USER MOD reduce.3.24.130724 H: found=0, std=0, add=2284, rem=0, adj=78 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER LYASE 14-NOV-08 3F9S TITLE CRYSTAL STRUCTURE OF A PUTATIVE POLYKETIDE CYCLASE (LFERR_0659) FROM TITLE 2 ACIDITHIOBACILLUS FERROOXIDANS ATCC AT 1.76 A RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: PUTATIVE POLYKETIDE CYCLASE; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ACIDITHIOBACILLUS FERROOXIDANS; SOURCE 3 ORGANISM_COMMON: ACIDITHIOBACILLUS FERROOXIDANS NCIB8455; SOURCE 4 ORGANISM_TAXID: 243159; SOURCE 5 STRAIN: ATCC 23270; SOURCE 6 ATCC: 23270; SOURCE 7 GENE: AFE_2539, LFERR_0659; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 0 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 1 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 2 EXPRESSION_SYSTEM_PLASMID: SPEEDET KEYWDS STRUCTURAL GENOMICS, JOINT CENTER FOR STRUCTURAL GENOMICS, JCSG, KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, PSI-2, LYASE EXPDTA X-RAY DIFFRACTION AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) REVDAT 5 02-APR-14 3F9S 1 SOURCE REVDAT 4 13-JUL-11 3F9S 1 VERSN REVDAT 3 23-MAR-11 3F9S 1 HEADER TITLE KEYWDS REVDAT 2 24-FEB-09 3F9S 1 VERSN REVDAT 1 25-NOV-08 3F9S 0 JRNL AUTH JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) JRNL TITL CRYSTAL STRUCTURE OF PUTATIVE POLYKETIDE CYCLASE (AFE_2539) JRNL TITL 2 FROM ACIDITHIOBACILLUS FERROOXIDANS NCIB8455 AT 1.76 A JRNL TITL 3 RESOLUTION JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.76 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD WITH PHASES REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.76 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.43 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.0 REMARK 3 NUMBER OF REFLECTIONS : 26993 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) : 0.172 REMARK 3 R VALUE (WORKING SET) : 0.170 REMARK 3 FREE R VALUE : 0.208 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1358 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) : 1.76 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.81 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1838 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.61 REMARK 3 BIN R VALUE (WORKING SET) : 0.2170 REMARK 3 BIN FREE R VALUE SET COUNT : 99 REMARK 3 BIN FREE R VALUE : 0.2320 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2263 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 12 REMARK 3 SOLVENT ATOMS : 286 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : 18.65 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 29.43 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.11000 REMARK 3 B22 (A**2) : 0.95000 REMARK 3 B33 (A**2) : -1.16000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.63000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.128 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.120 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.081 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.858 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.961 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.936 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2413 ; 0.015 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): 1651 ; 0.003 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3280 ; 1.793 ; 1.935 REMARK 3 BOND ANGLES OTHERS (DEGREES): 4002 ; 1.354 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 301 ; 4.325 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 116 ;32.885 ;23.793 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 397 ; 9.963 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 16 ;13.817 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 345 ; 0.099 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2713 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 517 ; 0.003 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 505 ; 0.191 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 1879 ; 0.164 ; 0.200 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1219 ; 0.176 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): 1369 ; 0.084 ; 0.200 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 340 ; 0.115 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 11 ; 0.104 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): 53 ; 0.210 ; 0.200 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 24 ; 0.105 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1534 ; 1.388 ; 2.000 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 597 ; 0.237 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2344 ; 1.941 ; 4.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1088 ; 3.233 ; 6.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 930 ; 4.384 ; 8.000 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 : 2 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 0 A 142 REMARK 3 ORIGIN FOR THE GROUP (A): 11.9510 18.2560 34.3810 REMARK 3 T TENSOR REMARK 3 T11: -0.1472 T22: -0.1020 REMARK 3 T33: -0.0583 T12: 0.0233 REMARK 3 T13: -0.0316 T23: -0.0177 REMARK 3 L TENSOR REMARK 3 L11: 1.7162 L22: 1.3748 REMARK 3 L33: 1.3603 L12: -0.0282 REMARK 3 L13: -0.0472 L23: -0.1689 REMARK 3 S TENSOR REMARK 3 S11: 0.0760 S12: 0.0377 S13: -0.2555 REMARK 3 S21: 0.0289 S22: -0.0299 S23: -0.1395 REMARK 3 S31: 0.1140 S32: 0.1900 S33: -0.0462 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 6 B 142 REMARK 3 ORIGIN FOR THE GROUP (A): -8.4480 19.0250 47.7070 REMARK 3 T TENSOR REMARK 3 T11: -0.1276 T22: -0.0842 REMARK 3 T33: -0.1156 T12: -0.0137 REMARK 3 T13: -0.0107 T23: 0.0162 REMARK 3 L TENSOR REMARK 3 L11: 0.6719 L22: 0.6829 REMARK 3 L33: 1.1095 L12: -0.2087 REMARK 3 L13: 0.2309 L23: 0.0046 REMARK 3 S TENSOR REMARK 3 S11: 0.0125 S12: -0.1249 S13: -0.0669 REMARK 3 S21: 0.1405 S22: -0.0070 S23: 0.0612 REMARK 3 S31: 0.0063 S32: -0.1506 S33: -0.0056 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH 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: 1. HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS. 2. ATOM RECORDS CONTAIN RESIDUAL B FACTORS REMARK 3 ONLY. 3. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE REMARK 3 INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY OF THE SE REMARK 3 ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 FOR THE REDUCED REMARK 3 SCATTERING POWER DUE TO PARTIAL S-MET INCORPORATION. 4. GOL REMARK 3 MOLECULES FROM THE CRYSTALLIZATION SOLUTION ARE MODELED IN THE REMARK 3 PUTATIVE ACTIVE SITE OF THE PROTEIN AND IT MAY REPRESENT THE REMARK 3 SUBSTRATE OF THE PROTEIN. 5. THE N-TERMINUS OF CHAIN B SHOWS REMARK 3 MULTIPLE ORDER. THIS HAS BEEN MODELED AS TWO CONFORMERS. FOR REMARK 3 CONFORMER A, RESIDUES 3-6 HAVE BEEN MODELED WITH RESIDUES 0-2 REMARK 3 OMITTED DUE TO DISORDER. FOR CONFORMER B, RESIDUES 1-6 HAVE BEEN REMARK 3 MODELED WITH ONLY RESIDUE 0 OMITTED DUE TO DISORDER. REMARK 4 REMARK 4 3F9S COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-NOV-08. REMARK 100 THE RCSB ID CODE IS RCSB050325. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 12-OCT-08 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 23-ID-B REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.94645,0.97967 REMARK 200 MONOCHROMATOR : SI(111) DOUBLE CRYSTAL REMARK 200 MONOCHROMETER REMARK 200 OPTICS : ADJUSTABLE FOCUSING MIRRORS IN K REMARK 200 -B GEOMETRY REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 26997 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.760 REMARK 200 RESOLUTION RANGE LOW (A) : 30.429 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 200 DATA REDUNDANCY : 7.000 REMARK 200 R MERGE (I) : 0.11700 REMARK 200 R SYM (I) : 0.11700 REMARK 200 FOR THE DATA SET : 4.3230 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.73 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.77 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.6 REMARK 200 DATA REDUNDANCY IN SHELL : 3.60 REMARK 200 R MERGE FOR SHELL (I) : 0.44100 REMARK 200 R SYM FOR SHELL (I) : 0.44100 REMARK 200 FOR SHELL : 1.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SHELXD/AUTOSHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.30 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.10 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 5.0000% GLYCEROL, 19.0000% ISO- REMARK 280 PROPANOL, 19.0000% PEG-4000, 0.1M CITRATE PH 5.6, NANODROP, VAPOR REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 24.29700 REMARK 290 SMTRY3 2 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 300 REMARK: AUTHORS STATE THAT CRYSTAL PACKING ANALYSIS SUGGESTS THE REMARK 300 ASSIGNMENT OF A DIMER AS THE SIGNIFICANT OLIGOMERIZATION STATE. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2530 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12670 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ALA A 143 REMARK 465 GLY A 144 REMARK 465 ALA A 145 REMARK 465 GLY B 0 REMARK 465 ALA B 143 REMARK 465 GLY B 144 REMARK 465 ALA B 145 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 34 CD CE NZ REMARK 470 LYS A 105 CG CD CE NZ REMARK 470 GLN B 140 CG CD OE1 NE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG B 16 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES 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 SER A 2 -176.38 68.35 REMARK 500 ASP A 40 80.77 -174.76 REMARK 500 PRO A 98 109.66 -49.05 REMARK 500 SER A 102 109.23 -32.82 REMARK 500 ASP B 40 82.59 -172.42 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 GOL A 146 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL B 146 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 391571 RELATED DB: TARGETDB REMARK 999 REMARK 999 SEQUENCE REMARK 999 THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG REMARK 999 MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING REMARK 999 ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE. DBREF 3F9S A 1 145 UNP B5EMY1 B5EMY1_ACIF5 1 145 DBREF 3F9S B 1 145 UNP B5EMY1 B5EMY1_ACIF5 1 145 SEQADV 3F9S GLY A 0 UNP B5EMY1 LEADER SEQUENCE SEQADV 3F9S GLY B 0 UNP B5EMY1 LEADER SEQUENCE SEQRES 1 A 146 GLY MSE SER ILE SER SER LYS ALA LYS GLU ILE LEU THR SEQRES 2 A 146 GLN PHE THR ARG GLU VAL TRP SER GLU GLY ASN ILE GLU SEQRES 3 A 146 ALA SER ASP LYS TYR ILE ALA PRO LYS TYR THR VAL LEU SEQRES 4 A 146 HIS ASP PRO GLY ASP PRO TRP GLU GLY ARG GLU LEU ASP SEQRES 5 A 146 VAL ALA GLY TYR LYS GLU ARG VAL LYS THR LEU ARG ALA SEQRES 6 A 146 ALA PHE PRO ASP GLN CYS PHE ASP ILE GLN GLY LEU PHE SEQRES 7 A 146 ALA ASP GLY ASP ALA VAL VAL MSE THR TRP LEU TRP THR SEQRES 8 A 146 ALA THR HIS LYS GLU ASP ILE PRO GLY PHE PRO SER THR SEQRES 9 A 146 GLY LYS GLN ILE LYS MSE SER GLY ALA THR VAL TYR TYR SEQRES 10 A 146 PHE ASP GLY ASN ARG LEU THR GLY HIS TRP GLN ILE THR SEQRES 11 A 146 ASP ARG LEU GLY VAL TYR GLN GLN LEU ARG GLN ALA ALA SEQRES 12 A 146 ALA GLY ALA SEQRES 1 B 146 GLY MSE SER ILE SER SER LYS ALA LYS GLU ILE LEU THR SEQRES 2 B 146 GLN PHE THR ARG GLU VAL TRP SER GLU GLY ASN ILE GLU SEQRES 3 B 146 ALA SER ASP LYS TYR ILE ALA PRO LYS TYR THR VAL LEU SEQRES 4 B 146 HIS ASP PRO GLY ASP PRO TRP GLU GLY ARG GLU LEU ASP SEQRES 5 B 146 VAL ALA GLY TYR LYS GLU ARG VAL LYS THR LEU ARG ALA SEQRES 6 B 146 ALA PHE PRO ASP GLN CYS PHE ASP ILE GLN GLY LEU PHE SEQRES 7 B 146 ALA ASP GLY ASP ALA VAL VAL MSE THR TRP LEU TRP THR SEQRES 8 B 146 ALA THR HIS LYS GLU ASP ILE PRO GLY PHE PRO SER THR SEQRES 9 B 146 GLY LYS GLN ILE LYS MSE SER GLY ALA THR VAL TYR TYR SEQRES 10 B 146 PHE ASP GLY ASN ARG LEU THR GLY HIS TRP GLN ILE THR SEQRES 11 B 146 ASP ARG LEU GLY VAL TYR GLN GLN LEU ARG GLN ALA ALA SEQRES 12 B 146 ALA GLY ALA MODRES 3F9S MSE A 1 MET SELENOMETHIONINE MODRES 3F9S MSE A 85 MET SELENOMETHIONINE MODRES 3F9S MSE A 109 MET SELENOMETHIONINE MODRES 3F9S MSE B 1 MET SELENOMETHIONINE MODRES 3F9S MSE B 85 MET SELENOMETHIONINE MODRES 3F9S MSE B 109 MET SELENOMETHIONINE HET MSE A 1 8 HET MSE A 85 8 HET MSE A 109 8 HET MSE B 1 8 HET MSE B 85 8 HET MSE B 109 8 HET GOL A 146 6 HET GOL B 146 6 HETNAM MSE SELENOMETHIONINE HETNAM GOL GLYCEROL HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 1 MSE 6(C5 H11 N O2 SE) FORMUL 3 GOL 2(C3 H8 O3) FORMUL 5 HOH *286(H2 O) HELIX 1 1 LYS A 6 TRP A 19 1 14 HELIX 2 2 ASN A 23 GLU A 25 5 3 HELIX 3 3 ALA A 26 TYR A 30 1 5 HELIX 4 4 ASP A 51 PHE A 66 1 16 HELIX 5 5 ASP A 130 ALA A 142 1 13 HELIX 6 6 LYS B 6 TRP B 19 1 14 HELIX 7 7 ASN B 23 GLU B 25 5 3 HELIX 8 8 ALA B 26 TYR B 30 1 5 HELIX 9 9 ASP B 51 ALA B 64 1 14 HELIX 10 10 ASP B 130 ALA B 142 1 13 SHEET 1 A 5 SER A 2 ILE A 3 0 SHEET 2 A 5 GLN A 106 GLY A 119 1 O GLY A 119 N SER A 2 SHEET 3 A 5 ARG A 121 THR A 129 -1 O TRP A 126 N VAL A 114 SHEET 4 A 5 ILE A 31 HIS A 39 1 N HIS A 39 O GLN A 127 SHEET 5 A 5 GLU A 49 LEU A 50 -1 O LEU A 50 N TYR A 35 SHEET 1 B 4 SER A 2 ILE A 3 0 SHEET 2 B 4 GLN A 106 GLY A 119 1 O GLY A 119 N SER A 2 SHEET 3 B 4 ALA A 82 THR A 92 -1 N ALA A 91 O ILE A 107 SHEET 4 B 4 CYS A 70 ASP A 79 -1 N GLN A 74 O THR A 86 SHEET 1 C 6 GLU B 49 LEU B 50 0 SHEET 2 C 6 ILE B 31 HIS B 39 -1 N TYR B 35 O LEU B 50 SHEET 3 C 6 ARG B 121 THR B 129 1 O GLN B 127 N HIS B 39 SHEET 4 C 6 GLN B 106 ASP B 118 -1 N VAL B 114 O TRP B 126 SHEET 5 C 6 ALA B 