C ATOM 1297 NE ARG A 167 4.476 12.122 -4.726 1.00 45.83 N ATOM 1298 CZ ARG A 167 3.596 11.596 -5.560 1.00 50.34 C ATOM 1299 NH1 ARG A 167 3.384 10.276 -5.576 1.00 54.80 N ATOM 1300 NH2 ARG A 167 2.924 12.394 -6.378 1.00 48.51 N ATOM 0 H ARG A 167 2.715 11.767 -1.539 1.00 44.15 H new ATOM 0 HA ARG A 167 4.683 13.190 -0.330 1.00 46.07 H new ATOM 0 HB2 ARG A 167 4.071 13.333 -3.103 1.00 48.79 H new ATOM 0 HB3 ARG A 167 5.170 14.203 -2.419 1.00 48.79 H new ATOM 0 HG2 ARG A 167 6.607 12.663 -2.958 1.00 47.33 H new ATOM 0 HG3 ARG A 167 5.950 11.745 -1.882 1.00 47.33 H new ATOM 0 HD2 ARG A 167 5.999 10.914 -4.229 1.00 45.85 H new ATOM 0 HD3 ARG A 167 4.710 10.641 -3.394 1.00 45.85 H new ATOM 0 HE ARG A 167 4.594 12.974 -4.746 1.00 45.83 H new ATOM 0 HH11 ARG A 167 3.821 9.764 -5.041 1.00 54.80 H new ATOM 0 HH12 ARG A 167 2.810 9.939 -6.121 1.00 54.80 H new ATOM 0 HH21 ARG A 167 3.063 13.242 -6.362 1.00 48.51 H new ATOM 0 HH22 ARG A 167 2.349 12.063 -6.925 1.00 48.51 H new ATOM 1301 N GLN A 168 1.759 14.009 -0.948 1.00 38.24 N ATOM 1302 CA GLN A 168 0.737 15.041 -0.857 1.00 37.08 C ATOM 1303 C GLN A 168 -0.482 14.580 -0.075 1.00 40.35 C ATOM 1304 O GLN A 168 -0.769 13.382 0.014 1.00 41.37 O ATOM 1305 CB GLN A 168 0.325 15.530 -2.239 1.00 36.55 C ATOM 1306 CG GLN A 168 1.463 16.213 -3.007 1.00 35.95 C ATOM 1307 CD GLN A 168 1.039 16.645 -4.410 1.00 34.61 C ATOM 1308 OE1 GLN A 168 0.550 15.824 -5.187 1.00 31.53 O ATOM 1309 NE2 GLN A 168 1.217 17.933 -4.739 1.00 33.47 N ATOM 0 H GLN A 168 1.455 13.213 -1.064 1.00 38.24 H new ATOM 0 HA GLN A 168 1.133 15.780 -0.370 1.00 37.08 H new ATOM 0 HB2 GLN A 168 -0.000 14.777 -2.757 1.00 36.55 H new ATOM 0 HB3 GLN A 168 -0.414 16.152 -2.148 1.00 36.55 H new ATOM 0 HG2 GLN A 168 1.766 16.989 -2.510 1.00 35.95 H new ATOM 0 HG3 GLN A 168 2.217 15.606 -3.072 1.00 35.95 H new ATOM 0 HE21 GLN A 168 1.562 18.478 -4.170 1.00 33.47 H new ATOM 0 HE22 GLN A 168 0.986 18.214 -5.519 1.00 33.47 H new ATOM 1310 N GLY A 169 -1.170 15.554 0.529 1.00 41.94 N ATOM 1311 CA GLY A 169 -2.399 15.335 1.279 1.00 37.01 C ATOM 1312 C GLY A 169 -3.521 16.136 0.640 1.00 37.58 C ATOM 1313 O GLY A 169 -3.301 17.195 0.047 1.00 33.05 O ATOM 0 H GLY A 169 -0.925 16.378 0.510 1.00 41.94 H new ATOM 0 HA2 GLY A 169 -2.623 14.391 1.286 1.00 37.01 H new ATOM 0 HA3 GLY A 169 -2.280 15.605 2.203 1.00 37.01 H new ATOM 1314 N PHE A 170 -4.737 15.623 0.746 1.00 37.71 N ATOM 1315 CA PHE A 170 -5.879 16.308 0.227 1.00 39.91 C ATOM 1316 C PHE A 170 -7.003 16.214 1.225 1.00 38.99 C ATOM 1317 O PHE A 170 -7.150 15.209 1.912 1.00 38.66 O ATOM 1318 CB PHE A 170 -6.291 15.682 -1.089 1.00 48.38 C ATOM 1319 CG PHE A 170 -5.143 15.469 -2.036 1.00 53.98 C ATOM 1320 CD1 PHE A 170 -4.713 16.490 -2.861 1.00 54.95 C ATOM 1321 CD2 PHE A 170 -4.495 14.244 -2.090 1.00 57.50 C ATOM 1322 CE1 PHE A 170 -3.661 16.293 -3.729 1.00 58.19 C ATOM 1323 CE2 PHE A 170 -3.431 14.039 -2.942 1.00 61.85 C ATOM 1324 CZ PHE A 170 -3.011 15.070 -3.770 1.00 62.39 C ATOM 0 H PHE A 170 -4.912 14.869 1.122 1.00 37.71 H new ATOM 0 HA PHE A 170 -5.665 17.242 0.074 1.00 39.91 H new ATOM 0 HB2 PHE A 170 -6.719 14.829 -0.914 1.00 48.38 H new ATOM 0 HB3 PHE A 170 -6.952 16.249 -1.516 1.00 48.38 H new ATOM 0 HD1 PHE A 170 -5.137 17.317 -2.830 1.00 54.95 H new ATOM 0 HD2 PHE A 170 -4.783 13.550 -1.542 1.00 57.50 H new ATOM 0 HE1 PHE A 170 -3.386 16.983 -4.289 1.00 58.19 H new ATOM 0 HE2 PHE A 170 -2.998 13.216 -2.962 1.00 61.85 H new ATOM 0 HZ PHE A 170 -2.296 14.941 -4.350 1.00 62.39 H new ATOM 1325 N CYS A 171 -7.798 17.272 1.322 1.00 37.79 N ATOM 1326 CA CYS A 171 -8.893 17.288 2.288 1.00 35.46 C ATOM 1327 C CYS A 171 -10.119 17.683 1.561 1.00 33.50 C ATOM 1328 O CYS A 171 -10.040 18.304 0.511 1.00 33.73 O ATOM 1329 CB CYS A 171 -8.657 18.303 3.387 1.00 34.58 C ATOM 1330 SG CYS A 171 -8.825 19.987 2.777 1.00 32.02 S ATOM 0 H CYS A 171 -7.724 17.984 0.845 1.00 37.79 H new ATOM 0 HA CYS A 171 -8.966 16.410 2.693 1.00 35.46 H new ATOM 0 HB2 CYS A 171 -9.289 18.154 4.108 1.00 34.58 H new ATOM 0 HB3 CYS A 171 -7.769 18.179 3.758 1.00 34.58 H new ATOM 0 HG CYS A 171 -8.113 20.716 3.411 1.00 32.02 H new ATOM 1331 N ALA A 172 -11.256 17.308 2.107 1.00 31.81 N ATOM 1332 CA ALA A 172 -12.509 17.706 1.530 1.00 34.32 C ATOM 1333 C ALA A 172 -12.824 19.016 2.205 1.00 32.29 C ATOM 1334 O ALA A 172 -12.872 19.084 3.418 1.00 38.06 O ATOM 1335 CB ALA A 172 -13.588 16.672 1.798 1.00 36.90 C ATOM 0 H ALA A 172 -11.320 16.822 2.813 1.00 31.81 H new ATOM 0 HA ALA A 172 -12.465 17.790 0.565 1.00 34.32 H new ATOM 0 HB1 ALA A 172 -14.422 16.964 1.399 1.00 36.90 H new ATOM 0 HB2 ALA A 172 -13.325 15.822 1.412 1.00 36.90 H new ATOM 0 HB3 ALA A 172 -13.707 16.569 2.755 1.00 36.90 H new ATOM 1336 N GLY A 173 -12.980 20.061 1.415 1.00 29.68 N ATOM 1337 CA GLY A 173 -13.074 21.402 1.945 1.00 29.41 C ATOM 1338 C GLY A 173 -14.407 21.552 2.611 1.00 28.80 C ATOM 1339 O GLY A 173 -15.363 20.896 2.212 1.00 28.10 O ATOM 0 H GLY A 173 -13.034 20.012 0.558 1.00 29.68 H new ATOM 0 HA2 GLY A 173 -12.359 21.565 2.580 1.00 29.41 H new ATOM 0 HA3 GLY A 173 -12.976 22.054 1.234 1.00 29.41 H new ATOM 1340 N LEU A 174 -14.478 22.457 3.591 1.00 28.70 N ATOM 1341 CA LEU A 174 -15.711 22.690 4.338 1.00 28.59 