82 THR B 92 -1 N ALA B 91 O ILE B 107 SHEET 6 C 6 CYS B 70 ASP B 79 -1 N ASP B 79 O ALA B 82 LINK C GLY A 0 N MSE A 1 1555 1555 1.33 LINK C MSE A 1 N SER A 2 1555 1555 1.33 LINK C VAL A 84 N MSE A 85 1555 1555 1.34 LINK C MSE A 85 N THR A 86 1555 1555 1.31 LINK C LYS A 108 N MSE A 109 1555 1555 1.32 LINK C MSE A 109 N SER A 110 1555 1555 1.32 LINK C BMSE B 1 N BSER B 2 1555 1555 1.33 LINK C VAL B 84 N MSE B 85 1555 1555 1.33 LINK C MSE B 85 N THR B 86 1555 1555 1.32 LINK C LYS B 108 N MSE B 109 1555 1555 1.32 LINK C MSE B 109 N SER B 110 1555 1555 1.32 SITE *** AC1 6 TRP A 19 ARG A 58 TYR A 115 HIS A 125 SITE *** AC1 6 GLN A 127 HOH A 150 SITE *** AC2 9 TRP B 19 ARG B 58 THR B 113 TYR B 115 SITE *** AC2 9 HIS B 125 GLN B 127 HOH B 165 HOH B 221 SITE *** AC2 9 HOH B 253 CRYST1 50.970 48.594 55.967 90.00 94.19 90.00 P 1 21 1 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.019619 0.000000 0.001438 0.00000 SCALE2 0.000000 0.020579 0.000000 0.00000 SCALE3 0.000000 0.000000 0.017916 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 35 TYR OH : rot -90:sc= 2.35 USER MOD Set 1.2: B 125 HIS : +bothHN:sc= 1.64 K(o=4,f=-15!) USER MOD Set 2.1: B 113 THR OG1 : rot -91:sc= 2.08 USER MOD Set 2.2: B 115 TYR OH : rot -72:sc= 1.9 USER MOD Set 2.3: B 127 GLN : amide:sc= 0.593 K(o=6.3,f=1.8!) USER MOD Set 2.4: B 146 GOL O1 : rot 180:sc= 0.491 USER MOD Set 2.5: B 146 GOL O3 : rot 129:sc= 1.22 USER MOD Set 3.1: A 39 HIS : no HD1:sc= 1.9 K(o=3.8,f=-9!) USER MOD Set 3.2: B 110 SER OG : rot -76:sc= 1.91 USER MOD Set 4.1: B 93 HIS : +bothHN:sc= 1.5 K(o=2.8,f=-4.4!) USER MOD Set 4.2: B 103 THR OG1 : rot -139:sc= 1.35 USER MOD Set 5.1: B 90 THR OG1A: rot -87:sc= 0.892 USER MOD Set 5.2: B 92 THR OG1 : rot 115:sc= 2.91 USER MOD Set 5.3: B 106 GLN : amide:sc= 2.29 K(o=6.1,f=3.9) USER MOD Set 6.1: A 110 SER OG : rot 167:sc= 1.75 USER MOD Set 6.2: B 39 HIS : no HE2:sc= 2.37 K(o=4.1,f=-11!) USER MOD Set 7.1: B 29 LYS NZ :NH3+ -165:sc= 0.679 (180deg=0.537) USER MOD Set 7.2: B 30 TYR OH : rot 170:sc= 1.15 USER MOD Set 8.1: B 20 SER OG : rot 144:sc= 2.07 USER MOD Set 8.2: B 70 CYS SG : rot -159:sc= 0.385 USER MOD Set 9.1: A 115 TYR OH : rot -68:sc= 1.77 USER MOD Set 9.2: A 146 GOL O3 : rot -84:sc= 0.684 USER MOD Set10.1: A 113 THR OG1 : rot -130:sc= 1.83 USER MOD Set10.2: A 127 GLN : amide:sc= 0.852 K(o=3.5,f=-4.4!) USER MOD Set10.3: A 146 GOL O1 : rot 150:sc= 0.813 USER MOD Set11.1: A 93 HIS : no HD1:sc= 1.33 K(o=2.7,f=-5.3!) USER MOD Set11.2: A 103 THR OG1 : rot -95:sc= 1.36 USER MOD Set12.1: A 35 TYR OH : rot -68:sc= 2.33 USER MOD Set12.2: A 125 HIS : +bothHN:sc= 2.09 K(o=4.4,f=-14!) USER MOD Set13.1: A 20 SER OG : rot 164:sc= 1.94 USER MOD Set13.2: A 70 CYS SG : rot 180:sc= 0 USER MOD Set14.1: A 13 GLN A: amide:sc= 0.581 K(o=1.1,f=-0.57) USER MOD Set14.2: A 30 TYR OH : rot 23:sc= 0.471 USER MOD Set15.1: A 4 SER OG : rot -117:sc= 1.64 USER MOD Set15.2: A 120 ASN : amide:sc= 0.973 K(o=2.6,f=-2.9!) USER MOD Single : A 0 GLY N :NH3+ -130:sc= 0.0542 (180deg=0) USER MOD Single : A 2 SER OG : rot -149:sc= 1.37 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= -0.103 (180deg=-0.353) USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= 3.36 (180deg=3.13) USER MOD Single : A 12 THR OG1 : rot 72:sc= 2.14 USER MOD Single : A 13 GLN B: amide:sc= -0.993! C(o=-0.99!,f=-2.2!) USER MOD Single : A 15 THR OG1 : rot 80:sc= 1.07 USER MOD Single : A 23 ASN : amide:sc= 0.497 K(o=0.5,f=-1.8) USER MOD Single : A 27 SER OG : rot 90:sc= 1.3 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 1.14 (180deg=1) USER MOD Single : A 36 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 55 TYR OH : rot -71:sc= 2.09 USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= 3.08 (180deg=2.59) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.18) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 1.94 K(o=1.9,f=0.33) USER MOD Single : A 74 GLN : amide:sc= 1.66 X(o=1.7,f=1.9) USER MOD Single : A 86 THR OG1 : rot 156:sc= 1.32 USER MOD Single : A 90 THR OG1 : rot -82:sc= 0.428 USER MOD Single : A 92 THR OG1 : rot 122:sc= 1.23 USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= -1.85 (180deg=-1.96) USER MOD Single : A 102 SER OG : rot 41:sc= 0.556 USER MOD Single : A 106 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1.6!) USER MOD Single : A 108 LYS NZ :NH3+ -165:sc= 0.0709 (180deg=0.0347) USER MOD Single : A 116 TYR OH : rot -17:sc= 1.15 USER MOD Single : A 123 THR OG1 : rot -169:sc= 2.06 USER MOD Single : A 129 THR OG1 : rot -138:sc= 2.21 USER MOD Single : A 135 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 136 GLN : amide:sc= 2.08 K(o=2.1,f=0.36) USER MOD Single : A 137 GLN : amide:sc= 2.14 K(o=2.1,f=-5.2!) USER MOD Single : A 140 GLN : amide:sc= 1.04 K(o=1,f=-0.82) USER MOD Single : A 146 GOL O2 : rot 161:sc= 1.48 USER MOD Single : B 1 MSE N B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG B: rot 21:sc= 0.18 USER MOD Single : B 4 SER OG A: rot 180:sc= 0.171 USER MOD Single : B 4 SER OG B: rot 180:sc= 0.0153 USER MOD Single : B 5 SER OG A: rot 180:sc= 0 USER MOD Single : B 5 SER OG B: rot 176:sc= 1.55 USER MOD Single : B 6 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ B:NH3+ -131:sc=-0.00602 (180deg=-0.623) USER MOD Single : B 8 LYS NZ :NH3+ 172:sc= 2.51 (180deg=2.27) USER MOD Single : B 12 THR OG1 : rot 75:sc= 1.81 USER MOD Single : B 13 GLN : amide:sc= 1.08 K(o=1.1,f=-0.52) USER MOD Single : B 15 THR OG1 : rot 85:sc= 1.91 USER MOD Single : B 23 ASN : amide:sc= 2.43 K(o=2.4,f=0.27) USER MOD Single : B 27 SER OG : rot 91:sc= 0.903 USER MOD Single : B 34 LYS NZ :NH3+ 162:sc= 0.0904 (180deg=-0.0966) USER MOD Single : B 36 THR OG1 : rot 74:sc= 2.02 USER MOD Single : B 55 TYR OH : rot -69:sc= 2.03 USER MOD Single : B 56 LYS NZ :NH3+ -152:sc= 2.29 (180deg=1.59) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 THR OG1 : rot 78:sc= 0.327 USER MOD Single : B 69 GLN : amide:sc= 2.99 K(o=3,f=0.00029!) USER MOD Single : B 74 GLN : amide:sc= -0.0193 X(o=-0.019,f=0.3) USER MOD Single : B 86 THR OG1 : rot 164:sc= 1.28 USER MOD Single : B 90 THR OG1B: rot 81:sc= 0.719 USER MOD Single : B 94 LYS NZ :NH3+ 165:sc= 0.529 (180deg=0.118) USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 105 LYS NZ :NH3+ -167:sc= -0.0462 (180deg=-0.145) USER MOD Single : B 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 116 TYR OH : rot -10:sc= 1.32 USER MOD Single : B 120 ASN : amide:sc= -0.254 K(o=-0.25,f=-3.3!) USER MOD Single : B 123 THR OG1 : rot -159:sc= 1.34 USER MOD Single : B 129 THR OG1 : rot -149:sc= 2.24 USER MOD Single : B 135 TYR OH : rot 150:sc= 0.217 USER MOD Single : B 136 GLN : amide:sc= 2.28 K(o=2.3,f=0.53) USER MOD Single : B 137 GLN : amide:sc= 3.06 K(o=3.1,f=-4!) USER MOD Single : B 146 GOL O2 : rot -91:sc= 1.49 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 7.836 40.388 29.224 1.00 35.08 N ATOM 2 CA GLY A 0 8.219 39.439 28.149 1.00 34.62 C ATOM 3 C GLY A 0 7.109 39.235 27.139 1.00 33.28 C ATOM 4 O GLY A 0 5.993 39.740 27.294 1.00 34.12 O ATOM 0 H1 GLY A 0 8.472 41.003 29.318 1.00 35.08 H new ATOM 0 H2 GLY A 0 7.069 40.785 29.010 1.00 35.08 H new ATOM 0 H3 GLY A 0 7.737 39.945 29.990 1.00 35.08 H new ATOM 0 HA2 GLY A 0 9.010 39.770 27.695 1.00 34.62 H new ATOM 0 HA3 GLY A 0 8.455 38.585 28.544 1.00 34.62 H new HETATM 5 N MSE A 1 7.411 38.417 26.138 1.00 32.45 N HETATM 6 CA MSE A 1 6.518 38.174 25.003 1.00 29.56 C HETATM 7 C MSE A 1 5.331 37.261 25.121 1.00 32.30 C HETATM 8 O MSE A 1 4.486 37.289 24.237 1.00 35.11 O HETATM 9 CB MSE A 1 7.344 37.674 23.807 1.00 26.48 C HETATM 10 CG MSE A 1 8.304 38.727 23.325 1.00 28.11 C HETATM 11 SE MSE A 1 9.028 38.296 21.637 0.75 23.85 SE HETATM 12 CE MSE A 1 9.989 36.752 22.266 1.00 23.55 C HETATM 0 H MSE A 1 8.150 37.980 26.095 1.00 32.45 H new HETATM 0 HA MSE A 1 6.110 39.050 24.917 1.00 29.56 H new HETATM 0 HB2 MSE A 1 7.836 36.878 24.062 1.00 26.48 H new HETATM 0 HB3 MSE A 1 6.749 37.421 23.084 1.00 26.48 H new HETATM 0 HG2 MSE A 1 7.847 39.581 23.272 1.00 28.11 H new HETATM 0 HG3 MSE A 1 9.023 38.829 23.969 1.00 28.11 H new HETATM 0 HE1 MSE A 1 10.465 36.343 21.526 1.00 23.55 H new HETATM 0 HE2 MSE A 1 10.623 37.021 22.949 1.00 23.55 H new HETATM 0 HE3 MSE A 1 9.364 36.112 22.641 1.00 23.55 H new ATOM 13 N SER A 2 5.277 36.410 26.135 1.00 33.96 N ATOM 14 CA SER A 2 4.208 35.398 26.234 1.00 34.60 C ATOM 15 C SER A 2 4.415 34.366 25.104 1.00 33.92 C ATOM 16 O SER A 2 5.400 34.429 24.337 1.00 31.85 O ATOM 17 CB SER A 2 2.769 35.952 26.274 1.00 36.81 C ATOM 18 OG SER A 2 1.868 34.942 26.705 1.00 33.23 O ATOM 0 H SER A 2 5.845 36.394 26.781 1.00 33.96 H new ATOM 0 HA SER A 2 4.292 34.974 27.103 1.00 34.60 H new ATOM 0 HB2 SER A 2 2.724 36.713 26.874 1.00 36.81 H new ATOM 0 HB3 SER A 2 2.513 36.270 25.394 1.00 36.81 H new ATOM 0 HG SER A 2 1.119 35.062 26.344 1.00 33.23 H new ATOM 19 N ILE A 3 3.492 33.425 25.005 1.00 32.18 N ATOM 20 CA ILE A 3 3.717 32.287 24.151 1.00 30.95 C ATOM 21 C ILE A 3 3.564 32.535 22.676 1.00 29.90 C ATOM 22 O ILE A 3 2.889 33.471 22.231 1.00 28.84 O ATOM 23 CB ILE A 3 2.837 31.078 24.521 1.00 31.13 C ATOM 24 CG1 ILE A 3 1.343 31.378 24.332 1.00 34.33 C ATOM 25 CG2 ILE A 3 3.149 30.555 25.918 1.00 30.12 C ATOM 26 CD1 ILE A 3 0.561 30.119 24.397 1.00 43.70 C ATOM 0 H ILE A 3 2.739 33.429 25.420 1.00 32.18 H new ATOM 0 HA ILE A 3 4.653 32.095 24.318 1.00 30.95 H new ATOM 0 HB ILE A 3 3.058 30.365 23.902 1.00 31.13 H new ATOM 0 HG12 ILE A 3 1.039 31.992 25.019 1.00 34.33 H new ATOM 0 HG13 ILE A 3 1.198 31.814 23.478 1.00 34.33 H new ATOM 0 HG21 ILE A 3 2.577 29.797 26.115 1.00 30.12 H new ATOM 0 HG22 ILE A 3 4.078 30.279 25.960 1.00 30.12 H new ATOM 0 HG23 ILE A 3 2.991 31.256 26.569 1.00 30.12 H new ATOM 0 HD11 ILE A 3 -0.381 30.316 24.277 1.00 43.70 H new ATOM 0 HD12 ILE A 3 0.857 29.518 23.696 1.00 43.70 H new ATOM 0 HD13 ILE A 3 0.695 29.699 25.261 1.00 43.70 H new ATOM 27 N SER A 4 4.186 31.648 21.913 1.00 29.83 N ATOM 28 CA SER A 4 3.969 31.628 20.489 1.00 29.82 C ATOM 29 C SER A 4 2.943 30.525 20.273 1.00 28.67 C ATOM 30 O SER A 4 2.634 29.719 21.184 1.00 27.76 O ATOM 31 CB SER A 4 5.246 31.355 19.699 1.00 31.16 C ATOM 32 OG SER A 4 5.549 29.978 19.616 1.00 30.25 O ATOM 0 H SER A 4 4.735 31.054 22.205 1.00 29.83 H new ATOM 0 HA SER A 4 3.665 32.492 20.170 1.00 29.82 H new ATOM 0 HB2 SER A 4 5.152 31.717 18.804 1.00 31.16 H new ATOM 0 HB3 SER A 4 5.987 31.821 20.117 1.00 31.16 H new ATOM 0 HG SER A 4 6.278 29.827 20.005 1.00 30.25 H new ATOM 33 N SER A 5 2.478 30.460 19.036 1.00 28.89 N ATOM 34 CA SER A 5 1.523 29.439 18.591 1.00 29.08 C ATOM 35 C SER A 5 2.011 27.997 18.780 1.00 28.39 C ATOM 36 O SER A 5 1.210 27.066 18.774 1.00 29.42 O ATOM 37 CB SER A 5 1.203 29.639 17.106 1.00 28.32 C ATOM 38 OG SER A 5 2.346 29.438 16.301 1.00 26.83 O ATOM 0 H SER A 5 2.707 31.012 18.418 1.00 28.89 H new ATOM 0 HA SER A 5 0.739 29.556 19.150 1.00 29.08 H new ATOM 0 HB2 SER A 5 0.504 29.022 16.838 1.00 28.32 H new ATOM 0 HB3 SER A 5 0.860 30.535 16.965 1.00 28.32 H new ATOM 0 HG SER A 5 2.144 29.552 15.494 1.00 26.83 H new ATOM 39 N LYS A 6 3.322 27.813 18.912 1.00 26.30 N ATOM 40 CA LYS A 6 3.920 26.493 19.024 1.00 27.12 C ATOM 41 C LYS A 6 4.361 26.070 20.416 1.00 24.04 C ATOM 42 O LYS A 6 5.083 25.091 20.544 1.00 23.38 O ATOM 43 CB LYS A 6 5.060 26.383 18.003 1.00 27.98 C ATOM 44 CG LYS A 6 4.497 26.437 16.590 1.00 27.79 C ATOM 45 CD LYS A 6 5.496 26.079 15.516 1.00 31.83 C ATOM 46 CE LYS A 6 4.790 26.052 14.141 1.00 33.56 C ATOM 47 NZ LYS A 6 3.650 25.104 14.056 1.00 35.63 N ATOM 0 H LYS A 6 3.891 28.457 18.939 1.00 26.30 H new ATOM 0 HA LYS A 6 3.213 25.858 18.827 1.00 27.12 H new ATOM 0 HB2 LYS A 6 5.694 27.105 18.135 1.00 27.98 H new ATOM 0 HB3 LYS A 6 5.544 25.553 18.135 1.00 27.98 H new ATOM 0 HG2 LYS A 6 3.741 25.832 16.530 1.00 27.79 H new ATOM 0 HG3 LYS A 6 4.160 27.331 16.420 1.00 27.79 H new ATOM 0 HD2 LYS A 6 6.220 26.725 15.506 1.00 31.83 H new ATOM 0 HD3 LYS A 6 5.891 25.213 15.704 1.00 31.83 H new ATOM 0 HE2 LYS A 6 4.470 26.945 13.936 1.00 33.56 H new ATOM 0 HE3 LYS A 6 5.441 25.820 13.460 1.00 33.56 H new ATOM 0 HZ1 LYS A 6 3.433 24.977 13.202 1.00 35.63 H new ATOM 0 HZ2 LYS A 6 3.882 24.327 14.422 1.00 35.63 H new ATOM 0 HZ3 LYS A 6 2.951 25.440 14.493 1.00 35.63 H new ATOM 48 N ALA A 7 3.908 26.780 21.447 1.00 23.86 N ATOM 49 CA ALA A 7 4.295 26.490 22.832 1.00 24.95 C ATOM 50 C ALA A 7 4.167 25.018 23.202 1.00 24.58 C ATOM 51 O ALA A 7 5.090 24.426 23.778 1.00 24.92 O ATOM 52 CB ALA A 7 3.464 27.357 23.813 1.00 24.49 C ATOM 0 H ALA A 7 3.367 27.444 21.366 1.00 23.86 H new ATOM 0 HA ALA A 7 5.236 26.713 22.905 1.00 24.95 H new ATOM 0 HB1 ALA A 7 3.728 27.157 24.725 1.00 24.49 H new ATOM 0 HB2 ALA A 7 3.623 28.296 23.629 1.00 24.49 H new ATOM 0 HB3 ALA A 7 2.521 27.161 23.699 1.00 24.49 H new ATOM 53 N LYS A 8 3.037 24.404 22.863 1.00 24.35 N ATOM 54 CA LYS A 8 2.848 22.981 23.233 1.00 23.67 C ATOM 55 C LYS A 8 3.837 22.046 22.528 1.00 24.82 C ATOM 56 O LYS A 8 4.403 21.124 23.158 1.00 25.34 O ATOM 57 CB LYS A 8 1.422 22.519 22.971 1.00 24.01 C ATOM 58 CG LYS A 8 0.462 23.161 23.953 1.00 23.57 C ATOM 59 CD LYS A 8 -0.904 22.587 23.775 1.00 21.78 C ATOM 60 CE LYS A 8 -1.947 23.253 24.660 1.00 24.68 C ATOM 61 NZ LYS A 8 -3.265 22.571 24.564 1.00 23.29 N ATOM 0 H LYS A 8 2.385 24.766 22.436 1.00 24.35 H new ATOM 0 HA LYS A 8 3.026 22.931 24.185 1.00 23.67 H new ATOM 0 HB2 LYS A 8 1.165 22.747 22.064 1.00 24.01 H new ATOM 0 HB3 LYS A 8 1.371 21.553 23.046 1.00 24.01 H new ATOM 0 HG2 LYS A 8 0.768 23.012 24.861 1.00 23.57 H new ATOM 0 HG3 LYS A 8 0.439 24.121 23.815 1.00 23.57 H new ATOM 0 HD2 LYS A 8 -1.169 22.678 22.846 1.00 21.78 H new ATOM 0 HD3 LYS A 8 -0.879 21.637 23.971 1.00 21.78 H new ATOM 0 HE2 LYS A 8 -1.644 23.244 25.581 1.00 24.68 H new ATOM 0 HE3 LYS A 8 -2.044 24.183 24.403 1.00 24.68 H new ATOM 0 HZ1 LYS A 8 -3.785 22.833 25.237 1.00 23.29 H new ATOM 0 HZ2 LYS A 8 -3.653 22.781 23.791 1.00 23.29 H new ATOM 0 HZ3 LYS A 8 -3.147 21.690 24.607 1.00 23.29 H new ATOM 62 N GLU A 9 4.035 22.308 21.238 1.00 25.73 N ATOM 63 CA AGLU A 9 4.976 21.526 20.436 0.50 26.98 C ATOM 64 CA BGLU A 9 4.987 21.546 20.421 0.50 25.90 C ATOM 65 C GLU A 9 6.389 21.730 20.988 1.00 25.15 C ATOM 66 O GLU A 9 7.155 20.779 21.089 1.00 24.82 O ATOM 67 CB AGLU A 9 4.848 21.881 18.949 0.50 27.39 C ATOM 68 CB BGLU A 9 4.957 22.042 18.981 0.50 26.17 C ATOM 69 CG AGLU A 9 3.560 21.312 18.326 0.50 28.81 C ATOM 70 CG BGLU A 9 5.841 21.294 17.994 0.50 26.18 C ATOM 71 CD AGLU A 9 3.102 22.014 17.049 0.50 31.06 C ATOM 72 CD BGLU A 9 5.859 21.962 16.635 0.50 27.14 C ATOM 73 OE1AGLU A 9 2.729 23.205 17.114 0.50 37.84 O ATOM 74 OE1BGLU A 9 4.792 22.429 16.187 0.50 31.45 O ATOM 75 OE2AGLU A 9 3.046 21.362 15.984 0.50 39.33 O ATOM 76 OE2BGLU A 9 6.944 22.023 16.025 0.50 32.76 O ATOM 0 H AGLU A 9 3.634 22.935 20.807 0.50 25.73 H new ATOM 0 H BGLU A 9 3.624 22.930 20.810 0.50 25.73 H new ATOM 0 HA AGLU A 9 4.769 20.580 20.500 0.50 25.90 H new ATOM 0 HA BGLU A 9 4.742 20.608 20.437 0.50 25.90 H new ATOM 0 HB2AGLU A 9 4.857 22.845 18.846 0.50 26.17 H new ATOM 0 HB2BGLU A 9 4.042 22.000 18.663 0.50 26.17 H new ATOM 0 HB3AGLU A 9 5.617 21.537 18.468 0.50 26.17 H new ATOM 0 HB3BGLU A 9 5.216 22.977 18.975 0.50 26.17 H new ATOM 0 HG2AGLU A 9 3.698 20.372 18.132 0.50 26.18 H new ATOM 0 HG2BGLU A 9 6.745 21.245 18.342 0.50 26.18 H new ATOM 0 HG3AGLU A 9 2.848 21.365 18.982 0.50 26.18 H new ATOM 0 HG3BGLU A 9 5.523 20.382 17.902 0.50 26.18 H new ATOM 77 N ILE A 10 6.705 22.964 21.362 1.00 24.48 N ATOM 78 CA ILE A 10 8.009 23.306 21.934 1.00 24.33 C ATOM 79 C ILE A 10 8.263 22.527 23.221 1.00 25.68 C ATOM 80 O ILE A 10 9.311 21.901 23.354 1.00 26.34 O ATOM 81 CB ILE A 10 8.133 24.817 22.175 1.00 25.16 C ATOM 82 CG1 ILE A 10 8.272 25.543 20.842 1.00 26.42 C ATOM 83 CG2 ILE A 10 9.330 25.138 23.092 1.00 25.90 C ATOM 84 CD1 ILE A 10 7.949 26.986 20.952 1.00 29.03 C ATOM 0 H ILE A 10 6.168 23.632 21.292 1.00 24.48 H new ATOM 0 HA ILE A 10 8.688 23.052 21.290 1.00 24.33 H new ATOM 0 HB ILE A 10 7.328 25.124 22.622 1.00 25.16 H new ATOM 0 HG12 ILE A 10 9.179 25.441 20.513 1.00 26.42 H new ATOM 0 HG13 ILE A 10 7.685 25.131 20.189 1.00 26.42 H new ATOM 0 HG21 ILE A 10 9.386 26.097 23.228 1.00 25.90 H new ATOM 0 HG22 ILE A 10 9.210 24.697 23.948 1.00 25.90 H new ATOM 0 HG23 ILE A 10 10.149 24.822 22.678 1.00 25.90 H new ATOM 0 HD11 ILE A 10 8.050 27.407 20.084 1.00 29.03 H new ATOM 0 HD12 ILE A 10 7.034 27.091 21.257 1.00 29.03 H new ATOM 0 HD13 ILE A 10 8.551 27.405 21.587 1.00 29.03 H new ATOM 85 N LEU A 11 7.302 22.539 24.144 1.00 25.81 N ATOM 86 CA LEU A 11 7.431 21.788 25.405 1.00 27.15 C ATOM 87 C LEU A 11 7.589 20.320 25.169 1.00 27.07 C ATOM 88 O LEU A 11 8.391 19.674 25.829 1.00 30.12 O ATOM 89 CB LEU A 11 6.223 21.940 26.333 1.00 28.37 C ATOM 90 CG LEU A 11 6.130 23.131 27.260 1.00 32.82 C ATOM 91 CD1 LEU A 11 4.942 22.945 28.228 1.00 28.74 C ATOM 92 CD2 LEU A 11 7.444 23.342 28.015 1.00 31.40 C ATOM 0 H LEU A 11 6.565 22.975 24.064 1.00 25.81 H new ATOM 0 HA LEU A 11 8.220 22.169 25.822 1.00 27.15 H new ATOM 0 HB2 LEU A 11 5.429 21.945 25.776 1.00 28.37 H new ATOM 0 HB3 LEU A 11 6.179 21.142 26.883 1.00 28.37 H new ATOM 0 HG LEU A 11 5.974 23.930 26.733 1.00 32.82 H new ATOM 0 HD11 LEU A 11 4.885 23.710 28.821 1.00 28.74 H new ATOM 0 HD12 LEU A 11 4.119 22.868 27.720 1.00 28.74 H new ATOM 0 HD13 LEU A 11 5.074 22.139 28.752 1.00 28.74 H new ATOM 0 HD21 LEU A 11 7.360 24.110 28.602 1.00 31.40 H new ATOM 0 HD22 LEU A 11 7.645 22.553 28.542 1.00 31.40 H new ATOM 0 HD23 LEU A 11 8.161 23.497 27.380 1.00 31.40 H new ATOM 93 N THR A 12 6.793 19.812 24.242 1.00 26.00 N ATOM 94 CA THR A 12 6.862 18.423 23.875 1.00 26.09 C ATOM 95 C THR A 12 8.272 18.067 23.384 1.00 25.94 C ATOM 96 O THR A 12 8.844 17.108 23.902 1.00 25.97 O ATOM 97 CB THR A 12 5.806 18.036 22.856 1.00 25.73 C ATOM 98 OG1 THR A 12 4.509 18.412 23.340 1.00 23.92 O ATOM 99 CG2 THR A 12 5.839 16.507 22.582 1.00 27.74 C ATOM 0 H THR A 12 6.202 20.266 23.813 1.00 26.00 H new ATOM 0 HA THR A 12 6.673 17.904 24.673 1.00 26.09 H new ATOM 0 HB THR A 12 5.993 18.502 22.026 1.00 25.73 H new ATOM 0 HG1 THR A 12 4.428 19.247 23.304 1.00 23.92 H new ATOM 0 HG21 THR A 12 5.158 16.280 21.929 1.00 27.74 H new ATOM 0 HG22 THR A 12 6.711 16.258 22.238 1.00 27.74 H new ATOM 0 HG23 THR A 12 5.668 16.026 23.407 1.00 27.74 H new ATOM 100 N GLN A 13 8.837 18.860 22.472 1.00 26.37 N ATOM 101 CA AGLN A 13 10.177 18.574 21.910 0.50 26.20 C ATOM 102 CA BGLN A 13 10.172 18.545 21.926 0.50 26.65 C ATOM 103 C GLN A 13 11.255 18.748 22.974 1.00 25.72 C ATOM 104 O GLN A 13 12.149 17.923 23.099 1.00 26.31 O ATOM 105 CB AGLN A 13 10.506 19.475 20.709 0.50 27.33 C ATOM 106 CB BGLN A 13 10.477 19.328 20.646 0.50 27.82 C ATOM 107 CG AGLN A 13 11.651 18.919 19.849 0.50 26.91 C ATOM 108 CG BGLN A 13 9.616 18.884 19.458 0.50 27.39 C ATOM 109 CD AGLN A 13 12.166 19.863 18.762 0.50 27.65 C ATOM 110 CD BGLN A 13 10.189 19.271 18.099 0.50 29.93 C ATOM 111 OE1AGLN A 13 12.134 21.089 18.901 0.50 32.48 O ATOM 112 OE1BGLN A 13 10.078 18.506 17.137 0.50 39.58 O ATOM 113 NE2AGLN A 13 12.694 19.283 17.694 0.50 28.93 N ATOM 114 NE2BGLN A 13 10.807 20.447 18.015 0.50 34.59 N ATOM 0 H AGLN A 13 8.467 19.571 22.160 0.50 26.37 H new ATOM 0 H BGLN A 13 8.476 19.574 22.157 0.50 26.37 H new ATOM 0 HA AGLN A 13 10.160 17.653 21.605 0.50 26.65 H new ATOM 0 HA BGLN A 13 10.164 17.606 21.682 0.50 26.65 H new ATOM 0 HB2AGLN A 13 9.713 19.577 20.159 0.50 27.82 H new ATOM 0 HB2BGLN A 13 10.334 20.273 20.808 0.50 27.82 H new ATOM 0 HB3AGLN A 13 10.746 20.359 21.028 0.50 27.82 H new ATOM 0 HB3BGLN A 13 11.414 19.218 20.420 0.50 27.82 H new ATOM 0 HG2AGLN A 13 12.390 18.686 20.432 0.50 27.39 H new ATOM 0 HG2BGLN A 13 9.508 17.921 19.491 0.50 27.39 H new ATOM 0 HG3AGLN A 13 11.351 18.098 19.429 0.50 27.39 H new ATOM 0 HG3BGLN A 13 8.732 19.272 19.548 0.50 27.39 H new ATOM 0 HE21AGLN A 13 12.700 18.425 17.629 0.50 34.59 H new ATOM 0 HE21BGLN A 13 10.864 20.953 18.708 0.50 34.59 H new ATOM 0 HE22AGLN A 13 13.031 19.764 17.066 0.50 34.59 H new ATOM 0 HE22BGLN A 13 11.149 20.701 17.268 0.50 34.59 H new ATOM 115 N PHE A 14 11.169 19.858 23.704 1.00 23.27 N ATOM 116 CA PHE A 14 12.072 20.170 24.803 1.00 24.11 C ATOM 117 C PHE A 14 12.129 19.042 25.828 1.00 24.60 C ATOM 118 O PHE A 14 13.204 18.593 26.201 1.00 26.09 O ATOM 119 CB PHE A 14 11.596 21.461 25.465 1.00 25.45 C ATOM 120 CG PHE A 14 11.982 21.614 26.908 1.00 29.35 C ATOM 121 CD1 PHE A 14 13.283 21.852 27.299 1.00 29.40 C ATOM 122 CD2 PHE A 14 10.992 21.531 27.876 1.00 33.80 C ATOM 123 CE1 PHE A 14 13.586 22.011 28.663 1.00 27.88 C ATOM 124 CE2 PHE A 14 11.282 21.681 29.197 1.00 31.24 C ATOM 125 CZ PHE A 14 12.567 21.916 29.597 1.00 27.13 C ATOM 0 H PHE A 14 10.571 20.461 23.570 1.00 23.27 H new ATOM 0 HA PHE A 14 12.969 20.279 24.451 1.00 24.11 H new ATOM 0 HB2 PHE A 14 11.952 22.214 24.967 1.00 25.45 H new ATOM 0 HB3 PHE A 14 10.630 21.507 25.396 1.00 25.45 H new ATOM 0 HD1 PHE A 14 13.958 21.907 26.662 1.00 29.40 H new ATOM 0 HD2 PHE A 14 10.113 21.370 27.617 1.00 33.80 H new ATOM 0 HE1 PHE A 14 14.460 22.178 28.935 1.00 27.88 H new ATOM 0 HE2 PHE A 14 10.603 21.623 29.830 1.00 31.24 H new ATOM 0 HZ PHE A 14 12.759 22.013 30.502 1.00 27.13 H new ATOM 126 N THR A 15 10.953 18.575 26.242 1.00 22.96 N ATOM 127 CA THR A 15 10.842 17.505 27.227 1.00 23.53 C ATOM 128 C THR A 15 11.482 16.254 26.681 1.00 23.94 C ATOM 129 O THR A 15 12.237 15.581 27.379 1.00 25.08 O ATOM 130 CB THR A 15 9.367 17.255 27.607 1.00 24.14 C ATOM 131 OG1 THR A 15 8.832 18.454 28.192 1.00 27.04 O ATOM 132 CG2 THR A 15 9.225 16.101 28.598 1.00 24.68 C ATOM 0 H THR A 15 10.197 18.871 25.958 1.00 22.96 H new ATOM 0 HA THR A 15 11.307 17.769 28.036 1.00 23.53 H new ATOM 0 HB THR A 15 8.880 17.016 26.803 1.00 24.14 H new ATOM 0 HG1 THR A 15 8.623 18.994 27.583 1.00 27.04 H new ATOM 0 HG21 THR A 15 8.288 15.973 28.814 1.00 24.68 H new ATOM 0 HG22 THR A 15 9.579 15.289 28.203 1.00 24.68 H new ATOM 0 HG23 THR A 15 9.717 16.307 29.408 1.00 24.68 H new ATOM 133 N ARG A 16 11.212 15.979 25.414 1.00 25.07 N ATOM 134 CA AARG A 16 11.780 14.817 24.767 0.50 25.31 C ATOM 135 CA BARG A 16 11.781 14.824 24.720 0.50 25.17 C ATOM 136 C ARG A 16 13.302 14.915 24.690 1.00 25.11 C ATOM 137 O ARG A 16 14.009 14.026 25.176 1.00 25.60 O ATOM 138 CB AARG A 16 11.185 14.639 23.377 0.50 26.21 C ATOM 139 CB BARG A 16 11.234 14.708 23.280 0.50 25.41 C ATOM 140 CG AARG A 16 11.626 13.369 22.718 0.50 29.89 C ATOM 141 CG BARG A 16 11.951 13.690 22.386 0.50 25.87 C ATOM 142 CD AARG A 16 11.029 13.226 21.356 0.50 33.91 C ATOM 143 CD BARG A 16 11.374 13.540 20.984 0.50 27.06 C ATOM 144 NE AARG A 16 11.579 12.055 20.679 0.50 36.20 N ATOM 145 NE BARG A 16 11.462 14.754 20.154 0.50 28.81 N ATOM 146 CZ AARG A 16 11.344 11.724 19.408 0.50 38.13 C ATOM 147 CZ BARG A 16 10.467 15.600 19.843 0.50 29.68 C ATOM 148 NH1AARG A 16 10.542 12.450 18.622 0.50 37.98 N ATOM 149 NH1BARG A 16 10.740 16.651 19.070 0.50 29.67 N ATOM 150 NH2AARG A 16 11.918 10.628 18.919 0.50 41.94 N ATOM 151 NH2BARG A 16 9.208 15.442 20.271 0.50 33.93 N ATOM 0 H AARG A 16 10.701 16.456 24.913 0.50 25.07 H new ATOM 0 H BARG A 16 10.691 16.458 24.926 0.50 25.07 H new ATOM 0 HA AARG A 16 11.559 14.039 25.302 0.50 25.17 H new ATOM 0 HA BARG A 16 11.519 14.029 25.210 0.50 25.17 H new ATOM 0 HB2AARG A 16 10.217 14.647 23.440 0.50 25.41 H new ATOM 0 HB2BARG A 16 10.294 14.471 23.325 0.50 25.41 H new ATOM 0 HB3AARG A 16 11.439 15.392 22.822 0.50 25.41 H new ATOM 0 HB3BARG A 16 11.287 15.580 22.859 0.50 25.41 H new ATOM 0 HG2AARG A 16 12.594 13.356 22.652 0.50 25.87 H new ATOM 0 HG2BARG A 16 12.883 13.947 22.311 0.50 25.87 H new ATOM 0 HG3AARG A 16 11.369 12.612 23.267 0.50 25.87 H new ATOM 0 HG3BARG A 16 11.929 12.825 22.824 0.50 25.87 H new ATOM 0 HD2AARG A 16 10.065 13.143 21.426 0.50 27.06 H new ATOM 0 HD2BARG A 16 11.838 12.818 20.531 0.50 27.06 H new ATOM 0 HD3AARG A 16 11.208 14.023 20.833 0.50 27.06 H new ATOM 0 HD3BARG A 16 10.443 13.278 21.056 0.50 27.06 H new ATOM 0 HE AARG A 16 12.094 11.539 21.135 0.50 28.81 H new ATOM 0 HE BARG A 16 12.237 14.942 19.833 0.50 28.81 H new ATOM 0 HH11AARG A 16 10.159 13.155 18.932 0.50 29.67 H new ATOM 0 HH11BARG A 16 11.540 16.776 18.781 0.50 29.67 H new ATOM 0 HH12AARG A 16 10.409 12.212 17.806 0.50 29.67 H new ATOM 0 HH12BARG A 16 10.116 17.204 18.860 0.50 29.67 H new ATOM 0 HH21AARG A 16 12.428 10.150 19.420 0.50 33.93 H new ATOM 0 HH21BARG A 16 9.005 14.772 20.771 0.50 33.93 H new ATOM 0 HH22AARG A 16 11.779 10.398 18.102 0.50 33.93 H new ATOM 0 HH22BARG A 16 8.603 16.010 20.046 0.50 33.93 H new ATOM 152 N GLU A 17 13.786 15.991 24.094 1.00 26.49 N ATOM 153 CA GLU A 17 15.222 16.142 23.851 1.00 26.92 C ATOM 154 C GLU A 17 16.068 16.302 25.088 1.00 26.28 C ATOM 155 O GLU A 17 17.062 15.591 25.270 1.00 26.03 O ATOM 156 CB GLU A 17 15.477 17.319 22.915 1.00 27.23 C ATOM 157 CG GLU A 17 14.960 17.097 21.527 1.00 31.14 C ATOM 158 CD GLU A 17 15.193 18.270 20.593 1.00 31.30 C ATOM 159 OE1 GLU A 17 15.584 19.370 21.038 1.00 33.39 O ATOM 160 OE2 GLU A 17 14.959 18.077 19.380 1.00 43.81 O ATOM 0 H GLU A 17 13.305 16.649 23.820 1.00 26.49 H new ATOM 0 HA GLU A 17 15.495 15.303 23.447 1.00 26.92 H new ATOM 0 HB2 GLU A 17 15.061 18.114 23.285 1.00 27.23 H new ATOM 0 HB3 GLU A 17 16.431 17.491 22.874 1.00 27.23 H new ATOM 0 HG2 GLU A 17 15.385 16.308 21.155 1.00 31.14 H new ATOM 0 HG3 GLU A 17 14.009 16.913 21.571 1.00 31.14 H new ATOM 161 N VAL A 18 15.683 17.252 25.925 1.00 25.29 N ATOM 162 CA VAL A 18 16.476 17.550 27.109 1.00 26.23 C ATOM 163 C VAL A 18 16.256 16.537 28.223 1.00 25.53 C ATOM 164 O VAL A 18 17.213 15.956 28.720 1.00 26.60 O ATOM 165 CB VAL A 18 16.199 18.962 27.641 1.00 26.31 C ATOM 166 CG1 VAL A 18 16.962 19.217 28.959 1.00 24.81 C ATOM 167 CG2 VAL A 18 16.562 19.995 26.587 1.00 25.92 C ATOM 0 H VAL A 18 14.975 17.731 25.830 1.00 25.29 H new ATOM 0 HA VAL A 18 17.402 17.497 26.826 1.00 26.23 H new ATOM 0 HB VAL A 18 15.252 19.040 27.835 1.00 26.31 H new ATOM 0 HG11 VAL A 18 16.771 20.114 29.275 1.00 24.81 H new ATOM 0 HG12 VAL A 18 16.679 18.573 29.627 1.00 24.81 H new ATOM 0 HG13 VAL A 18 17.915 19.125 28.804 1.00 24.81 H new ATOM 0 HG21 VAL A 18 16.384 20.884 26.931 1.00 25.92 H new ATOM 0 HG22 VAL A 18 17.503 19.916 26.367 1.00 25.92 H new ATOM 0 HG23 VAL A 18 16.030 19.845 25.790 1.00 25.92 H