C ATOM 1342 C LEU A 174 -16.431 23.952 3.925 1.00 31.90 C ATOM 1343 O LEU A 174 -15.810 25.005 3.765 1.00 38.06 O ATOM 1344 CB LEU A 174 -15.424 22.729 5.852 1.00 26.41 C ATOM 1345 CG LEU A 174 -15.089 21.399 6.513 1.00 23.52 C ATOM 1346 CD1 LEU A 174 -14.795 21.652 7.963 1.00 23.40 C ATOM 1347 CD2 LEU A 174 -16.246 20.444 6.360 1.00 23.59 C ATOM 0 H LEU A 174 -13.817 22.948 3.838 1.00 28.70 H new ATOM 0 HA LEU A 174 -16.298 21.947 4.129 1.00 28.59 H new ATOM 0 HB2 LEU A 174 -14.686 23.339 6.006 1.00 26.41 H new ATOM 0 HB3 LEU A 174 -16.199 23.104 6.299 1.00 26.41 H new ATOM 0 HG LEU A 174 -14.313 20.998 6.091 1.00 23.52 H new ATOM 0 HD11 LEU A 174 -14.579 20.814 8.401 1.00 23.40 H new ATOM 0 HD12 LEU A 174 -14.043 22.259 8.040 1.00 23.40 H new ATOM 0 HD13 LEU A 174 -15.573 22.047 8.387 1.00 23.40 H new ATOM 0 HD21 LEU A 174 -16.027 19.599 6.783 1.00 23.59 H new ATOM 0 HD22 LEU A 174 -17.035 20.821 6.781 1.00 23.59 H new ATOM 0 HD23 LEU A 174 -16.422 20.297 5.418 1.00 23.59 H new ATOM 1348 N LYS A 175 -17.744 23.830 3.774 1.00 34.27 N ATOM 1349 CA LYS A 175 -18.631 24.944 3.443 1.00 35.68 C ATOM 1350 C LYS A 175 -19.619 25.058 4.590 1.00 34.33 C ATOM 1351 O LYS A 175 -20.143 24.048 5.069 1.00 33.28 O ATOM 1352 CB LYS A 175 -19.412 24.623 2.167 1.00 41.11 C ATOM 1353 CG LYS A 175 -19.248 25.630 1.058 1.00 44.08 C ATOM 1354 CD LYS A 175 -19.493 24.986 -0.305 1.00 45.04 C ATOM 1355 CE LYS A 175 -20.749 25.502 -0.965 1.00 45.29 C ATOM 1356 NZ LYS A 175 -20.436 25.887 -2.371 1.00 49.06 N ATOM 0 H LYS A 175 -18.156 23.080 3.863 1.00 34.27 H new ATOM 0 HA LYS A 175 -18.126 25.761 3.308 1.00 35.68 H new ATOM 0 HB2 LYS A 175 -19.132 23.753 1.841 1.00 41.11 H new ATOM 0 HB3 LYS A 175 -20.354 24.554 2.388 1.00 41.11 H new ATOM 0 HG2 LYS A 175 -19.868 26.364 1.189 1.00 44.08 H new ATOM 0 HG3 LYS A 175 -18.354 26.005 1.086 1.00 44.08 H new ATOM 0 HD2 LYS A 175 -18.733 25.157 -0.883 1.00 45.04 H new ATOM 0 HD3 LYS A 175 -19.558 24.024 -0.199 1.00 45.04 H new ATOM 0 HE2 LYS A 175 -21.439 24.821 -0.950 1.00 45.29 H new ATOM 0 HE3 LYS A 175 -21.094 26.266 -0.477 1.00 45.29 H new ATOM 0 HZ1 LYS A 175 -21.173 26.192 -2.766 1.00 49.06 H new ATOM 0 HZ2 LYS A 175 -19.813 26.523 -2.373 1.00 49.06 H new ATOM 0 HZ3 LYS A 175 -20.135 25.176 -2.814 1.00 49.06 H new ATOM 1357 N ARG A 176 -19.900 26.271 5.038 1.00 34.08 N ATOM 1358 CA ARG A 176 -20.824 26.440 6.166 1.00 33.28 C ATOM 1359 C ARG A 176 -22.259 25.979 5.888 1.00 33.43 C ATOM 1360 O ARG A 176 -22.988 25.641 6.818 1.00 34.50 O ATOM 1361 CB ARG A 176 -20.839 27.890 6.614 1.00 33.72 C ATOM 1362 CG ARG A 176 -21.479 