new ATOM 168 N TRP A 19 14.998 16.302 28.568 1.00 25.17 N ATOM 169 CA TRP A 19 14.674 15.538 29.766 1.00 26.43 C ATOM 170 C TRP A 19 14.545 14.057 29.611 1.00 27.57 C ATOM 171 O TRP A 19 14.894 13.327 30.538 1.00 29.27 O ATOM 172 CB TRP A 19 13.440 16.137 30.430 1.00 25.86 C ATOM 173 CG TRP A 19 13.836 17.408 31.045 1.00 23.67 C ATOM 174 CD1 TRP A 19 13.711 18.645 30.509 1.00 26.69 C ATOM 175 CD2 TRP A 19 14.579 17.557 32.261 1.00 24.22 C ATOM 176 NE1 TRP A 19 14.279 19.570 31.344 1.00 26.13 N ATOM 177 CE2 TRP A 19 14.823 18.932 32.428 1.00 25.24 C ATOM 178 CE3 TRP A 19 15.030 16.662 33.243 1.00 26.08 C ATOM 179 CZ2 TRP A 19 15.495 19.447 33.545 1.00 27.19 C ATOM 180 CZ3 TRP A 19 15.722 17.164 34.338 1.00 27.19 C ATOM 181 CH2 TRP A 19 15.946 18.551 34.479 1.00 27.64 C ATOM 0 H TRP A 19 14.315 16.576 28.122 1.00 25.17 H new ATOM 0 HA TRP A 19 15.455 15.623 30.334 1.00 26.43 H new ATOM 0 HB2 TRP A 19 12.738 16.280 29.777 1.00 25.86 H new ATOM 0 HB3 TRP A 19 13.086 15.531 31.099 1.00 25.86 H new ATOM 0 HD1 TRP A 19 13.301 18.837 29.697 1.00 26.69 H new ATOM 0 HE1 TRP A 19 14.292 20.419 31.209 1.00 26.13 H new ATOM 0 HE3 TRP A 19 14.869 15.750 33.162 1.00 26.08 H new ATOM 0 HZ2 TRP A 19 15.630 20.361 33.648 1.00 27.19 H new ATOM 0 HZ3 TRP A 19 16.042 16.579 34.986 1.00 27.19 H new ATOM 0 HH2 TRP A 19 16.410 18.863 35.222 1.00 27.64 H new ATOM 182 N SER A 20 13.982 13.616 28.495 1.00 27.77 N ATOM 183 CA SER A 20 13.836 12.192 28.250 1.00 27.31 C ATOM 184 C SER A 20 15.063 11.611 27.571 1.00 27.26 C ATOM 185 O SER A 20 15.416 10.479 27.870 1.00 27.50 O ATOM 186 CB SER A 20 12.581 11.889 27.441 1.00 27.81 C ATOM 187 OG SER A 20 11.422 12.285 28.155 1.00 25.45 O ATOM 0 H SER A 20 13.679 14.123 27.870 1.00 27.77 H new ATOM 0 HA SER A 20 13.745 11.765 29.116 1.00 27.31 H new ATOM 0 HB2 SER A 20 12.618 12.354 26.590 1.00 27.81 H new ATOM 0 HB3 SER A 20 12.538 10.940 27.244 1.00 27.81 H new ATOM 0 HG SER A 20 10.768 12.325 27.629 1.00 25.45 H new ATOM 188 N GLU A 21 15.712 12.367 26.681 1.00 25.84 N ATOM 189 CA GLU A 21 16.871 11.881 25.922 1.00 27.66 C ATOM 190 C GLU A 21 18.208 12.374 26.439 1.00 27.18 C ATOM 191 O GLU A 21 19.236 11.848 26.030 1.00 26.48 O ATOM 192 CB GLU A 21 16.715 12.225 24.449 1.00 27.85 C ATOM 193 CG GLU A 21 15.537 11.514 23.795 1.00 28.34 C ATOM 194 CD GLU A 21 15.164 12.073 22.441 1.00 31.29 C ATOM 195 OE1 GLU A 21 15.840 12.980 21.909 1.00 39.23 O ATOM 196 OE2 GLU A 21 14.154 11.594 21.897 1.00 39.74 O ATOM 0 H GLU A 21 15.492 13.178 26.500 1.00 25.84 H new ATOM 0 HA GLU A 21 16.882 10.919 26.043 1.00 27.66 H new ATOM 0 HB2 GLU A 21 16.600 13.184 24.356 1.00 27.85 H new ATOM 0 HB3 GLU A 21 17.530 11.990 23.979 1.00 27.85 H new ATOM 0 HG2 GLU A 21 15.750 10.573 23.700 1.00 28.34 H new ATOM 0 HG3 GLU A 21 14.768 11.572 24.383 1.00 28.34 H new ATOM 197 N GLY A 22 18.206 13.345 27.342 1.00 27.15 N ATOM 198 CA GLY A 22 19.439 13.847 27.931 1.00 26.26 C ATOM 199 C GLY A 22 20.309 14.656 27.001 1.00 26.06 C ATOM 200 O GLY A 22 21.528 14.707 27.199 1.00 26.01 O ATOM 0 H GLY A 22 17.493 13.730 27.630 1.00 27.15 H new ATOM 0 HA2 GLY A 22 19.215 14.395 28.700 1.00 26.26 H new ATOM 0 HA3 GLY A 22 19.954 13.094 28.260 1.00 26.26 H new ATOM 201 N ASN A 23 19.694 15.293 26.004 1.00 25.22 N ATOM 202 CA ASN A 23 20.396 16.153 25.080 1.00 27.42 C ATOM 203 C ASN A 23 20.464 17.482 25.836 1.00 27.12 C ATOM 204 O ASN A 23 19.715 18.409 25.560 1.00 27.87 O ATOM 205 CB ASN A 23 19.677 16.256 23.736 1.00 28.54 C ATOM 206 CG ASN A 23 20.438 17.085 22.719 1.00 35.19 C ATOM 207 OD1 ASN A 23 21.421 17.765 23.040 1.00 32.83 O ATOM 208 ND2 ASN A 23 19.957 17.056 21.475 1.00 35.75 N ATOM 0 H ASN A 23 18.850 15.232 25.851 1.00 25.22 H new ATOM 0 HA ASN A 23 21.275 15.825 24.835 1.00 27.42 H new ATOM 0 HB2 ASN A 23 19.538 15.364 23.380 1.00 28.54 H new ATOM 0 HB3 ASN A 23 18.800 16.647 23.873 1.00 28.54 H new ATOM 0 HD21 ASN A 23 20.333 17.523 20.858 1.00 35.75 H new ATOM 0 HD22 ASN A 23 19.271 16.571 21.290 1.00 35.75 H new ATOM 209 N ILE A 24 21.429 17.557 26.747 1.00 26.87 N ATOM 210 CA ILE A 24 21.572 18.692 27.666 1.00 28.80 C ATOM 211 C ILE A 24 21.746 20.005 26.905 1.00 28.14 C ATOM 212 O ILE A 24 21.116 21.002 27.235 1.00 26.35 O ATOM 213 CB ILE A 24 22.774 18.541 28.638 1.00 30.12 C ATOM 214 CG1 ILE A 24 22.766 17.214 29.405 1.00 34.83 C ATOM 215 CG2 ILE A 24 22.779 19.681 29.646 1.00 32.69 C ATOM 216 CD1 ILE A 24 21.523 16.937 30.164 1.00 35.94 C ATOM 0 H ILE A 24 22.026 16.947 26.853 1.00 26.87 H new ATOM 0 HA ILE A 24 20.752 18.704 28.184 1.00 28.80 H new ATOM 0 HB ILE A 24 23.571 18.561 28.086 1.00 30.12 H new ATOM 0 HG12 ILE A 24 22.912 16.491 28.775 1.00 34.83 H new ATOM 0 HG13 ILE A 24 23.514 17.208 30.022 1.00 34.83 H new ATOM 0 HG21 ILE A 24 23.533 19.578 30.248 1.00 32.69 H new ATOM 0 HG22 ILE A 24 22.853 20.527 29.178 1.00 32.69 H new ATOM 0 HG23 ILE A 24 21.954 19.666 30.156 1.00 32.69 H new ATOM 0 HD11 ILE A 24 21.603 16.083 30.616 1.00 35.94 H new ATOM 0 HD12 ILE A 24 21.381 17.638 30.820 1.00 35.94 H new ATOM 0 HD13 ILE A 24 20.770 16.909 29.553 1.00 35.94 H new ATOM 217 N GLU A 25 22.586 19.969 25.877 1.00 28.33 N ATOM 218 CA GLU A 25 22.893 21.147 25.060 1.00 28.20 C ATOM 219 C GLU A 25 21.706 21.667 24.248 1.00 27.95 C ATOM 220 O GLU A 25 21.682 22.847 23.911 1.00 28.85 O ATOM 221 CB GLU A 25 24.138 20.898 24.200 1.00 29.23 C ATOM 222 CG GLU A 25 25.396 20.520 25.030 1.00 31.33 C ATOM 223 CD GLU A 25 25.700 21.526 26.148 1.00 37.74 C ATOM 224 OE1 GLU A 25 25.752 22.727 25.826 1.00 34.92 O ATOM 225 OE2 GLU A 25 25.865 21.131 27.335 1.00 40.60 O ATOM 0 H GLU A 25 22.999 19.257 25.629 1.00 28.33 H new ATOM 0 HA GLU A 25 23.093 21.869 25.676 1.00 28.20 H new ATOM 0 HB2 GLU A 25 23.950 20.186 23.569 1.00 29.23 H new ATOM 0 HB3 GLU A 25 24.329 21.695 23.681 1.00 29.23 H new ATOM 0 HG2 GLU A 25 25.269 19.640 25.419 1.00 31.33 H new ATOM 0 HG3 GLU A 25 26.162 20.460 24.438 1.00 31.33 H new ATOM 226 N ALA A 26 20.703 20.823 23.989 1.00 26.10 N ATOM 227 CA ALA A 26 19.456 21.266 23.353 1.00 25.70 C ATOM 228 C ALA A 26 18.732 22.317 24.193 1.00 25.74 C ATOM 229 O ALA A 26 17.889 23.035 23.659 1.00 25.58 O ATOM 230 CB ALA A 26 18.527 20.102 23.061 1.00 26.44 C ATOM 0 H ALA A 26 20.725 19.984 24.175 1.00 26.10 H new ATOM 0 HA ALA A 26 19.709 21.672 22.509 1.00 25.70 H new ATOM 0 HB1 ALA A 26 17.716 20.432 22.643 1.00 26.44 H new ATOM 0 HB2 ALA A 26 18.968 19.478 22.464 1.00 26.44 H new ATOM 0 HB3 ALA A 26 18.302 19.651 23.890 1.00 26.44 H new ATOM 231 N SER A 27 19.034 22.396 25.494 1.00 24.78 N ATOM 232 CA SER A 27 18.543 23.480 26.364 1.00 24.53 C ATOM 233 C SER A 27 18.773 24.859 25.765 1.00 25.63 C ATOM 234 O SER A 27 17.978 25.755 25.975 1.00 25.04 O ATOM 235 CB SER A 27 19.235 23.438 27.720 1.00 26.08 C ATOM 236 OG SER A 27 19.029 22.176 28.331 1.00 25.88 O ATOM 0 H SER A 27 19.530 21.822 25.900 1.00 24.78 H new ATOM 0 HA SER A 27 17.589 23.334 26.459 1.00 24.53 H new ATOM 0 HB2 SER A 27 20.185 23.602 27.612 1.00 26.08 H new ATOM 0 HB3 SER A 27 18.889 24.142 28.290 1.00 26.08 H new ATOM 0 HG SER A 27 19.646 21.652 28.106 1.00 25.88 H new ATOM 237 N ASP A 28 19.875 25.027 25.035 1.00 24.94 N ATOM 238 CA ASP A 28 20.161 26.275 24.332 1.00 26.39 C ATOM 239 C ASP A 28 19.034 26.754 23.417 1.00 27.66 C ATOM 240 O ASP A 28 18.904 27.945 23.214 1.00 28.59 O ATOM 241 CB ASP A 28 21.430 26.162 23.496 1.00 27.45 C ATOM 242 CG ASP A 28 22.685 25.992 24.329 1.00 27.77 C ATOM 243 OD1 ASP A 28 22.638 26.090 25.568 1.00 35.60 O ATOM 244 OD2 ASP A 28 23.739 25.741 23.716 1.00 32.70 O ATOM 0 H ASP A 28 20.477 24.421 24.934 1.00 24.94 H new ATOM 0 HA ASP A 28 20.268 26.929 25.040 1.00 26.39 H new ATOM 0 HB2 ASP A 28 21.346 25.408 22.892 1.00 27.45 H new ATOM 0 HB3 ASP A 28 21.519 26.956 22.947 1.00 27.45 H new ATOM 245 N LYS A 29 18.272 25.832 22.841 1.00 27.82 N ATOM 246 CA LYS A 29 17.172 26.162 21.945 1.00 28.96 C ATOM 247 C LYS A 29 15.902 26.556 22.674 1.00 27.14 C ATOM 248 O LYS A 29 15.038 27.195 22.077 1.00 28.11 O ATOM 249 CB LYS A 29 16.813 24.959 21.078 1.00 29.05 C ATOM 250 CG LYS A 29 17.931 24.412 20.230 1.00 34.11 C ATOM 251 CD LYS A 29 17.456 23.274 19.325 1.00 32.64 C ATOM 252 CE LYS A 29 17.114 22.009 20.101 1.00 36.84 C ATOM 253 NZ LYS A 29 16.792 20.868 19.197 1.00 38.59 N ATOM 0 H LYS A 29 18.381 24.987 22.961 1.00 27.82 H new ATOM 0 HA LYS A 29 17.488 26.914 21.420 1.00 28.96 H new ATOM 0 HB2 LYS A 29 16.489 24.250 21.655 1.00 29.05 H new ATOM 0 HB3 LYS A 29 16.079 25.208 20.495 1.00 29.05 H new ATOM 0 HG2 LYS A 29 18.302 25.124 19.686 1.00 34.11 H new ATOM 0 HG3 LYS A 29 18.645 24.092 20.804 1.00 34.11 H new ATOM 0 HD2 LYS A 29 16.675 23.565 18.828 1.00 32.64 H new ATOM 0 HD3 LYS A 29 18.147 23.073 18.675 1.00 32.64 H new ATOM 0 HE2 LYS A 29 17.861 21.768 20.671 1.00 36.84 H new ATOM 0 HE3 LYS A 29 16.358 22.182 20.683 1.00 36.84 H new ATOM 0 HZ1 LYS A 29 16.329 20.255 19.646 1.00 38.59 H new ATOM 0 HZ2 LYS A 29 16.308 21.161 18.510 1.00 38.59 H new ATOM 0 HZ3 LYS A 29 17.547 20.507 18.894 1.00 38.59 H new ATOM 254 N TYR A 30 15.774 26.158 23.941 1.00 24.39 N ATOM 255 CA TYR A 30 14.519 26.306 24.680 1.00 24.76 C ATOM 256 C TYR A 30 14.494 27.216 25.883 1.00 23.76 C ATOM 257 O TYR A 30 13.419 27.642 26.278 1.00 24.99 O ATOM 258 CB TYR A 30 14.143 24.930 25.223 1.00 23.52 C ATOM 259 CG TYR A 30 14.004 23.889 24.164 1.00 24.33 C ATOM 260 CD1 TYR A 30 12.984 23.979 23.232 1.00 26.71 C ATOM 261 CD2 TYR A 30 14.903 22.822 24.077 1.00 25.23 C ATOM 262 CE1 TYR A 30 12.838 23.024 22.243 1.00 27.77 C ATOM 263 CE2 TYR A 30 14.772 21.855 23.085 1.00 26.82 C ATOM 264 CZ TYR A 30 13.710 21.959 22.188 1.00 26.93 C ATOM 265 OH TYR A 30 13.525 21.034 21.202 1.00 28.65 O ATOM 0 H TYR A 30 16.409 25.796 24.394 1.00 24.39 H new ATOM 0 HA TYR A 30 13.922 26.707 24.029 1.00 24.76 H new ATOM 0 HB2 TYR A 30 14.818 24.646 25.859 1.00 23.52 H new ATOM 0 HB3 TYR A 30 13.307 25.000 25.709 1.00 23.52 H new ATOM 0 HD1 TYR A 30 12.388 24.692 23.272 1.00 26.71 H new ATOM 0 HD2 TYR A 30 15.599 22.758 24.691 1.00 25.23 H new ATOM 0 HE1 TYR A 30 12.154 23.100 21.618 1.00 27.77 H new ATOM 0 HE2 TYR A 30 15.380 21.154 23.022 1.00 26.82 H new ATOM 0 HH TYR A 30 13.099 21.382 20.567 1.00 28.65 H new ATOM 266 N ILE A 31 15.643 27.428 26.514 1.00 23.21 N ATOM 267 CA ILE A 31 15.691 28.177 27.752 1.00 23.48 C ATOM 268 C ILE A 31 15.984 29.630 27.496 1.00 23.63 C ATOM 269 O ILE A 31 16.850 29.972 26.715 1.00 23.48 O ATOM 270 CB ILE A 31 16.680 27.559 28.748 1.00 23.85 C ATOM 271 CG1 ILE A 31 16.367 26.072 28.946 1.00 24.87 C ATOM 272 CG2 ILE A 31 16.614 28.262 30.094 1.00 24.97 C ATOM 273 CD1 ILE A 31 14.916 25.727 29.321 1.00 23.15 C ATOM 0 H ILE A 31 16.406 27.144 26.237 1.00 23.21 H new ATOM 0 HA ILE A 31 14.813 28.127 28.161 1.00 23.48 H new ATOM 0 HB ILE A 31 17.572 27.664 28.383 1.00 23.85 H new ATOM 0 HG12 ILE A 31 16.590 25.602 28.127 1.00 24.87 H new ATOM 0 HG13 ILE A 31 16.951 25.727 29.639 1.00 24.87 H new ATOM 0 HG21 ILE A 31 17.247 27.853 30.704 1.00 24.97 H new ATOM 0 HG22 ILE A 31 16.834 29.200 29.981 1.00 24.97 H new ATOM 0 HG23 ILE A 31 15.718 28.182 30.457 1.00 24.97 H new ATOM 0 HD11 ILE A 31 14.827 24.766 29.422 1.00 23.15 H new ATOM 0 HD12 ILE A 31 14.685 26.162 30.157 1.00 23.15 H new ATOM 0 HD13 ILE A 31 14.319 26.035 28.621 1.00 23.15 H new ATOM 274 N ALA A 32 15.253 30.480 28.206 1.00 22.53 N ATOM 275 CA ALA A 32 15.445 31.912 28.165 1.00 22.82 C ATOM 276 C ALA A 32 16.749 32.249 28.879 1.00 23.18 C ATOM 277 O ALA A 32 17.282 31.422 29.633 1.00 23.72 O ATOM 278 CB ALA A 32 14.302 32.630 28.842 1.00 21.05 C ATOM 0 H ALA A 32 14.621 30.231 28.733 1.00 22.53 H new ATOM 0 HA ALA A 32 15.479 32.200 27.239 1.00 22.82 H new ATOM 0 HB1 ALA A 32 14.452 33.587 28.802 1.00 21.05 H new ATOM 0 HB2 ALA A 32 13.471 32.414 28.390 1.00 21.05 H new ATOM 0 HB3 ALA A 32 14.247 32.350 29.769 1.00 21.05 H new ATOM 279 N PRO A 33 17.254 33.472 28.686 1.00 26.06 N ATOM 280 CA PRO A 33 18.488 33.856 29.380 1.00 26.79 C ATOM 281 C PRO A 33 18.419 33.755 30.908 1.00 26.71 C ATOM 282 O PRO A 33 19.451 33.540 31.545 1.00 25.60 O ATOM 283 CB PRO A 33 18.708 35.296 28.927 1.00 27.55 C ATOM 284 CG PRO A 33 18.048 35.361 27.624 1.00 27.15 C ATOM 285 CD PRO A 33 16.817 34.534 27.765 1.00 26.16 C ATOM 0 HA PRO A 33 19.214 33.253 29.158 1.00 26.79 H new ATOM 0 HB2 PRO A 33 18.322 35.928 29.553 1.00 27.55 H new ATOM 0 HB3 PRO A 33 19.652 35.506 28.858 1.00 27.55 H new ATOM 0 HG2 PRO A 33 17.830 36.276 27.388 1.00 27.15 H new ATOM 0 HG3 PRO A 33 18.623 35.016 26.923 1.00 27.15 H new ATOM 0 HD2 PRO A 33 16.077 35.046 28.128 1.00 26.16 H new ATOM 0 HD3 PRO A 33 16.523 34.175 26.913 1.00 26.16 H new ATOM 286 N LYS A 34 17.218 33.940 31.455 1.00 26.21 N ATOM 287 CA LYS A 34 16.949 33.822 32.888 1.00 26.72 C ATOM 288 C LYS A 34 15.841 32.792 33.054 1.00 26.31 C ATOM 289 O LYS A 34 14.797 32.906 32.422 1.00 26.18 O ATOM 290 CB LYS A 34 16.523 35.158 33.490 1.00 27.04 C ATOM 291 CG LYS A 34 17.636 36.188 33.568 1.00 31.88 C ATOM 0 H LYS A 34 16.522 34.142 30.993 1.00 26.21 H new ATOM 0 HA LYS A 34 17.755 33.549 33.354 1.00 26.72 H new ATOM 0 HB2 LYS A 34 15.795 35.522 32.962 1.00 27.04 H new ATOM 0 HB3 LYS