28.102 7.978 1.00 34.68 C ATOM 1363 CD ARG A 176 -21.648 29.578 8.244 1.00 36.24 C ATOM 1364 NE ARG A 176 -20.388 30.219 8.589 1.00 35.69 N ATOM 1365 CZ ARG A 176 -20.177 31.524 8.527 1.00 36.36 C ATOM 1366 NH1 ARG A 176 -21.131 32.350 8.108 1.00 33.64 N ATOM 1367 NH2 ARG A 176 -18.995 32.008 8.870 1.00 38.63 N ATOM 0 H ARG A 176 -19.578 27.000 4.716 1.00 34.08 H new ATOM 0 HA ARG A 176 -20.485 25.862 6.867 1.00 33.28 H new ATOM 0 HB2 ARG A 176 -19.928 28.222 6.638 1.00 33.72 H new ATOM 0 HB3 ARG A 176 -21.317 28.419 5.956 1.00 33.72 H new ATOM 0 HG2 ARG A 176 -22.341 27.659 8.012 1.00 34.68 H new ATOM 0 HG3 ARG A 176 -20.927 27.702 8.668 1.00 34.68 H new ATOM 0 HD2 ARG A 176 -22.023 30.006 7.459 1.00 36.24 H new ATOM 0 HD3 ARG A 176 -22.283 29.705 8.967 1.00 36.24 H new ATOM 0 HE ARG A 176 -19.739 29.718 8.850 1.00 35.69 H new ATOM 0 HH11 ARG A 176 -21.897 32.038 7.873 1.00 33.64 H new ATOM 0 HH12 ARG A 176 -20.982 33.196 8.072 1.00 33.64 H new ATOM 0 HH21 ARG A 176 -18.372 31.476 9.130 1.00 38.63 H new ATOM 0 HH22 ARG A 176 -18.850 32.855 8.833 1.00 38.63 H new ATOM 1368 N SER A 177 -22.667 25.977 4.629 1.00 35.36 N ATOM 1369 CA SER A 177 -24.014 25.542 4.257 1.00 35.92 C ATOM 1370 C SER A 177 -24.233 24.065 4.577 1.00 35.37 C ATOM 1371 O SER A 177 -25.379 23.651 4.796 1.00 32.98 O ATOM 1372 CB SER A 177 -24.266 25.804 2.765 1.00 35.63 C ATOM 1373 OG SER A 177 -23.060 26.193 2.108 1.00 37.99 O ATOM 0 H SER A 177 -22.179 26.225 3.966 1.00 35.36 H new ATOM 0 HA SER A 177 -24.647 26.058 4.781 1.00 35.92 H new ATOM 0 HB2 SER A 177 -24.623 25.005 2.348 1.00 35.63 H new ATOM 0 HB3 SER A 177 -24.934 26.500 2.663 1.00 35.63 H new ATOM 0 HG SER A 177 -23.216 26.331 1.294 1.00 37.99 H new ATOM 1374 N TYR A 178 -23.142 23.284 4.603 1.00 32.44 N ATOM 1375 CA TYR A 178 -23.235 21.852 4.814 1.00 31.48 C ATOM 1376 C TYR A 178 -23.889 21.578 6.132 1.00 32.08 C ATOM 1377 O TYR A 178 -24.596 20.581 6.289 1.00 29.21 O ATOM 1378 CB TYR A 178 -21.856 21.204 4.859 1.00 33.35 C ATOM 1379 CG TYR A 178 -21.101 21.102 3.564 1.00 34.29 C ATOM 1380 CD1 TYR A 178 -21.757 21.058 2.340 1.00 35.47 C ATOM 1381 CD2 TYR A 178 -19.724 21.015 3.575 1.00 36.78 C ATOM 1382 CE1 TYR A 178 -21.051 20.980 1.153 1.00 35.31 C ATOM 1383 CE2 TYR A 178 -19.001 20.918 2.394 1.00 39.43 C ATOM 1384 CZ TYR A 178 -19.668 20.911 1.185 1.00 38.07 C ATOM 1385 OH TYR A 178 -18.921 20.810 0.036 1.00 37.52 O ATOM 0 H TYR A 178 -22.340 23.576 4.499 1.00 32.44 H new ATOM 0 HA TYR A 178 -23.748 21.486 4.076 1.00 31.48 H new ATOM 0 HB2 TYR A 178 -21.310 21.703 5.486 1.00 33.35 H new ATOM 0 HB3 TYR A 178 -21.956 