A 34 16.176 35.003 34.382 1.00 27.04 H new ATOM 292 N TYR A 35 16.090 31.796 33.896 1.00 24.66 N ATOM 293 CA TYR A 35 15.151 30.741 34.145 1.00 24.93 C ATOM 294 C TYR A 35 15.026 30.594 35.652 1.00 25.45 C ATOM 295 O TYR A 35 16.018 30.365 36.313 1.00 25.93 O ATOM 296 CB TYR A 35 15.650 29.457 33.524 1.00 25.87 C ATOM 297 CG TYR A 35 14.687 28.322 33.675 1.00 24.28 C ATOM 298 CD1 TYR A 35 14.678 27.542 34.832 1.00 23.84 C ATOM 299 CD2 TYR A 35 13.824 27.981 32.644 1.00 24.81 C ATOM 300 CE1 TYR A 35 13.803 26.452 34.942 1.00 24.93 C ATOM 301 CE2 TYR A 35 12.953 26.935 32.751 1.00 26.44 C ATOM 302 CZ TYR A 35 12.950 26.167 33.903 1.00 24.24 C ATOM 303 OH TYR A 35 12.071 25.113 33.963 1.00 25.13 O ATOM 0 H TYR A 35 16.823 31.723 34.340 1.00 24.66 H new ATOM 0 HA TYR A 35 14.286 30.943 33.755 1.00 24.93 H new ATOM 0 HB2 TYR A 35 15.822 29.605 32.581 1.00 25.87 H new ATOM 0 HB3 TYR A 35 16.496 29.214 33.932 1.00 25.87 H new ATOM 0 HD1 TYR A 35 15.254 27.746 35.533 1.00 23.84 H new ATOM 0 HD2 TYR A 35 13.839 28.478 31.858 1.00 24.81 H new ATOM 0 HE1 TYR A 35 13.800 25.927 35.710 1.00 24.93 H new ATOM 0 HE2 TYR A 35 12.367 26.740 32.056 1.00 26.44 H new ATOM 0 HH TYR A 35 12.499 24.390 33.948 1.00 25.13 H new ATOM 304 N THR A 36 13.806 30.683 36.159 1.00 25.80 N ATOM 305 CA THR A 36 13.569 30.644 37.583 1.00 26.16 C ATOM 306 C THR A 36 12.846 29.394 37.975 1.00 25.34 C ATOM 307 O THR A 36 11.792 29.109 37.446 1.00 25.90 O ATOM 308 CB THR A 36 12.745 31.854 38.023 1.00 26.36 C ATOM 309 OG1 THR A 36 13.460 33.025 37.643 1.00 28.42 O ATOM 310 CG2 THR A 36 12.508 31.863 39.544 1.00 28.50 C ATOM 0 H THR A 36 13.094 30.768 35.684 1.00 25.80 H new ATOM 0 HA THR A 36 14.434 30.661 38.023 1.00 26.16 H new ATOM 0 HB THR A 36 11.874 31.818 37.598 1.00 26.36 H new ATOM 0 HG1 THR A 36 13.294 33.207 36.840 1.00 28.42 H new ATOM 0 HG21 THR A 36 11.984 32.643 39.785 1.00 28.50 H new ATOM 0 HG22 THR A 36 12.030 31.060 39.802 1.00 28.50 H new ATOM 0 HG23 THR A 36 13.361 31.893 40.004 1.00 28.50 H new ATOM 311 N VAL A 37 13.406 28.663 38.928 1.00 24.92 N ATOM 312 CA VAL A 37 12.714 27.504 39.490 1.00 25.34 C ATOM 313 C VAL A 37 11.802 28.160 40.533 1.00 25.89 C ATOM 314 O VAL A 37 12.186 28.407 41.668 1.00 24.99 O ATOM 315 CB VAL A 37 13.660 26.488 40.110 1.00 25.10 C ATOM 316 CG1 VAL A 37 12.854 25.333 40.696 1.00 26.63 C ATOM 317 CG2 VAL A 37 14.703 26.001 39.090 1.00 26.13 C ATOM 0 H VAL A 37 14.182 28.817 39.264 1.00 24.92 H new ATOM 0 HA VAL A 37 12.240 26.981 38.824 1.00 25.34 H new ATOM 0 HB VAL A 37 14.154 26.912 40.829 1.00 25.10 H new ATOM 0 HG11 VAL A 37 13.458 24.685 41.092 1.00 26.63 H new ATOM 0 HG12 VAL A 37 12.252 25.671 41.377 1.00 26.63 H new ATOM 0 HG13 VAL A 37 12.339 24.908 39.992 1.00 26.63 H new ATOM 0 HG21 VAL A 37 15.292 25.356 39.512 1.00 26.13 H new ATOM 0 HG22 VAL A 37 14.252 25.584 38.339 1.00 26.13 H new ATOM 0 HG23 VAL A 37 15.224 26.756 38.775 1.00 26.13 H new ATOM 318 N LEU A 38 10.595 28.478 40.109 1.00 25.08 N ATOM 319 CA LEU A 38 9.658 29.214 40.947 1.00 25.41 C ATOM 320 C LEU A 38 9.198 28.371 42.120 1.00 25.80 C ATOM 321 O LEU A 38 9.057 28.868 43.207 1.00 25.74 O ATOM 322 CB LEU A 38 8.447 29.644 40.142 1.00 26.95 C ATOM 323 CG LEU A 38 8.747 30.602 38.992 1.00 30.74 C ATOM 324 CD1 LEU A 38 7.571 30.591 37.997 1.00 33.31 C ATOM 325 CD2 LEU A 38 9.005 31.990 39.567 1.00 31.66 C ATOM 0 H LEU A 38 10.292 28.276 39.330 1.00 25.08 H new ATOM 0 HA LEU A 38 10.120 29.998 41.282 1.00 25.41 H new ATOM 0 HB2 LEU A 38 8.016 28.853 39.783 1.00 26.95 H new ATOM 0 HB3 LEU A 38 7.811 30.066 40.740 1.00 26.95 H new ATOM 0 HG LEU A 38 9.540 30.325 38.506 1.00 30.74 H new ATOM 0 HD11 LEU A 38 7.760 31.199 37.266 1.00 33.31 H new ATOM 0 HD12 LEU A 38 7.450 29.694 37.648 1.00 33.31 H new ATOM 0 HD13 LEU A 38 6.761 30.873 38.450 1.00 33.31 H new ATOM 0 HD21 LEU A 38 9.197 32.609 38.845 1.00 31.66 H new ATOM 0 HD22 LEU A 38 8.220 32.291 40.050 1.00 31.66 H new ATOM 0 HD23 LEU A 38 9.762 31.954 40.172 1.00 31.66 H new ATOM 326 N HIS A 39 8.953 27.103 41.866 1.00 24.84 N ATOM 327 CA HIS A 39 8.511 26.203 42.902 1.00 24.52 C ATOM 328 C HIS A 39 8.809 24.807 42.415 1.00 24.31 C ATOM 329 O HIS A 39 8.491 24.462 41.283 1.00 23.84 O ATOM 330 CB HIS A 39 7.016 26.396 43.104 1.00 25.34 C ATOM 331 CG HIS A 39 6.441 25.549 44.184 1.00 23.95 C ATOM 332 ND1 HIS A 39 6.528 25.882 45.515 1.00 27.45 N ATOM 333 CD2 HIS A 39 5.725 24.403 44.121 1.00 25.41 C ATOM 334 CE1 HIS A 39 5.900 24.962 46.232 1.00 26.28 C ATOM 335 NE2 HIS A 39 5.436 24.035 45.412 1.00 21.33 N ATOM 0 H HIS A 39 9.038 26.741 41.090 1.00 24.84 H new ATOM 0 HA HIS A 39 8.957 26.365 43.748 1.00 24.52 H new ATOM 0 HB2 HIS A 39 6.844 27.328 43.309 1.00 25.34 H new ATOM 0 HB3 HIS A 39 6.558 26.199 42.272 1.00 25.34 H new ATOM 0 HD2 HIS A 39 5.475 23.950 43.348 1.00 25.41 H new ATOM 0 HE1 HIS A 39 5.802 24.967 47.157 1.00 26.28 H new ATOM 0 HE2 HIS A 39 5.021 23.319 45.648 1.00 21.33 H new ATOM 336 N ASP A 40 9.383 23.989 43.284 1.00 24.51 N ATOM 337 CA ASP A 40 9.779 22.649 42.904 1.00 24.72 C ATOM 338 C ASP A 40 10.271 21.974 44.172 1.00 24.41 C ATOM 339 O ASP A 40 11.484 21.953 44.441 1.00 23.13 O ATOM 340 CB ASP A 40 10.888 22.694 41.849 1.00 26.16 C ATOM 341 CG ASP A 40 11.018 21.401 41.076 1.00 28.76 C ATOM 342 OD1 ASP A 40 10.503 20.336 41.488 1.00 26.43 O ATOM 343 OD2 ASP A 40 11.723 21.484 40.057 1.00 27.88 O ATOM 0 H ASP A 40 9.552 24.194 44.102 1.00 24.51 H new ATOM 0 HA ASP A 40 9.038 22.161 42.513 1.00 24.72 H new ATOM 0 HB2 ASP A 40 10.710 23.419 41.230 1.00 26.16 H new ATOM 0 HB3 ASP A 40 11.733 22.893 42.283 1.00 26.16 H new ATOM 344 N PRO A 41 9.326 21.484 44.987 1.00 23.94 N ATOM 345 CA PRO A 41 9.633 20.910 46.283 1.00 24.69 C ATOM 346 C PRO A 41 10.839 20.003 46.308 1.00 25.32 C ATOM 347 O PRO A 41 10.916 19.054 45.532 1.00 28.05 O ATOM 348 CB PRO A 41 8.362 20.170 46.633 1.00 24.66 C ATOM 349 CG PRO A 41 7.313 21.094 46.078 1.00 22.96 C ATOM 350 CD PRO A 41 7.869 21.473 44.753 1.00 23.16 C ATOM 0 HA PRO A 41 9.883 21.596 46.921 1.00 24.69 H new ATOM 0 HB2 PRO A 41 8.327 19.291 46.224 1.00 24.66 H new ATOM 0 HB3 PRO A 41 8.266 20.042 47.590 1.00 24.66 H new ATOM 0 HG2 PRO A 41 6.453 20.652 45.994 1.00 22.96 H new ATOM 0 HG3 PRO A 41 7.179 21.869 46.646 1.00 22.96 H new ATOM 0 HD2 PRO A 41 7.622 20.835 44.065 1.00 23.16 H new ATOM 0 HD3 PRO A 41 7.546 22.341 44.464 1.00 23.16 H new ATOM 351 N GLY A 42 11.789 20.351 47.166 1.00 27.07 N ATOM 352 CA GLY A 42 13.014 19.588 47.332 1.00 27.99 C ATOM 353 C GLY A 42 14.086 19.811 46.294 1.00 28.93 C ATOM 354 O GLY A 42 15.202 19.282 46.443 1.00 27.29 O ATOM 0 H GLY A 42 11.739 21.044 47.673 1.00 27.07 H new ATOM 0 HA2 GLY A 42 13.386 19.795 48.203 1.00 27.99 H new ATOM 0 HA3 GLY A 42 12.787 18.645 47.338 1.00 27.99 H new ATOM 355 N ASP A 43 13.799 20.627 45.273 1.00 28.39 N ATOM 356 CA ASP A 43 14.763 20.851 44.221 1.00 28.03 C ATOM 357 C ASP A 43 15.856 21.732 44.804 1.00 27.73 C ATOM 358 O ASP A 43 15.552 22.766 45.404 1.00 27.72 O ATOM 359 CB ASP A 43 14.149 21.525 43.003 1.00 27.93 C ATOM 360 CG ASP A 43 15.058 21.464 41.825 1.00 31.72 C ATOM 361 OD1 ASP A 43 15.871 22.383 41.724 1.00 32.81 O ATOM 362 OD2 ASP A 43 15.034 20.457 41.081 1.00 32.67 O ATOM 0 H ASP A 43 13.057 21.051 45.181 1.00 28.39 H new ATOM 0 HA ASP A 43 15.109 19.998 43.915 1.00 28.03 H new ATOM 0 HB2 ASP A 43 13.307 21.096 42.785 1.00 27.93 H new ATOM 0 HB3 ASP A 43 13.950 22.451 43.211 1.00 27.93 H new ATOM 363 N PRO A 44 17.127 21.327 44.657 1.00 28.66 N ATOM 364 CA PRO A 44 18.214 22.164 45.172 1.00 29.22 C ATOM 365 C PRO A 44 18.249 23.595 44.619 1.00 28.44 C ATOM 366 O PRO A 44 18.712 24.502 45.307 1.00 29.65 O ATOM 367 CB PRO A 44 19.470 21.400 44.757 1.00 30.03 C ATOM 368 CG PRO A 44 19.038 20.040 44.536 1.00 31.07 C ATOM 369 CD PRO A 44 17.644 20.094 44.034 1.00 30.89 C ATOM 0 HA PRO A 44 18.114 22.299 46.127 1.00 29.22 H new ATOM 0 HB2 PRO A 44 19.859 21.778 43.953 1.00 30.03 H new ATOM 0 HB3 PRO A 44 20.149 21.443 45.448 1.00 30.03 H new ATOM 0 HG2 PRO A 44 19.615 19.598 43.894 1.00 31.07 H new ATOM 0 HG3 PRO A 44 19.085 19.529 45.359 1.00 31.07 H new ATOM 0 HD2 PRO A 44 17.611 20.137 43.066 1.00 30.89 H new ATOM 0 HD3 PRO A 44 17.134 19.313 44.301 1.00 30.89 H new ATOM 370 N TRP A 45 17.718 23.787 43.414 1.00 28.91 N ATOM 371 CA TRP A 45 17.654 25.085 42.740 1.00 28.50 C ATOM 372 C TRP A 45 16.346 25.836 42.975 1.00 28.31 C ATOM 373 O TRP A 45 16.130 26.887 42.369 1.00 27.91 O ATOM 374 CB TRP A 45 17.867 24.893 41.227 1.00 29.53 C ATOM 375 CG TRP A 45 19.224 24.376 40.907 1.00 27.55 C ATOM 376 CD1 TRP A 45 20.309 25.133 40.609 1.00 31.74 C ATOM 377 CD2 TRP A 45 19.673 23.011 40.907 1.00 28.65 C ATOM 378 NE1 TRP A 45 21.390 24.341 40.386 1.00 30.83 N ATOM 379 CE2 TRP A 45 21.038 23.030 40.565 1.00 34.94 C ATOM 380 CE3 TRP A 45 19.058 21.774 41.158 1.00 31.21 C ATOM 381 CZ2 TRP A 45 21.810 21.860 40.464 1.00 31.69 C ATOM 382 CZ3 TRP A 45 19.832 20.611 41.061 1.00 29.47 C ATOM 383 CH2 TRP A 45 21.188 20.673 40.713 1.00 30.20 C ATOM 0 H TRP A 45 17.375 23.148 42.952 1.00 28.91 H new ATOM 0 HA TRP A 45 18.360 25.628 43.125 1.00 28.50 H new ATOM 0 HB2 TRP A 45 17.200 24.278 40.885 1.00 29.53 H new ATOM 0 HB3 TRP A 45 17.731 25.740 40.774 1.00 29.53 H new ATOM 0 HD1 TRP A 45 20.313 26.062 40.564 1.00 31.74 H new ATOM 0 HE1 TRP A 45 22.173 24.620 40.167 1.00 30.83 H new ATOM 0 HE3 TRP A 45 18.157 21.728 41.384 1.00 31.21 H new ATOM 0 HZ2 TRP A 45 22.711 21.894 40.236 1.00 31.69 H new ATOM 0 HZ3 TRP A 45 19.440 19.785 41.230 1.00 29.47 H new ATOM 0 HH2 TRP A 45 21.676 19.884 40.650 1.00 30.20 H new ATOM 384 N GLU A 46 15.463 25.320 43.829 1.00 27.55 N ATOM 385 CA GLU A 46 14.200 25.994 44.076 1.00 26.89 C ATOM 386 C GLU A 46 14.419 27.433 44.526 1.00 27.15 C ATOM 387 O GLU A 46 15.268 27.712 45.362 1.00 26.43 O ATOM 388 CB GLU A 46 13.363 25.275 45.107 1.00 26.73 C ATOM 389 CG GLU A 46 11.920 25.744 45.086 1.00 26.13 C ATOM 390 CD GLU A 46 11.115 25.052 46.128 1.00 23.35 C ATOM 391 OE1 GLU A 46 11.633 24.852 47.245 1.00 26.96 O ATOM 392 OE2 GLU A 46 9.962 24.728 45.820 1.00 24.82 O ATOM 0 H GLU A 46 15.578 24.590 44.268 1.00 27.55 H new ATOM 0 HA GLU A 46 13.721 25.989 43.233 1.00 26.89 H new ATOM 0 HB2 GLU A 46 13.395 24.320 44.941 1.00 26.73 H new ATOM 0 HB3 GLU A 46 13.739 25.423 45.989 1.00 26.73 H new ATOM 0 HG2 GLU A 46 11.887 26.702 45.231 1.00 26.13 H new ATOM 0 HG3 GLU A 46 11.535 25.576 44.212 1.00 26.13 H new ATOM 393 N GLY A 47 13.679 28.338 43.898 1.00 28.01 N ATOM 394 CA GLY A 47 13.778 29.746 44.146 1.00 28.77 C ATOM 395 C GLY A 47 14.897 30.438 43.403 1.00 30.36 C ATOM 396 O GLY A 47 14.953 31.657 43.443 1.00 32.87 O ATOM 0 H GLY A 47 13.093 28.134 43.302 1.00 28.01 H new ATOM 0 HA2 GLY A 47 12.937 30.165 43.904 1.00 28.77 H new ATOM 0 HA3 GLY A 47 13.902 29.887 45.098 1.00 28.77 H new ATOM 397 N ARG A 48 15.759 29.700 42.707 1.00 30.10 N ATOM 398 CA ARG A 48 16.911 30.300 42.063 1.00 31.71 C ATOM 399 C ARG A 48 16.610 30.724 40.643 1.00 29.33 C ATOM 400 O ARG A 48 15.812 30.093 39.954 1.00 28.17 O ATOM 401 CB ARG A 48 18.104 29.353 42.029 1.00 32.34 C ATOM 402 CG ARG A 48 18.666 28.992 43.394 1.00 36.48 C ATOM 403 CD ARG A 48 19.977 28.241 43.217 1.00 37.79 C ATOM 404 NE ARG A 48 20.979 29.045 42.507 1.00 45.56 N ATOM 405 CZ ARG A 48 22.097 28.588 41.934 1.00 48.01 C ATOM 406 NH1 ARG A 48 22.433 27.297 41.958 1.00 50.68 N ATOM 407 NH2 ARG A 48 22.905 29.452 41.313 1.00 53.27 N ATOM 0 H ARG A 48 15.690 28.850 42.599 1.00 30.10 H new ATOM 0 HA ARG A 48 17.129 31.080 42.597 1.00 31.71 H new ATOM 0 HB2 ARG A 48 17.841 28.537 41.575 1.00 32.34 H new ATOM 0 HB3 ARG A 48 18.808 29.758 41.499 1.00 32.34 H new ATOM 0 HG2 ARG A 48 18.810 29.795 43.919 1.00 36.48 H new ATOM 0 HG3 ARG A 48 18.031 28.444 43.882 1.00 36.48 H new ATOM 0 HD2 ARG A 48 20.324 27.988 44.087 1.00 37.79 H new ATOM 0 HD3 ARG A 48 19.815 27.420 42.726 1.00 37.79 H new ATOM 0 HE ARG A 48 20.833 29.891 42.455 1.00 45.56 H new ATOM 0 HH11 ARG A 48 21.923 26.727 42.352 1.00 50.68 H new ATOM 0 HH12 ARG A 48 23.159 27.035 41.580 1.00 50.68 H new ATOM 0 HH21 ARG A 48 22.702 30.287 41.287 1.00 53.27 H new ATOM 0 HH22 ARG A 48 23.628 29.173 40.940 1.00 53.27 H new ATOM 408 N GLU A 49 17.300 31.783 40.238 1.00 29.40 N ATOM 409 CA GLU A 49 17.276 32.288 38.886 1.00 29.94 C ATOM 410 C GLU A 49 18.553 31.738 38.298 1.00 27.20 C ATOM 411 O GLU A 49 19.654 31.987 38.803 1.00 25.47 O ATOM 412 CB GLU A 49 17.260 33.814 38.848 1.00 30.58 C ATOM 413 CG GLU A 49 17.315 34.402 37.461 1.00 35.98 C ATOM 414 CD GLU A 49 17.079 35.905 37.477 1.00 34.79 C ATOM 415 OE1 GLU A 49 15.923 36.316 37.699 1.00 46.24 O ATOM 416 OE2 GLU A 49 18.046 36.655 37.249 1.00 46.50 O ATOM 0 H GLU A 49 17.808 32.237 40.763 1.00 29.40 H new ATOM 0 HA GLU A 49 16.481 32.022 38.399 1.00 29.94 H new ATOM 0 HB2 GLU A 49 16.456 34.129 39.290 1.00 30.58 H new ATOM 0 HB3 GLU A 49 18.014 34.147 39.359 1.00 30.58 H new ATOM 0 HG2 GLU A 49 18.180 34.214 37.064 1.00 35.98 H new ATOM 0 HG3 GLU A 49 16.647 33.975 36.902 1.00 35.98 H new ATOM 417 N LEU A 50 18.388 30.961 37.242 1.00 26.37 N ATOM 418 CA LEU A 50 19.494 30.321 36.542 1.00 25.50 C ATOM 419 C LEU A 50 19.729 30.943 35.178 1.00 25.90 C ATOM 420 O LEU A 50 18.806 31.441 34.548 1.00 26.00 O ATOM 421 CB LEU A 50 19.125 28.857 36.308 1.00 25.66 C ATOM 422 CG LEU A 50 18.834 28.036 37.577 1.00 25.38 C ATOM 423 CD1 LEU A 50 18.423 26.637 37.163 1.00 27.62 C ATOM 424 CD2 LEU A 50 20.062 28.017 38.475 1.00 31.65 C ATOM 0 H LEU A 50 17.617 30.786 36.903 1.00 26.37 H new ATOM 0 HA LEU A 50 20.293 30.424 37.082 1.00 25.50 H new ATOM 0 HB2 LEU A 50 18.344 28.824 35.734 1.00 25.66 H new ATOM 0 HB3 LEU A 50 19.850 28.430 35.825 1.00 25.66 H new ATOM 0 HG LEU A 50 18.110 28.437 38.083 1.00 25.38 H new ATOM 0 HD11 LEU A 50 18.236 26.107 37.954 1.00 27.62 H new ATOM 0 HD12 LEU A 50 17.627 26.684 36.610 1.00 27.62 H new ATOM 0 HD13 LEU A 50 19.142 26.224 36.660 1.00 27.62 H new ATOM 0 HD21 LEU A 50 19.872 27.498 39.272 1.00 31.65 H new ATOM 0 HD22 LEU A 50 20.805 27.616 37.998 1.00 31.65 H new ATOM 0 HD23 LEU A 50 20.292 28.925 38.728 1.00 31.65 H new ATOM 425 N ASP A 51 20.971 30.911 34.717 1.00 25.03 N ATOM 426 CA ASP A 51 21.227 31.237 33.324 1.00 27.24 C ATOM 427 C ASP A 51 21.167 29.891 32.601 1.00 25.99 C ATOM 428 O ASP A 51 21.032 28.853 33.253 1.00 25.64 O ATOM 429 CB ASP A 51 22.535 32.004 33.108 1.00 26.66 C ATOM 430 CG ASP A 51 23.740 31.344 33.700 1.00 30.30 C ATOM 431 OD1 ASP A 51 23.680 30.167 34.101 1.00 27.08 O ATOM 432 OD2 ASP A 51 24.770 32.036 33.770 1.00 27.06 O ATOM 0 H ASP A 51 21.665 30.708 35.182 1.00 25.03 H new ATOM 0 HA ASP A 51 20.571 31.857 32.970 1.00 27.24 H new ATOM 0 HB2 ASP A 51 22.677 32.119 32.155 1.00 26.66 H new ATOM 0 HB3 ASP A 51 22.445 32.891 33.490 1.00 26.66 H new ATOM 433 N VAL A 52 21.318 29.878 31.285 1.00 26.45 N ATOM 434 CA VAL A 52 21.254 28.608 30.535 1.00 26.90 C ATOM 435 C VAL A 52 22.302 27.597 31.015 1.00 25.66 C ATOM 436 O VAL A 52 21.998 26.409 31.158 1.00 25.36 O ATOM 437 CB VAL A 52 21.288 28.823 29.007 1.00 27.42 C ATOM 438 CG1 VAL A 52 21.406 27.517 28.247 1.00 33.06 C ATOM 439 CG2 VAL A 52 20.016 29.537 28.550 1.00 26.77 C ATOM 0 H VAL A 52 21.457 30.577 30.803 1.00 26.45 H new ATOM 0 HA VAL A 52 20.389 28.215 30.730 1.00 26.90 H new ATOM 0 HB VAL A 52 22.072 29.362 28.816 1.00 27.42 H new ATOM 0 HG11 VAL A 52 21.424 27.697 27.294 1.00 33.06 H new ATOM 0 HG12 VAL A 52 22.224 27.065 28.505 1.00 33.06 H new ATOM 0 HG13 VAL A 52 20.645 26.952 28.454 1.00 33.06 H new ATOM 0 HG21 VAL A 52 20.046 29.668 27.589 1.00 26.77 H new ATOM 0 HG22 VAL A 52 19.242 28.998 28.779 1.00 26.77 H new ATOM 0 HG23 VAL A 52 19.952 30.398 28.992 1.00 26.77 H new ATOM 440 N ALA A 53 23.509 28.070 31.317 1.00 24.63 N ATOM 441 CA ALA A 53 24.573 27.213 31.842 1.00 23.24 C ATOM 442 C ALA A 53 24.128 26.544 33.137 1.00 23.76 C ATOM 443 O ALA A 53 24.250 25.343 33.264 1.00 23.69 O ATOM 444 CB ALA A 53 25.840 28.014 32.081 1.00 22.90 C ATOM 0 H ALA A 53 23.735 28.895 31.224 1.00 24.63 H new ATOM 0 HA ALA A 53 24.760 26.527 31.182 1.00 23.24 H new ATOM 0 HB1 ALA A 53 26.532 27.430 32.428 1.00 22.90 H new ATOM 0 HB2 ALA A 53 26.138 28.406 31.245 1.00 22.90 H new ATOM 0 HB3 ALA A 53 25.661 28.719 32.723 1.00 22.90 H new ATOM 445 N GLY A 54 23.579 27.336 34.061 1.00 24.12 N ATOM 446 CA GLY A 54 23.066 26.865 35.351 1.00 23.66 C ATOM 447 C GLY A 54 21.929 25.888 35.154 1.00 23.77 C ATOM 448 O GLY A 54 21.879 24.867 35.829 1.00 23.36 O ATOM 0 H GLY A 54 23.492 28.185 33.952 1.00 24.12 H new ATOM 0 HA2 GLY A 54 23.780 26.440 35.852 1.00 23.66 H new ATOM 0 HA3 GLY A 54 22.761 27.620 35.878 1.00 23.66 H new ATOM 449 N TYR A 55 21.036 26.207 34.224 1.00 24.67 N ATOM 450 CA TYR A 55 19.948 25.304 33.849 1.00 25.13 C ATOM 451 C TYR A 55 20.503 23.941 33.417 1.00 25.42 C ATOM 452 O TYR A 55 20.036 22.890 33.878 1.00 25.20 O ATOM 453 CB TYR A 55 19.122 25.901 32.713 1.00 24.93 C ATOM 454 CG TYR A 55 17.961 25.041 32.377 1.00 23.22 C ATOM 455 CD1 TYR A 55 18.094 23.998 31.457 1.00 21.81 C ATOM 456 CD2 TYR A 55 16.758 25.183 33.046 1.00 25.07 C ATOM 457 CE1 TYR A 55 17.070 23.178 31.180 1.00 21.06 C ATOM 458 CE2 TYR A 55 15.708 24.342 32.767 1.00 23.49 C ATOM 459 CZ TYR A 55 15.879 23.353 31.838 1.00 21.91 C ATOM 460 OH TYR A 55 14.837 22.541 31.577 1.00 25.67 O ATOM 0 H TYR A 55 21.041 26.951 33.792 1.00 24.67 H new ATOM 0 HA TYR A 55 19.379 25.183 34.625 1.00 25.13 H new ATOM 0 HB2 TYR A 55 18.810 26.784 32.967 1.00 24.93 H new ATOM 0 HB3 TYR A 55 19.681 26.013 31.928 1.00 24.93 H new ATOM 0 HD1 TYR A 55 18.909 23.870 31.028 1.00 21.81 H new ATOM 0 HD2 TYR A 55 16.660 25.850 33.687 1.00 25.07 H new ATOM 0 HE1 TYR A 55 17.166 22.500 30.551 1.00 21.06 H new ATOM 0 HE2 TYR A 55 14.893 24.444 33.203 1.00 23.49 H new ATOM 0 HH TYR A 55 14.535 22.709 30.811 1.00 25.67 H new ATOM 461 N LYS A 56 21.504 23.973 32.536 1.00 24.07 N ATOM 462 CA LYS A 56 22.099 22.739 32.023 1.00 23.95 C ATOM 463 C LYS A 56 22.758 21.946 33.139 1.00 24.52 C ATOM 464 O LYS A 56 22.666 20.733 33.140 1.00 24.13 O ATOM 465 CB LYS A 56 23.058 23.021 30.875 1.00 24.12 C ATOM 466 CG LYS A 56 22.323 23.407 29.625 1.00 25.08 C ATOM 467 CD LYS A 56 23.207 23.517 28.405 1.00 26.81 C ATOM 468 CE LYS A 56 24.012 24.748 28.337 1.00 33.17 C ATOM 469 NZ LYS A 56 24.621 24.877 26.958 1.00 28.75 N ATOM 0 H LYS A 56 21.851 24.695 32.224 1.00 24.07 H new ATOM 0 HA LYS A 56 21.386 22.189 31.664 1.00 23.95 H new ATOM 0 HB2 LYS A 56 23.666 23.734 31.127 1.00 24.12 H new ATOM 0 HB3 LYS A 56 23.599 22.234 30.704 1.00 24.12 H new ATOM 0 HG2 LYS A 56 21.629 22.751 29.453 1.00 25.08 H new ATOM 0 HG3 LYS A 56 21.880 24.258 29.770 1.00 25.08 H new ATOM 0 HD2 LYS A 56 23.804 22.753 28.384 1.00 26.81 H new ATOM 0 HD3 LYS A 56 22.651 23.465 27.612 1.00 26.81 H new ATOM 0 HE2 LYS A 56 23.457 25.520 28.530 1.00 33.17 H new ATOM 0 HE3 LYS A 56 24.711 24.726 29.009 1.00 33.17 H new ATOM 0 HZ1 LYS A 56 25.298 25.454 26.985 1.00 28.75 H new ATOM 0 HZ2 LYS A 56 24.919 24.083 26.689 1.00 28.75 H new ATOM 0 HZ3 LYS A 56 24.004 25.171 26.387 1.00 28.75 H new ATOM 470 N GLU A 57 23.381 22.627 34.103 1.00 24.88 N ATOM 471 CA GLU A 57 23.976 21.933 35.244 1.00 23.62 C ATOM 472 C GLU A 57 22.908 21.220 36.045 1.00 22.40 C ATOM 473 O GLU A 57 23.103 20.077 36.441 1.00 24.19 O ATOM 474 CB GLU A 57 24.789 22.868 36.145 1.00 25.10 C ATOM 475 CG GLU A 57 26.021 23.431 35.477 1.00 26.95 C ATOM 476 CD GLU A 57 27.005 22.399 34.982 1.00 29.85 C ATOM 477 OE1 GLU A 57 27.128 21.318 35.594 1.00 33.51 O ATOM 478 OE2 GLU A 57 27.693 22.706 33.992 1.00 29.38 O ATOM 0 H GLU A 57 23.469 23.482 34.115 1.00 24.88 H new ATOM 0 HA GLU A 57 24.596 21.279 34.885 1.00 23.62 H new ATOM 0 HB2 GLU A 57 24.223 23.601 36.433 1.00 25.10 H new ATOM 0 HB3 GLU A 57 25.055 22.385 36.943 1.00 25.10 H new ATOM 0 HG2 GLU A 57 25.744 23.980 34.727 1.00 26.95 H new ATOM 0 HG3 GLU A 57 26.474 24.016 36.104 1.00 26.95 H new ATOM 479 N ARG A 58 21.758 21.859 36.219 1.00 21.62 N ATOM 480 CA ARG A 58 20.671 21.226 36.936 1.00 22.29 C ATOM 481 C ARG A 58 20.176 20.010 36.169 1.00 23.20 C ATOM 482 O ARG A 58 19.917 18.974 36.773 1.00 23.88 O ATOM 483 CB ARG A 58 19.572 22.221 37.215 1.00 22.97 C ATOM 484 CG ARG A 58 18.298 21.620 37.720 1.00 21.25 C ATOM 485 CD ARG A 58 17.383 22.711 38.093 1.00 24.65 C ATOM 486 NE ARG A 58 16.111 22.160 38.545 1.00 27.55 N ATOM 487 CZ ARG A 58 15.163 21.694 37.741 1.00 30.21 C ATOM 488 NH1 ARG A 58 15.285 21.706 36.423 1.00 27.89 N ATOM 489 NH2 ARG A 58 14.044 21.222 38.271 1.00 30.11 N ATOM 0 H ARG A 58 21.591 22.652 35.931 1.00 21.62 H new ATOM 0 HA ARG A 58 20.991 20.912 37.796 1.00 22.29 H new ATOM 0 HB2 ARG A 58 19.892 22.864 37.867 1.00 22.97 H new ATOM 0 HB3 ARG A 58 19.383 22.713 36.400 1.00 22.97 H new ATOM 0 HG2 ARG A 58 17.895 21.061 37.037 1.00 21.25 H new ATOM 0 HG3 ARG A 58 18.474 21.051 38.486 1.00 21.25 H new ATOM 0 HD2 ARG A 58 17.779 23.250 38.796 1.00 24.65 H new ATOM 0 HD3 ARG A 58 17.239 23.297 37.333 1.00 24.65 H new ATOM 0 HE ARG A 58 15.965 22.135 39.392 1.00 27.55 H new ATOM 0 HH11 ARG A 58 15.997 22.023 36.060 1.00 27.89 H new ATOM 0 HH12 ARG A 58 14.652 21.396 35.930 1.00 27.89 H new ATOM 0 HH21 ARG A 58 13.940 21.221 39.125 1.00 30.11 H new ATOM 0 HH22 ARG A 58 13.422 20.917 37.761 1.00 30.11 H new ATOM 490 N VAL A 59 20.055 20.130 34.852 1.00 23.59 N ATOM 491 CA VAL A 59 19.647 18.973 34.046 1.00 24.67 C ATOM 492 C VAL A 59 20.630 17.833 34.248 1.00 24.91 C ATOM 493 O VAL A 59 20.217 16.700 34.491 1.00 26.36 O ATOM 494 CB VAL A 59 19.546 19.261 32.553 1.00 25.07 C ATOM 495 CG1 VAL A 59 18.993 17.995 31.833 1.00 25.54 C ATOM 496 CG2 VAL A 59 18.638 20.443 32.296 1.00 23.83 C ATOM 0 H VAL A 59 20.200 20.853 34.409 1.00 23.59 H new ATOM 0 HA VAL A 59 18.758 18.738 34.354 1.00 24.67 H new ATOM 0 HB VAL A 59 20.426 19.479 32.209 1.00 25.07 H new ATOM 0 HG11 VAL A 59 18.925 18.168 30.881 1.00 25.54 H new ATOM 0 HG12 VAL A 59 19.594 17.249 31.983 1.00 25.54 H new ATOM 0 HG13 VAL A 59 18.116 17.779 32.186 1.00 25.54 H new ATOM 0 HG21 VAL A 59 18.587 20.610 31.342 1.00 23.83 H new ATOM 0 HG22 VAL A 59 17.751 20.250 32.638 1.00 23.83 H new ATOM 0 HG23 VAL A 59 18.993 21.227 32.743 1.00 23.83 H new ATOM 497 N LYS A 60 21.919 18.146 34.204 1.00 23.48 N ATOM 498 CA LYS A 60 22.953 17.127 34.371 1.00 24.07 C ATOM 499 C LYS A 60 22.810 16.393 35.703 1.00 24.02 C ATOM 500 O LYS A 60 22.942 15.173 35.742 1.00 24.57 O ATOM 501 CB LYS A 60 24.353 17.711 34.249 1.00 24.17 C ATOM 502 CG LYS A 60 24.717 18.247 32.863 1.00 26.81 C ATOM 503 CD LYS A 60 26.093 18.917 32.932 1.00 26.60 C ATOM 504 CE LYS A 60 26.329 19.882 31.793 1.00 32.93 C ATOM 505 NZ LYS A 60 27.670 20.540 31.944 1.00 28.43 N ATOM 0 H LYS A 60 22.218 18.942 34.079 1.00 23.48 H new ATOM 0 HA LYS A 60 22.827 16.489 33.651 1.00 24.07 H new ATOM 0 HB2 LYS A 60 24.445 18.431 34.893 1.00 24.17 H new ATOM 0 HB3 LYS A 60 24.996 17.027 34.495 1.00 24.17 H new ATOM 0 HG2 LYS A 60 24.729 17.524 32.217 1.00 26.81 H new ATOM 0 HG3 LYS A 60 24.049 18.884 32.564 1.00 26.81 H new ATOM 0 HD2 LYS A 60 26.176 19.390 33.775 1.00 26.60 H new ATOM 0 HD3 LYS A 60 26.782 18.234 32.921 1.00 26.60 H new ATOM 0 HE2 LYS A 60 26.285 19.411 30.946 1.00 32.93 H new ATOM 0 HE3 LYS A 60 25.630 20.555 31.780 1.00 32.93 H new ATOM 0 HZ1 LYS A 60 27.795 21.117 31.278 1.00 28.43 H new ATOM 0 HZ2 LYS A 60 27.703 20.973 32.721 1.00 28.43 H new ATOM 0 HZ3 LYS A 60 28.309 19.921 31.923 1.00 28.43 H new ATOM 506 N THR A 61 22.534 17.138 36.774 1.00 23.26 N ATOM 507 CA THR A 61 22.382 16.538 38.106 1.00 24.85 C ATOM 508 C THR A 61 21.156 15.651 38.192 1.00 27.05 C ATOM 509 O THR A 61 21.247 14.514 38.636 1.00 28.61 O ATOM 510 CB THR A 61 22.310 17.614 39.181 1.00 24.22 C ATOM 511 OG1 THR A 61 23.621 18.133 39.312 1.00 26.13 O ATOM 512 CG2 THR A 61 21.916 17.059 40.538 1.00 28.70 C ATOM 0 H THR A 61 22.431 17.992 36.753 1.00 23.26 H new ATOM 0 HA THR A 61 23.166 15.986 38.256 1.00 24.85 H new ATOM 0 HB THR A 61 21.646 18.271 38.920 1.00 24.22 H new ATOM 0 HG1 THR A 61 23.627 18.735 39.898 1.00 26.13 H new ATOM 0 HG21 THR A 61 21.884 17.780 41.186 1.00 28.70 H new ATOM 0 HG22 THR A 61 21.043 16.642 40.476 1.00 28.70 H new ATOM 0 HG23 THR A 61 22.569 16.400 40.820 1.00 28.70 H new ATOM 513 N LEU A 62 20.027 16.187 37.758 1.00 27.99 N ATOM 514 CA LEU A 62 18.781 15.437 37.789 1.00 30.96 C ATOM 515 C LEU A 62 18.818 14.243 36.842 1.00 31.37 C ATOM 516 O LEU A 62 18.355 13.157 37.196 1.00 34.40 O ATOM 517 CB LEU A 62 17.601 16.347 37.484 1.00 30.74 C ATOM 518 CG LEU A 62 17.107 17.271 38.596 1.00 32.99 C ATOM 519 CD1 LEU A 62 18.176 18.064 39.313 1.00 39.67 C ATOM 520 CD2 LEU A 62 16.059 18.216 38.005 1.00 34.43 C ATOM 0 H LEU A 62 19.959 16.984 37.441 1.00 27.99 H new ATOM 0 HA LEU A 62 18.669 15.085 38.686 1.00 30.96 H new ATOM 0 HB2 LEU A 62 17.839 16.898 36.722 1.00 30.74 H new ATOM 0 HB3 LEU A 62 16.857 15.788 37.208 1.00 30.74 H new ATOM 0 HG LEU A 62 16.736 16.694 39.282 1.00 32.99 H new ATOM 0 HD11 LEU A 62 17.766 18.617 39.996 1.00 39.67 H new ATOM 0 HD12 LEU A 62 18.808 17.455 39.726 1.00 39.67 H new ATOM 0 HD13 LEU A 62 18.641 18.629 38.677 1.00 39.67 H new ATOM 0 HD21 LEU A 62 15.733 18.812 38.698 1.00 34.43 H new ATOM 0 HD22 LEU A 62 16.459 18.738 37.292 1.00 34.43 H new ATOM 0 HD23 LEU A 62 15.320 17.698 37.650 1.00 34.43 H new ATOM 521 N ARG A 63 19.384 14.417 35.652 1.00 31.90 N ATOM 522 CA ARG A 63 19.480 13.305 34.693 1.00 32.59 C ATOM 523 C ARG A 63 20.390 12.209 35.239 1.00 31.11 C ATOM 524 O ARG A 63 20.052 11.043 35.127 1.00 30.82 O ATOM 525 CB ARG A 63 19.929 13.759 33.295 1.00 34.35 C ATOM 526 CG ARG A 63 18.820 14.482 32.469 1.00 36.41 C ATOM 527 CD ARG A 63 17.879 13.510 31.759 1.00 39.88 C ATOM 528 NE ARG A 63 18.655 12.628 30.885 1.00 41.62 N ATOM 529 CZ ARG A 63 18.236 11.512 30.297 1.00 41.70 C ATOM 530 NH1 ARG A 63 17.007 11.051 30.464 1.00 38.46 N ATOM 531 NH2 ARG A 63 19.081 10.824 29.529 1.00 46.21 N ATOM 0 H ARG A 63 19.717 15.161 35.377 1.00 31.90 H new ATOM 0 HA ARG A 63 18.586 12.944 34.584 1.00 32.59 H new ATOM 0 HB2 ARG A 63 20.689 14.355 33.388 1.00 34.35 H new ATOM 0 HB3 ARG A 63 20.235 12.985 32.798 1.00 34.35 H new ATOM 0 HG2 ARG A 63 18.303 15.052 33.060 1.00 36.41 H new ATOM 0 HG3 ARG A 63 19.238 15.059 31.811 1.00 36.41 H new ATOM 0 HD2 ARG A 63 17.389 12.985 32.411 1.00 39.88 