20.309 5.219 1.00 33.35 H new ATOM 0 HD1 TYR A 178 -22.686 21.081 2.318 1.00 35.47 H new ATOM 0 HD2 TYR A 178 -19.272 21.021 4.388 1.00 36.78 H new ATOM 0 HE1 TYR A 178 -21.502 20.974 0.339 1.00 35.31 H new ATOM 0 HE2 TYR A 178 -18.073 20.858 2.417 1.00 39.43 H new ATOM 0 HH TYR A 178 -18.105 20.780 0.234 1.00 37.52 H new ATOM 1386 N PHE A 179 -23.613 22.452 7.103 1.00 34.08 N ATOM 1387 CA PHE A 179 -24.023 22.212 8.510 1.00 35.40 C ATOM 1388 C PHE A 179 -25.227 23.032 9.009 1.00 38.95 C ATOM 1389 O PHE A 179 -25.316 23.320 10.203 1.00 39.30 O ATOM 1390 CB PHE A 179 -22.816 22.412 9.443 1.00 32.61 C ATOM 1391 CG PHE A 179 -21.597 21.601 9.042 1.00 30.81 C ATOM 1392 CD1 PHE A 179 -21.542 20.227 9.285 1.00 29.18 C ATOM 1393 CD2 PHE A 179 -20.518 22.200 8.412 1.00 28.70 C ATOM 1394 CE1 PHE A 179 -20.444 19.490 8.909 1.00 26.98 C ATOM 1395 CE2 PHE A 179 -19.421 21.449 8.023 1.00 28.33 C ATOM 1396 CZ PHE A 179 -19.382 20.096 8.273 1.00 26.70 C ATOM 0 H PHE A 179 -23.191 23.191 6.978 1.00 34.08 H new ATOM 0 HA PHE A 179 -24.334 21.293 8.529 1.00 35.40 H new ATOM 0 HB2 PHE A 179 -22.579 23.353 9.456 1.00 32.61 H new ATOM 0 HB3 PHE A 179 -23.072 22.171 10.347 1.00 32.61 H new ATOM 0 HD1 PHE A 179 -22.256 19.806 9.706 1.00 29.18 H new ATOM 0 HD2 PHE A 179 -20.530 23.115 8.249 1.00 28.70 H new ATOM 0 HE1 PHE A 179 -20.418 18.577 9.085 1.00 26.98 H new ATOM 0 HE2 PHE A 179 -18.708 21.861 7.591 1.00 28.33 H new ATOM 0 HZ PHE A 179 -18.643 19.594 8.014 1.00 26.70 H new ATOM 1397 N ALA A 180 -26.157 23.391 8.126 1.00 41.74 N ATOM 1398 CA ALA A 180 -27.297 24.234 8.538 1.00 44.90 C ATOM 1399 C ALA A 180 -28.557 23.413 8.826 1.00 45.64 C ATOM 1400 O ALA A 180 -29.459 23.873 9.550 1.00 45.85 O ATOM 1401 CB ALA A 180 -27.594 25.311 7.508 1.00 44.14 C ATOM 0 H ALA A 180 -26.154 23.165 7.296 1.00 41.74 H new ATOM 0 HA ALA A 180 -27.032 24.663 9.366 1.00 44.90 H new ATOM 0 HB1 ALA A 180 -28.346 25.846 7.807 1.00 44.14 H new ATOM 0 HB2 ALA A 180 -26.815 25.879 7.400 1.00 44.14 H new ATOM 0 HB3 ALA A 180 -27.811 24.896 6.659 1.00 44.14 H new TER 1402 ALA A 180 HETATM 1403 O25 GHZ A 201 -6.981 5.641 2.091 1.00 48.43 O HETATM 1404 C23 GHZ A 201 -7.326 6.808 1.994 1.00 54.57 C HETATM 1405 C15 GHZ A 201 -8.002 7.125 0.712 1.00 61.71 C HETATM 1406 C16 GHZ A 201 -9.251 6.233 0.708 1.00 61.67 C HETATM 1407 C17 GHZ A 201 -10.421 6.878 0.013 1.00 67.29 C HETATM 1408 C22 GHZ A 201 -10.463 8.259 -0.193 1.00 67.41 C HETATM 1409 C21 GHZ A 201 -11.561 8.834 -0.843 1.00 67.47 C HETATM 1410 C20 GHZ A 201 -12.619 8.042 -1.289 1.00 69.51 C HETATM 1411 C19 GHZ A 201 -12.579 6.662 -1.077 1.00 