H new ATOM 0 HD3 ARG A 63 17.223 14.001 31.239 1.00 39.88 H new ATOM 0 HE ARG A 63 19.470 12.857 30.736 1.00 41.62 H new ATOM 0 HH11 ARG A 63 16.453 11.476 30.965 1.00 38.46 H new ATOM 0 HH12 ARG A 63 16.763 10.326 30.071 1.00 38.46 H new ATOM 0 HH21 ARG A 63 19.887 11.104 29.419 1.00 46.21 H new ATOM 0 HH22 ARG A 63 18.820 10.101 29.144 1.00 46.21 H new ATOM 532 N ALA A 64 21.513 12.581 35.856 1.00 28.02 N ATOM 533 CA ALA A 64 22.449 11.615 36.422 1.00 26.22 C ATOM 534 C ALA A 64 21.847 10.674 37.466 1.00 25.62 C ATOM 535 O ALA A 64 22.273 9.536 37.570 1.00 24.60 O ATOM 536 CB ALA A 64 23.663 12.325 37.017 1.00 25.87 C ATOM 0 H ALA A 64 21.751 13.401 35.957 1.00 28.02 H new ATOM 0 HA ALA A 64 22.711 11.056 35.674 1.00 26.22 H new ATOM 0 HB1 ALA A 64 24.273 11.668 37.388 1.00 25.87 H new ATOM 0 HB2 ALA A 64 24.115 12.830 36.323 1.00 25.87 H new ATOM 0 HB3 ALA A 64 23.373 12.929 37.719 1.00 25.87 H new ATOM 537 N ALA A 65 20.880 11.153 38.239 1.00 27.32 N ATOM 538 CA ALA A 65 20.193 10.332 39.246 1.00 27.88 C ATOM 539 C ALA A 65 19.446 9.140 38.627 1.00 28.51 C ATOM 540 O ALA A 65 19.454 8.040 39.176 1.00 30.22 O ATOM 541 CB ALA A 65 19.217 11.199 40.042 1.00 29.63 C ATOM 0 H ALA A 65 20.599 11.965 38.199 1.00 27.32 H new ATOM 0 HA ALA A 65 20.874 9.969 39.834 1.00 27.88 H new ATOM 0 HB1 ALA A 65 18.766 10.653 40.705 1.00 29.63 H new ATOM 0 HB2 ALA A 65 19.704 11.910 40.486 1.00 29.63 H new ATOM 0 HB3 ALA A 65 18.561 11.584 39.440 1.00 29.63 H new ATOM 542 N PHE A 66 18.805 9.385 37.489 1.00 27.52 N ATOM 543 CA PHE A 66 18.030 8.394 36.745 1.00 26.20 C ATOM 544 C PHE A 66 18.316 8.646 35.276 1.00 25.22 C ATOM 545 O PHE A 66 17.505 9.288 34.601 1.00 24.90 O ATOM 546 CB PHE A 66 16.560 8.598 37.060 1.00 26.26 C ATOM 547 CG PHE A 66 16.217 8.334 38.483 1.00 28.55 C ATOM 548 CD1 PHE A 66 15.971 7.040 38.917 1.00 31.97 C ATOM 549 CD2 PHE A 66 16.141 9.380 39.403 1.00 31.69 C ATOM 550 CE1 PHE A 66 15.646 6.776 40.250 1.00 34.94 C ATOM 551 CE2 PHE A 66 15.814 9.131 40.740 1.00 33.32 C ATOM 552 CZ PHE A 66 15.557 7.829 41.159 1.00 30.52 C ATOM 0 H PHE A 66 18.809 10.159 37.115 1.00 27.52 H new ATOM 0 HA PHE A 66 18.263 7.482 36.979 1.00 26.20 H new ATOM 0 HB2 PHE A 66 16.312 9.509 36.839 1.00 26.26 H new ATOM 0 HB3 PHE A 66 16.031 8.015 36.493 1.00 26.26 H new ATOM 0 HD1 PHE A 66 16.023 6.337 38.311 1.00 31.97 H new ATOM 0 HD2 PHE A 66 16.309 10.251 39.125 1.00 31.69 H new ATOM 0 HE1 PHE A 66 15.490 5.903 40.529 1.00 34.94 H new ATOM 0 HE2 PHE A 66 15.768 9.834 41.347 1.00 33.32 H new ATOM 0 HZ PHE A 66 15.326 7.662 42.044 1.00 30.52 H new ATOM 553 N PRO A 67 19.476 8.159 34.785 1.00 26.33 N ATOM 554 CA PRO A 67 19.914 8.469 33.424 1.00 28.71 C ATOM 555 C PRO A 67 19.042 8.010 32.269 1.00 30.96 C ATOM 556 O PRO A 67 19.111 8.631 31.213 1.00 33.86 O ATOM 557 CB PRO A 67 21.325 7.886 33.353 1.00 29.11 C ATOM 558 CG PRO A 67 21.400 6.879 34.413 1.00 29.24 C ATOM 559 CD PRO A 67 20.449 7.303 35.486 1.00 26.66 C ATOM 0 HA PRO A 67 19.861 9.429 33.292 1.00 28.71 H new ATOM 0 HB2 PRO A 67 21.493 7.489 32.484 1.00 29.11 H new ATOM 0 HB3 PRO A 67 21.993 8.577 33.483 1.00 29.11 H new ATOM 0 HG2 PRO A 67 21.163 6.003 34.071 1.00 29.24 H new ATOM 0 HG3 PRO A 67 22.303 6.813 34.761 1.00 29.24 H new ATOM 0 HD2 PRO A 67 20.017 6.539 35.899 1.00 26.66 H new ATOM 0 HD3 PRO A 67 20.904 7.788 36.192 1.00 26.66 H new ATOM 560 N ASP A 68 18.215 6.986 32.467 1.00 29.97 N ATOM 561 CA ASP A 68 17.304 6.535 31.407 1.00 29.21 C ATOM 562 C ASP A 68 15.887 7.055 31.617 1.00 28.80 C ATOM 563 O ASP A 68 14.953 6.544 30.994 1.00 28.89 O ATOM 564 CB ASP A 68 17.319 5.011 31.291 1.00 30.18 C ATOM 565 CG ASP A 68 16.593 4.307 32.417 1.00 31.02 C ATOM 566 OD1 ASP A 68 16.157 4.940 33.410 1.00 31.56 O ATOM 567 OD2 ASP A 68 16.427 3.087 32.271 1.00 31.68 O ATOM 0 H ASP A 68 18.163 6.540 33.200 1.00 29.97 H new ATOM 0 HA ASP A 68 17.624 6.907 30.570 1.00 29.21 H new ATOM 0 HB2 ASP A 68 16.915 4.755 30.447 1.00 30.18 H new ATOM 0 HB3 ASP A 68 18.239 4.705 31.270 1.00 30.18 H new ATOM 568 N GLN A 69 15.718 8.063 32.477 1.00 27.17 N ATOM 569 CA GLN A 69 14.398 8.591 32.766 1.00 27.34 C ATOM 570 C GLN A 69 13.698 9.088 31.519 1.00 28.06 C ATOM 571 O GLN A 69 14.334 9.617 30.611 1.00 28.59 O ATOM 572 CB GLN A 69 14.440 9.708 33.810 1.00 27.24 C ATOM 573 CG GLN A 69 15.115 10.991 33.387 1.00 28.78 C ATOM 574 CD GLN A 69 15.279 11.941 34.546 1.00 27.95 C ATOM 575 OE1 GLN A 69 14.421 12.782 34.776 1.00 30.56 O ATOM 576 NE2 GLN A 69 16.331 11.762 35.324 1.00 27.69 N ATOM 0 H GLN A 69 16.359 8.450 32.900 1.00 27.17 H new ATOM 0 HA GLN A 69 13.890 7.849 33.130 1.00 27.34 H new ATOM 0 HB2 GLN A 69 13.529 9.915 34.072 1.00 27.24 H new ATOM 0 HB3 GLN A 69 14.893 9.371 34.599 1.00 27.24 H new ATOM 0 HG2 GLN A 69 15.985 10.790 33.007 1.00 28.78 H new ATOM 0 HG3 GLN A 69 14.593 11.417 32.690 1.00 28.78 H new ATOM 0 HE21 GLN A 69 16.913 11.160 35.128 1.00 27.69 H new ATOM 0 HE22 GLN A 69 16.434 12.248 36.026 1.00 27.69 H new ATOM 577 N CYS A 70 12.379 8.915 31.494 1.00 27.97 N ATOM 578 CA CYS A 70 11.595 9.293 30.347 1.00 27.10 C ATOM 579 C CYS A 70 10.318 9.918 30.855 1.00 25.24 C ATOM 580 O CYS A 70 9.662 9.351 31.713 1.00 24.41 O ATOM 581 CB CYS A 70 11.268 8.077 29.482 1.00 27.96 C ATOM 582 SG CYS A 70 10.563 8.602 27.922 1.00 34.35 S ATOM 0 H CYS A 70 11.925 8.577 32.141 1.00 27.97 H new ATOM 0 HA CYS A 70 12.094 9.917 29.798 1.00 27.10 H new ATOM 0 HB2 CYS A 70 12.072 7.559 29.323 1.00 27.96 H new ATOM 0 HB3 CYS A 70 10.645 7.498 29.948 1.00 27.96 H new ATOM 0 HG CYS A 70 10.313 7.639 27.251 1.00 34.35 H new ATOM 583 N PHE A 71 10.012 11.093 30.333 1.00 26.47 N ATOM 584 CA PHE A 71 8.786 11.819 30.649 1.00 26.71 C ATOM 585 C PHE A 71 7.778 11.485 29.572 1.00 27.71 C ATOM 586 O PHE A 71 8.119 11.436 28.394 1.00 30.00 O ATOM 587 CB PHE A 71 9.027 13.307 30.671 1.00 27.77 C ATOM 588 CG PHE A 71 9.836 13.744 31.836 1.00 26.75 C ATOM 589 CD1 PHE A 71 11.216 13.550 31.844 1.00 29.79 C ATOM 590 CD2 PHE A 71 9.229 14.325 32.936 1.00 29.59 C ATOM 591 CE1 PHE A 71 11.978 13.948 32.938 1.00 25.28 C ATOM 592 CE2 PHE A 71 9.978 14.731 34.027 1.00 30.43 C ATOM 593 CZ PHE A 71 11.358 14.564 34.024 1.00 25.89 C ATOM 0 H PHE A 71 10.519 11.503 29.773 1.00 26.47 H new ATOM 0 HA PHE A 71 8.466 11.561 31.527 1.00 26.71 H new ATOM 0 HB2 PHE A 71 9.478 13.569 29.853 1.00 27.77 H new ATOM 0 HB3 PHE A 71 8.174 13.768 30.684 1.00 27.77 H new ATOM 0 HD1 PHE A 71 11.631 13.152 31.113 1.00 29.79 H new ATOM 0 HD2 PHE A 71 8.307 14.444 32.942 1.00 29.59 H new ATOM 0 HE1 PHE A 71 12.897 13.804 32.945 1.00 25.28 H new ATOM 0 HE2 PHE A 71 9.558 15.116 34.762 1.00 30.43 H new ATOM 0 HZ PHE A 71 11.866 14.862 34.744 1.00 25.89 H new ATOM 594 N ASP A 72 6.545 11.255 30.002 1.00 27.60 N ATOM 595 CA ASP A 72 5.448 10.878 29.142 1.00 27.07 C ATOM 596 C ASP A 72 4.374 11.908 29.421 1.00 25.56 C ATOM 597 O ASP A 72 3.644 11.800 30.401 1.00 27.04 O ATOM 598 CB ASP A 72 5.032 9.448 29.510 1.00 28.28 C ATOM 599 CG ASP A 72 3.794 8.972 28.788 1.00 32.35 C ATOM 600 OD1 ASP A 72 3.285 9.661 27.877 1.00 36.19 O ATOM 601 OD2 ASP A 72 3.336 7.880 29.174 1.00 38.75 O ATOM 0 H ASP A 72 6.322 11.317 30.830 1.00 27.60 H new ATOM 0 HA ASP A 72 5.653 10.869 28.194 1.00 27.07 H new ATOM 0 HB2 ASP A 72 5.765 8.845 29.311 1.00 28.28 H new ATOM 0 HB3 ASP A 72 4.878 9.400 30.466 1.00 28.28 H new ATOM 602 N ILE A 73 4.275 12.886 28.522 1.00 24.19 N ATOM 603 CA ILE A 73 3.376 14.008 28.702 1.00 23.97 C ATOM 604 C ILE A 73 1.969 13.458 28.595 1.00 23.93 C ATOM 605 O ILE A 73 1.660 12.692 27.682 1.00 25.31 O ATOM 606 CB ILE A 73 3.613 15.111 27.656 1.00 24.81 C ATOM 607 CG1 ILE A 73 5.010 15.711 27.811 1.00 26.43 C ATOM 608 CG2 ILE A 73 2.575 16.237 27.792 1.00 24.50 C ATOM 609 CD1 ILE A 73 5.359 16.692 26.727 1.00 25.49 C ATOM 0 H ILE A 73 4.730 12.912 27.793 1.00 24.19 H new ATOM 0 HA ILE A 73 3.529 14.423 29.565 1.00 23.97 H new ATOM 0 HB ILE A 73 3.528 14.701 26.781 1.00 24.81 H new ATOM 0 HG12 ILE A 73 5.071 16.154 28.672 1.00 26.43 H new ATOM 0 HG13 ILE A 73 5.664 14.995 27.814 1.00 26.43 H new ATOM 0 HG21 ILE A 73 2.746 16.918 27.123 1.00 24.50 H new ATOM 0 HG22 ILE A 73 1.685 15.874 27.663 1.00 24.50 H new ATOM 0 HG23 ILE A 73 2.638 16.630 28.676 1.00 24.50 H new ATOM 0 HD11 ILE A 73 6.253 17.037 26.878 1.00 25.49 H new ATOM 0 HD12 ILE A 73 5.326 16.248 25.865 1.00 25.49 H new ATOM 0 HD13 ILE A 73 4.724 17.425 26.737 1.00 25.49 H new ATOM 610 N GLN A 74 1.157 13.825 29.570 1.00 23.43 N ATOM 611 CA GLN A 74 -0.235 13.437 29.634 1.00 23.12 C ATOM 612 C GLN A 74 -1.112 14.538 29.100 1.00 24.60 C ATOM 613 O GLN A 74 -1.998 14.273 28.304 1.00 29.39 O ATOM 614 CB GLN A 74 -0.631 13.097 31.061 1.00 23.77 C ATOM 615 CG GLN A 74 0.182 11.953 31.618 1.00 22.08 C ATOM 616 CD GLN A 74 0.068 10.707 30.796 1.00 27.06 C ATOM 617 OE1 GLN A 74 1.007 10.322 30.089 1.00 28.22 O ATOM 618 NE2 GLN A 74 -1.100 10.108 30.820 1.00 22.73 N ATOM 0 H GLN A 74 1.407 14.319 30.228 1.00 23.43 H new ATOM 0 HA GLN A 74 -0.356 12.647 29.084 1.00 23.12 H new ATOM 0 HB2 GLN A 74 -0.514 13.879 31.623 1.00 23.77 H new ATOM 0 HB3 GLN A 74 -1.573 12.866 31.088 1.00 23.77 H new ATOM 0 HG2 GLN A 74 1.114 12.218 31.669 1.00 22.08 H new ATOM 0 HG3 GLN A 74 -0.109 11.766 32.524 1.00 22.08 H new ATOM 0 HE21 GLN A 74 -1.727 10.408 31.326 1.00 22.73 H new ATOM 0 HE22 GLN A 74 -1.238 9.415 30.329 1.00 22.73 H new ATOM 619 N GLY A 75 -0.935 15.749 29.591 1.00 25.99 N ATOM 620 CA GLY A 75 -1.740 16.864 29.148 1.00 25.64 C ATOM 621 C GLY A 75 -0.908 18.111 29.044 1.00 26.08 C ATOM 622 O GLY A 75 0.110 18.246 29.731 1.00 24.44 O ATOM 0 H GLY A 75 -0.348 15.947 30.187 1.00 25.99 H new ATOM 0 HA2 GLY A 75 -2.136 16.661 28.286 1.00 25.64 H new ATOM 0 HA3 GLY A 75 -2.471 17.008 29.769 1.00 25.64 H new ATOM 623 N LEU A 76 -1.329 19.006 28.153 1.00 25.24 N ATOM 624 CA LEU A 76 -0.697 20.322 28.003 1.00 25.19 C ATOM 625 C LEU A 76 -1.844 21.298 28.065 1.00 24.20 C ATOM 626 O LEU A 76 -2.792 21.155 27.306 1.00 22.99 O ATOM 627 CB LEU A 76 0.039 20.455 26.684 1.00 26.59 C ATOM 628 CG LEU A 76 1.318 19.639 26.594 1.00 25.82 C ATOM 629 CD1 LEU A 76 1.863 19.681 25.189 1.00 27.63 C ATOM 630 CD2 LEU A 76 2.365 20.125 27.588 1.00 26.73 C ATOM 0 H LEU A 76 -1.988 18.870 27.618 1.00 25.24 H new ATOM 0 HA LEU A 76 -0.029 20.475 28.690 1.00 25.19 H new ATOM 0 HB2 LEU A 76 -0.555 20.185 25.966 1.00 26.59 H new ATOM 0 HB3 LEU A 76 0.254 21.390 26.539 1.00 26.59 H new ATOM 0 HG LEU A 76 1.103 18.721 26.823 1.00 25.82 H new ATOM 0 HD11 LEU A 76 2.678 19.158 25.142 1.00 27.63 H new ATOM 0 HD12 LEU A 76 1.207 19.313 24.576 1.00 27.63 H new ATOM 0 HD13 LEU A 76 2.054 20.600 24.943 1.00 27.63 H new ATOM 0 HD21 LEU A 76 3.166 19.585 27.505 1.00 26.73 H new ATOM 0 HD22 LEU A 76 2.581 21.053 27.404 1.00 26.73 H new ATOM 0 HD23 LEU A 76 2.016 20.048 28.490 1.00 26.73 H new ATOM 631 N PHE A 77 -1.760 22.244 28.998 1.00 22.79 N ATOM 632 CA PHE A 77 -2.835 23.191 29.258 1.00 23.75 C ATOM 633 C PHE A 77 -2.230 24.579 29.135 1.00 23.86 C ATOM 634 O PHE A 77 -1.494 24.996 30.012 1.00 24.90 O ATOM 635 CB PHE A 77 -3.417 22.921 30.639 1.00 24.78 C ATOM 636 CG PHE A 77 -3.775 21.493 30.841 1.00 24.94 C ATOM 637 CD1 PHE A 77 -5.020 21.012 30.459 1.00 24.57 C ATOM 638 CD2 PHE A 77 -2.845 20.605 31.390 1.00 26.54 C ATOM 639 CE1 PHE A 77 -5.341 19.659 30.640 1.00 23.41 C ATOM 640 CE2 PHE A 77 -3.164 19.271 31.545 1.00 25.39 C ATOM 641 CZ PHE A 77 -4.405 18.804 31.184 1.00 25.37 C ATOM 0 H PHE A 77 -1.071 22.353 29.501 1.00 22.79 H new ATOM 0 HA PHE A 77 -3.568 23.107 28.629 1.00 23.75 H new ATOM 0 HB2 PHE A 77 -2.774 23.188 31.315 1.00 24.78 H new ATOM 0 HB3 PHE A 77 -4.207 23.470 30.766 1.00 24.78 H new ATOM 0 HD1 PHE A 77 -5.644 21.589 30.082 1.00 24.57 H new ATOM 0 HD2 PHE A 77 -2.008 20.914 31.652 1.00 26.54 H new ATOM 0 HE1 PHE A 77 -6.180 19.340 30.395 1.00 23.41 H new ATOM 0 HE2 PHE A 77 -2.534 18.684 31.896 1.00 25.39 H new ATOM 0 HZ PHE A 77 -4.615 17.906 31.307 1.00 25.37 H new ATOM 642 N ALA A 78 -2.515 25.258 28.024 1.00 23.52 N ATOM 643 CA ALA A 78 -1.925 26.548 27.686 1.00 24.03 C ATOM 644 C ALA A 78 -2.861 27.647 28.150 1.00 25.54 C ATOM 645 O ALA A 78 -4.053 27.597 27.883 1.00 26.76 O ATOM 646 CB ALA A 78 -1.684 26.689 26.167 1.00 24.63 C ATOM 0 H ALA A 78 -3.071 24.972 27.433 1.00 23.52 H new ATOM 0 HA ALA A 78 -1.065 26.616 28.129 1.00 24.03 H new ATOM 0 HB1 ALA A 78 -1.292 27.556 25.980 1.00 24.63 H new ATOM 0 HB2 ALA A 78 -1.080 25.991 25.869 1.00 24.63 H new ATOM 0 HB3 ALA A 78 -2.528 26.608 25.696 1.00 24.63 H new ATOM 647 N ASP A 79 -2.327 28.622 28.873 1.00 26.39 N ATOM 648 CA ASP A 79 -3.124 29.774 29.269 1.00 26.55 C ATOM 649 C ASP A 79 -2.168 30.925 29.445 1.00 27.53 C ATOM 650 O ASP A 79 -1.285 30.866 30.297 1.00 25.40 O ATOM 651 CB ASP A 79 -3.875 29.503 30.563 1.00 26.31 C ATOM 652 CG ASP A 79 -4.785 30.635 30.968 1.00 26.54 C ATOM 653 OD1 ASP A 79 -4.735 31.735 30.380 1.00 32.89 O ATOM 654 OD2 ASP A 79 -5.618 30.410 31.855 1.00 26.67 O ATOM 0 H ASP A 79 -1.511 28.637 29.143 1.00 26.39 H new ATOM 0 HA ASP A 79 -3.791 29.973 28.594 1.00 26.55 H new ATOM 0 HB2 ASP A 79 -4.400 28.694 30.462 1.00 26.31 H new ATOM 0 HB3 ASP A 79 -3.235 