72.30 C HETATM 1412 C18 GHZ A 201 -11.483 6.078 -0.426 1.00 69.68 C HETATM 1413 N13 GHZ A 201 -7.272 6.735 -0.495 1.00 70.51 N HETATM 1414 C12 GHZ A 201 -6.013 7.074 -0.851 1.00 78.08 C HETATM 1415 O11 GHZ A 201 -5.524 6.536 -2.140 1.00 90.78 O HETATM 1416 C10 GHZ A 201 -4.255 6.842 -2.757 1.00 91.90 C HETATM 1417 C1 GHZ A 201 -4.454 7.758 -3.984 1.00 91.29 C HETATM 1418 O14 GHZ A 201 -5.267 7.794 -0.175 1.00 69.66 O HETATM 1419 N24 GHZ A 201 -7.174 7.735 2.874 1.00 50.99 N HETATM 1420 C26 GHZ A 201 -6.541 7.490 4.185 1.00 48.95 C HETATM 1421 C27 GHZ A 201 -7.705 7.649 5.187 1.00 42.04 C HETATM 1422 O28 GHZ A 201 -7.333 7.033 6.414 1.00 46.46 O HETATM 1423 C29 GHZ A 201 -5.289 8.381 4.377 1.00 50.01 C HETATM 1424 C30 GHZ A 201 -4.311 8.327 3.177 1.00 51.95 C HETATM 1425 C31 GHZ A 201 -3.415 7.075 3.174 1.00 51.88 C HETATM 1426 C32 GHZ A 201 -1.969 7.535 3.226 1.00 50.14 C HETATM 1427 N33 GHZ A 201 -2.132 8.968 3.280 1.00 49.71 N HETATM 1428 C34 GHZ A 201 -3.300 9.427 3.279 1.00 52.21 C HETATM 1429 O1 GHZ A 201 -3.578 10.729 3.353 1.00 56.27 O HETATM 1430 C2 GHZ A 201 -3.920 9.162 -3.711 1.00 84.59 C HETATM 1431 C3 GHZ A 201 -3.846 7.215 -5.282 1.00 88.35 C HETATM 1432 O HOH A 301 -27.095 9.395 25.543 1.00 19.13 O HETATM 1433 O HOH A 302 -29.475 14.573 26.840 1.00 20.66 O HETATM 1434 O HOH A 303 -30.292 9.331 24.562 1.00 19.39 O HETATM 1435 O HOH A 304 -22.303 26.573 21.194 1.00 14.44 O HETATM 1436 O HOH A 305 -18.254 23.132 24.680 1.00 14.01 O HETATM 1437 O HOH A 306 5.587 17.103 0.086 1.00 22.22 O HETATM 1438 O HOH A 307 7.363 11.850 0.080 1.00 24.06 O HETATM 1439 O HOH A 308 -26.004 6.470 22.436 1.00 7.57 O HETATM 1440 O HOH A 309 -13.790 14.539 10.534 1.00 9.19 O HETATM 1441 O HOH A 310 -13.821 31.939 10.946 1.00 24.31 O HETATM 1442 O HOH A 311 -22.337 12.253 26.819 1.00 16.05 O HETATM 1443 O HOH A 312 -3.490 2.585 23.550 1.00 19.14 O HETATM 1444 O HOH A 313 0.000 30.789 18.834 0.50 7.04 O CONECT 1169 1421 CONECT 1403 1404 CONECT 1404 1403 1405 1419 CONECT 1405 1404 1406 1413 CONECT 1406 1405 1407 CONECT 1407 1406 1408 1412 CONECT 1408 1407 1409 CONECT 1409 1408 1410 CONECT 1410 1409 1411 CONECT 1411 1410 1412 CONECT 1412 1407 1411 CONECT 1413 1405 1414 CONECT 1414 1413 1415 1418 CONECT 1415 1414 1416 CONECT 1416 1415 1417 CONECT 1417 1416 1430 1431 CONECT 1418 1414 CONECT 1419 1404 1420 CONECT 1420 1419 1421 1423 CONECT 1421 1169 1420 1422 CONECT 1422 1421 CONECT 1423 1420 1424 CONECT 1424 1423 1425 1428 CONECT 1425 1424 1426 CONECT 1426 1425 1427 CONECT 1427 1426 1428 CONECT 1428 1424 1427 1429 CONECT 1429 1428 CONECT 1430 1417 CONECT 1431 1417 END