29.340 31.274 1.00 26.31 H new ATOM 655 N GLY A 80 -2.358 31.961 28.630 1.00 30.75 N ATOM 656 CA GLY A 80 -1.537 33.167 28.710 1.00 30.64 C ATOM 657 C GLY A 80 -0.110 32.832 28.355 1.00 30.38 C ATOM 658 O GLY A 80 0.125 32.127 27.377 1.00 34.45 O ATOM 0 H GLY A 80 -2.963 31.985 28.019 1.00 30.75 H new ATOM 0 HA2 GLY A 80 -1.880 33.844 28.105 1.00 30.64 H new ATOM 0 HA3 GLY A 80 -1.579 33.539 29.605 1.00 30.64 H new ATOM 659 N ASP A 81 0.816 33.257 29.215 1.00 28.64 N ATOM 660 CA ASP A 81 2.253 33.005 29.080 1.00 28.50 C ATOM 661 C ASP A 81 2.742 31.677 29.642 1.00 27.07 C ATOM 662 O ASP A 81 3.954 31.478 29.784 1.00 28.26 O ATOM 663 CB ASP A 81 3.049 34.172 29.722 1.00 31.00 C ATOM 664 CG ASP A 81 2.936 34.258 31.263 1.00 37.29 C ATOM 665 OD1 ASP A 81 2.074 33.606 31.898 1.00 43.64 O ATOM 666 OD2 ASP A 81 3.712 35.041 31.858 1.00 40.14 O ATOM 0 H ASP A 81 0.619 33.715 29.916 1.00 28.64 H new ATOM 0 HA ASP A 81 2.413 32.948 28.125 1.00 28.50 H new ATOM 0 HB2 ASP A 81 3.985 34.080 29.483 1.00 31.00 H new ATOM 0 HB3 ASP A 81 2.739 35.008 29.340 1.00 31.00 H new ATOM 667 N ALA A 82 1.816 30.772 29.944 1.00 25.56 N ATOM 668 CA ALA A 82 2.155 29.514 30.579 1.00 25.04 C ATOM 669 C ALA A 82 1.532 28.334 29.870 1.00 24.39 C ATOM 670 O ALA A 82 0.488 28.447 29.237 1.00 24.09 O ATOM 671 CB ALA A 82 1.718 29.521 32.019 1.00 25.56 C ATOM 0 H ALA A 82 0.977 30.874 29.785 1.00 25.56 H new ATOM 0 HA ALA A 82 3.119 29.420 30.528 1.00 25.04 H new ATOM 0 HB1 ALA A 82 1.950 28.675 32.432 1.00 25.56 H new ATOM 0 HB2 ALA A 82 2.164 30.243 32.489 1.00 25.56 H new ATOM 0 HB3 ALA A 82 0.758 29.650 32.065 1.00 25.56 H new ATOM 672 N VAL A 83 2.215 27.205 29.984 1.00 24.55 N ATOM 673 CA VAL A 83 1.683 25.934 29.551 1.00 24.01 C ATOM 674 C VAL A 83 1.971 24.981 30.695 1.00 22.64 C ATOM 675 O VAL A 83 3.112 24.805 31.079 1.00 24.80 O ATOM 676 CB VAL A 83 2.269 25.399 28.264 1.00 25.33 C ATOM 677 CG1 VAL A 83 1.562 24.075 27.888 1.00 26.01 C ATOM 678 CG2 VAL A 83 2.093 26.438 27.134 1.00 23.84 C ATOM 0 H VAL A 83 3.006 27.159 30.318 1.00 24.55 H new ATOM 0 HA VAL A 83 0.740 26.036 29.349 1.00 24.01 H new ATOM 0 HB VAL A 83 3.216 25.230 28.386 1.00 25.33 H new ATOM 0 HG11 VAL A 83 1.937 23.731 27.062 1.00 26.01 H new ATOM 0 HG12 VAL A 83 1.692 23.426 28.597 1.00 26.01 H new ATOM 0 HG13 VAL A 83 0.613 24.237 27.769 1.00 26.01 H new ATOM 0 HG21 VAL A 83 2.471 26.089 26.312 1.00 23.84 H new ATOM 0 HG22 VAL A 83 1.149 26.619 27.005 1.00 23.84 H new ATOM 0 HG23 VAL A 83 2.549 27.259 27.376 1.00 23.84 H new ATOM 679 N VAL A 84 0.917 24.403 31.235 1.00 23.34 N ATOM 680 CA VAL A 84 1.045 23.395 32.274 1.00 23.34 C ATOM 681 C VAL A 84 1.152 22.048 31.578 1.00 23.41 C ATOM 682 O VAL A 84 0.345 21.750 30.692 1.00 24.91 O ATOM 683 CB VAL A 84 -0.139 23.366 33.221 1.00 22.23 C ATOM 684 CG1 VAL A 84 0.148 22.342 34.349 1.00 24.40 C ATOM 685 CG2 VAL A 84 -0.425 24.746 33.840 1.00 25.82 C ATOM 0 H VAL A 84 0.106 24.581 31.012 1.00 23.34 H new ATOM 0 HA VAL A 84 1.826 23.602 32.810 1.00 23.34 H new ATOM 0 HB VAL A 84 -0.924 23.109 32.713 1.00 22.23 H new ATOM 0 HG11 VAL A 84 -0.604 22.315 34.961 1.00 24.40 H new ATOM 0 HG12 VAL A 84 0.280 21.463 33.962 1.00 24.40 H new ATOM 0 HG13 VAL A 84 0.947 22.606 34.831 1.00 24.40 H new ATOM 0 HG21 VAL A 84 -1.187 24.682 34.437 1.00 25.82 H new ATOM 0 HG22 VAL A 84 0.351 25.044 34.339 1.00 25.82 H new ATOM 0 HG23 VAL A 84 -0.620 25.383 33.135 1.00 25.82 H new HETATM 686 N MSE A 85 2.139 21.240 31.974 1.00 24.58 N HETATM 687 CA MSE A 85 2.351 19.925 31.438 1.00 25.25 C HETATM 688 C MSE A 85 2.153 18.962 32.593 1.00 24.47 C HETATM 689 O MSE A 85 2.767 19.133 33.642 1.00 26.07 O HETATM 690 CB MSE A 85 3.793 19.799 30.947 1.00 25.46 C HETATM 691 CG MSE A 85 4.114 18.509 30.274 1.00 25.74 C HETATM 692 SE MSE A 85 6.068 18.700 30.019 0.75 38.49 SE HETATM 693 CE MSE A 85 6.824 18.115 31.605 1.00 45.34 C HETATM 0 H MSE A 85 2.710 21.460 32.578 1.00 24.58 H new HETATM 0 HA MSE A 85 1.748 19.745 30.700 1.00 25.25 H new HETATM 0 HB2 MSE A 85 3.976 20.525 30.330 1.00 25.46 H new HETATM 0 HB3 MSE A 85 4.390 19.912 31.703 1.00 25.46 H new HETATM 0 HG2 MSE A 85 3.888 17.742 30.823 1.00 25.74 H new HETATM 0 HG3 MSE A 85 3.642 18.405 29.433 1.00 25.74 H new HETATM 0 HE1 MSE A 85 7.790 18.183 31.548 1.00 45.34 H new HETATM 0 HE2 MSE A 85 6.505 18.665 32.338 1.00 45.34 H new HETATM 0 HE3 MSE A 85 6.574 17.191 31.762 1.00 45.34 H new ATOM 694 N THR A 86 1.255 18.019 32.425 1.00 22.95 N ATOM 695 CA THR A 86 1.116 16.917 33.367 1.00 22.41 C ATOM 696 C THR A 86 1.845 15.788 32.691 1.00 22.96 C ATOM 697 O THR A 86 1.843 15.671 31.466 1.00 25.16 O ATOM 698 CB THR A 86 -0.327 16.569 33.661 1.00 22.46 C ATOM 699 OG1 THR A 86 -1.031 16.365 32.444 1.00 22.86 O ATOM 700 CG2 THR A 86 -0.981 17.701 34.453 1.00 23.75 C ATOM 0 H THR A 86 0.705 17.992 31.764 1.00 22.95 H new ATOM 0 HA THR A 86 1.478 17.134 34.241 1.00 22.41 H new ATOM 0 HB THR A 86 -0.357 15.754 34.186 1.00 22.46 H new ATOM 0 HG1 THR A 86 -1.698 15.874 32.585 1.00 22.86 H new ATOM 0 HG21 THR A 86 -1.905 17.474 34.639 1.00 23.75 H new ATOM 0 HG22 THR A 86 -0.505 17.828 35.289 1.00 23.75 H new ATOM 0 HG23 THR A 86 -0.948 18.520 33.934 1.00 23.75 H new ATOM 701 N TRP A 87 2.454 14.926 33.505 1.00 22.87 N ATOM 702 CA TRP A 87 3.282 13.873 32.981 1.00 22.59 C ATOM 703 C TRP A 87 3.448 12.714 33.927 1.00 22.74 C ATOM 704 O TRP A 87 3.238 12.839 35.133 1.00 24.40 O ATOM 705 CB TRP A 87 4.666 14.416 32.628 1.00 21.44 C ATOM 706 CG TRP A 87 5.271 15.315 33.663 1.00 21.94 C ATOM 707 CD1 TRP A 87 5.166 16.635 33.708 1.00 23.58 C ATOM 708 CD2 TRP A 87 6.086 14.933 34.772 1.00 24.87 C ATOM 709 NE1 TRP A 87 5.834 17.153 34.782 1.00 23.64 N ATOM 710 CE2 TRP A 87 6.419 16.125 35.468 1.00 24.86 C ATOM 711 CE3 TRP A 87 6.537 13.714 35.266 1.00 23.41 C ATOM 712 CZ2 TRP A 87 7.225 16.135 36.592 1.00 26.75 C ATOM 713 CZ3 TRP A 87 7.337 13.705 36.409 1.00 25.22 C ATOM 714 CH2 TRP A 87 7.667 14.919 37.067 1.00 25.18 C ATOM 0 H TRP A 87 2.393 14.943 34.363 1.00 22.87 H new ATOM 0 HA TRP A 87 2.825 13.544 32.191 1.00 22.59 H new ATOM 0 HB2 TRP A 87 5.265 13.668 32.478 1.00 21.44 H new ATOM 0 HB3 TRP A 87 4.605 14.902 31.791 1.00 21.44 H new ATOM 0 HD1 TRP A 87 4.697 17.145 33.087 1.00 23.58 H new ATOM 0 HE1 TRP A 87 5.879 17.986 34.991 1.00 23.64 H new ATOM 0 HE3 TRP A 87 6.309 12.918 34.842 1.00 23.41 H new ATOM 0 HZ2 TRP A 87 7.460 16.931 37.011 1.00 26.75 H new ATOM 0 HZ3 TRP A 87 7.656 12.898 36.742 1.00 25.22 H new ATOM 0 HH2 TRP A 87 8.192 14.893 37.834 1.00 25.18 H new ATOM 715 N LEU A 88 3.764 11.585 33.311 1.00 22.89 N ATOM 716 CA LEU A 88 4.171 10.380 33.979 1.00 21.17 C ATOM 717 C LEU A 88 5.645 10.308 33.662 1.00 22.93 C ATOM 718 O LEU A 88 6.150 10.952 32.738 1.00 24.20 O ATOM 719 CB LEU A 88 3.443 9.181 33.414 1.00 23.03 C ATOM 720 CG LEU A 88 1.933 9.300 33.548 1.00 20.48 C ATOM 721 CD1 LEU A 88 1.309 8.067 32.938 1.00 23.49 C ATOM 722 CD2 LEU A 88 1.431 9.519 34.962 1.00 24.91 C ATOM 0 H LEU A 88 3.744 11.505 32.455 1.00 22.89 H new ATOM 0 HA LEU A 88 3.979 10.382 34.930 1.00 21.17 H new ATOM 0 HB2 LEU A 88 3.674 9.078 32.478 1.00 23.03 H new ATOM 0 HB3 LEU A 88 3.743 8.380 33.871 1.00 23.03 H new ATOM 0 HG LEU A 88 1.666 10.104 33.076 1.00 20.48 H new ATOM 0 HD11 LEU A 88 0.343 8.122 33.013 1.00 23.49 H new ATOM 0 HD12 LEU A 88 1.558 8.007 32.002 1.00 23.49 H new ATOM 0 HD13 LEU A 88 1.625 7.279 33.407 1.00 23.49 H new ATOM 0 HD21 LEU A 88 0.463 9.583 34.956 1.00 24.91 H new ATOM 0 HD22 LEU A 88 1.702 8.774 35.521 1.00 24.91 H new ATOM 0 HD23 LEU A 88 1.807 10.340 35.315 1.00 24.91 H new ATOM 723 N TRP A 89 6.330 9.487 34.433 1.00 22.60 N ATOM 724 CA TRP A 89 7.760 9.394 34.349 1.00 22.81 C ATOM 725 C TRP A 89 8.146 8.010 34.740 1.00 23.63 C ATOM 726 O TRP A 89 7.514 7.407 35.614 1.00 25.12 O ATOM 727 CB TRP A 89 8.281 10.386 35.357 1.00 24.94 C ATOM 728 CG TRP A 89 9.722 10.505 35.533 1.00 22.85 C ATOM 729 CD1 TRP A 89 10.523 11.383 34.902 1.00 25.23 C ATOM 730 CD2 TRP A 89 10.538 9.800 36.466 1.00 22.92 C ATOM 731 NE1 TRP A 89 11.792 11.286 35.369 1.00 23.75 N ATOM 732 CE2 TRP A 89 11.839 10.317 36.337 1.00 25.50 C ATOM 733 CE3 TRP A 89 10.292 8.808 37.427 1.00 22.21 C ATOM 734 CZ2 TRP A 89 12.893 9.866 37.113 1.00 24.97 C ATOM 735 CZ3 TRP A 89 11.338 8.352 38.194 1.00 22.98 C ATOM 736 CH2 TRP A 89 12.631 8.863 38.024 1.00 24.60 C ATOM 0 H TRP A 89 5.974 8.969 35.020 1.00 22.60 H new ATOM 0 HA TRP A 89 8.110 9.579 33.463 1.00 22.81 H new ATOM 0 HB2 TRP A 89 7.940 11.261 35.113 1.00 24.94 H new ATOM 0 HB3 TRP A 89 7.896 10.161 36.218 1.00 24.94 H new ATOM 0 HD1 TRP A 89 10.245 11.973 34.239 1.00 25.23 H new ATOM 0 HE1 TRP A 89 12.460 11.757 35.101 1.00 23.75 H new ATOM 0 HE3 TRP A 89 9.436 8.465 37.543 1.00 22.21 H new ATOM 0 HZ2 TRP A 89 13.746 10.226 37.024 1.00 24.97 H new ATOM 0 HZ3 TRP A 89 11.185 7.695 38.834 1.00 22.98 H new ATOM 0 HH2 TRP A 89 13.327 8.519 38.536 1.00 24.60 H new ATOM 737 N THR A 90 9.135 7.479 34.038 1.00 23.12 N ATOM 738 CA THR A 90 9.638 6.169 34.326 1.00 23.22 C ATOM 739 C THR A 90 11.140 6.265 34.241 1.00 22.64 C ATOM 740 O THR A 90 11.662 7.048 33.458 1.00 24.68 O ATOM 741 CB THR A 90 9.125 5.139 33.309 1.00 24.31 C ATOM 742 OG1 THR A 90 9.556 5.514 31.999 1.00 30.53 O ATOM 743 CG2 THR A 90 7.592 5.080 33.341 1.00 25.78 C ATOM 0 H THR A 90 9.527 7.875 33.383 1.00 23.12 H new ATOM 0 HA THR A 90 9.342 5.876 35.202 1.00 23.22 H new ATOM 0 HB THR A 90 9.480 4.265 33.537 1.00 24.31 H new ATOM 0 HG1 THR A 90 9.037 6.097 31.689 1.00 30.53 H new ATOM 0 HG21 THR A 90 7.280 4.427 32.695 1.00 25.78 H new ATOM 0 HG22 THR A 90 7.296 4.824 34.229 1.00 25.78 H new ATOM 0 HG23 THR A 90 7.230 5.952 33.119 1.00 25.78 H new ATOM 744 N ALA A 91 11.805 5.495 35.078 1.00 23.13 N ATOM 745 CA ALA A 91 13.264 5.422 35.090 1.00 23.53 C ATOM 746 C ALA A 91 13.623 4.130 35.781 1.00 25.34 C ATOM 747 O ALA A 91 12.832 3.603 36.555 1.00 26.37 O ATOM 748 CB ALA A 91 13.827 6.596 35.837 1.00 24.22 C ATOM 0 H ALA A 91 11.425 4.992 35.664 1.00 23.13 H new ATOM 0 HA ALA A 91 13.630 5.445 34.192 1.00 23.53 H new ATOM 0 HB1 ALA A 91 14.796 6.542 35.842 1.00 24.22 H new ATOM 0 HB2 ALA A 91 13.551 7.418 35.403 1.00 24.22 H new ATOM 0 HB3 ALA A 91 13.499 6.587 36.750 1.00 24.22 H new ATOM 749 N THR A 92 14.789 3.603 35.442 1.00 27.66 N ATOM 750 CA THR A 92 15.317 2.388 36.039 1.00 29.09 C ATOM 751 C THR A 92 16.131 2.845 37.231 1.00 30.08 C ATOM 752 O THR A 92 16.860 3.836 37.128 1.00 29.59 O ATOM 753 CB THR A 92 16.262 1.661 35.067 1.00 28.83 C ATOM 754 OG1 THR A 92 15.576 1.436 33.834 1.00 30.80 O ATOM 755 CG2 THR A 92 16.704 0.340 35.633 1.00 28.71 C ATOM 0 H THR A 92 15.306 3.948 34.847 1.00 27.66 H new ATOM 0 HA THR A 92 14.597 1.781 36.272 1.00 29.09 H new ATOM 0 HB THR A 92 17.047 2.213 34.925 1.00 28.83 H new ATOM 0 HG1 THR A 92 16.004 1.794 33.206 1.00 30.80 H new ATOM 0 HG21 THR A 92 17.298 -0.099 35.004 1.00 28.71 H new ATOM 0 HG22 THR A 92 17.172 0.487 36.470 1.00 28.71 H new ATOM 0 HG23 THR A 92 15.928 -0.221 35.790 1.00 28.71 H new ATOM 756 N HIS A 93 16.013 2.128 38.343 1.00 33.40 N ATOM 757 CA HIS A 93 16.775 2.438 39.552 1.00 36.92 C ATOM 758 C HIS A 93 18.122 1.732 39.390 1.00 39.74 C ATOM 759 O HIS A 93 18.343 0.670 39.974 1.00 40.53 O ATOM 760 CB HIS A 93 15.996 1.986 40.796 1.00 37.42 C ATOM 761 CG HIS A 93 16.701 2.243 42.089 1.00 35.45 C ATOM 762 ND1 HIS A 93 16.556 1.419 43.183 1.00 40.35 N ATOM 763 CD2 HIS A 93 17.595 3.195 42.446 1.00 38.48 C ATOM 764 CE1 HIS A 93 17.302 1.876 44.173 1.00 40.88 C ATOM 765 NE2 HIS A 93 17.944 2.951 43.752 1.00 37.83 N ATOM 0 H HIS A 93 15.491 1.449 38.420 1.00 33.40 H new ATOM 0 HA HIS A 93 16.920 3.389 39.673 1.00 36.92 H new ATOM 0 HB2 HIS A 93 15.139 2.440 40.811 1.00 37.42 H new ATOM 0 HB3 HIS A 93 15.813 1.036 40.723 1.00 37.42 H new ATOM 0 HD2 HIS A 93 17.913 3.884 41.908 1.00 38.48 H new ATOM 0 HE1 HIS A 93 17.365 1.504 45.023 1.00 40.88 H new ATOM 0 HE2 HIS A 93 18.491 3.422 44.219 1.00 37.83 H new ATOM 766 N LYS A 94 19.003 2.329 38.584 1.00 42.82 N ATOM 767 CA LYS A 94 20.322 1.743 38.273 1.00 46.44 C ATOM 768 C LYS A 94 21.556 2.534 38.737 1.00 48.02 C ATOM 769 O LYS A 94 22.686 2.044 38.596 1.00 48.26 O ATOM 770 CB LYS A 94 20.408 1.376 36.788 1.00 46.57 C ATOM 771 CG LYS A 94 20.343 2.528 35.814 1.00 48.23 C ATOM 772 CD LYS A 94 20.355 1.979 34.392 1.00 48.88 C ATOM 773 CE LYS A 94 20.554 3.079 33.379 1.00 53.32 C ATOM 774 NZ LYS A 94 19.521 4.133 33.523 1.00 55.94 N ATOM 0 H LYS A 94 18.858 3.085 38.200 1.00 42.82 H new ATOM 0 HA LYS A 94 20.363 0.942 38.818 1.00 46.44 H new ATOM 0 HB2 LYS A 94 21.238 0.897 36.639 1.00 46.57 H new ATOM 0 HB3 LYS A 94 19.686 0.762 36.583 1.00 46.57 H new ATOM 0 HG2 LYS A 94 19.539 3.049 35.965 1.00 48.23 H new ATOM 0 HG3 LYS A 94 21.096 3.124 35.949 1.00 48.23 H new ATOM 0 HD2 LYS A 94 21.064 1.323 34.303 1.00 48.88 H new ATOM 0 HD3 LYS A 94 19.519 1.520 34.214 1.00 48.88 H new ATOM 0 HE2 LYS A 94 21.435 3.469 33.490 1.00 53.32 H new ATOM 0 HE3 LYS A 94 20.519 2.708 32.483 1.00 53.32 H new ATOM 0 HZ1 LYS A 94 19.615 4.732 32.871 1.00 55.94 H new ATOM 0 HZ2 LYS A 94 18.712 3.765 33.473 1.00 55.94 H new ATOM 0 HZ3 LYS A 94 19.615 4.536 34.311 1.00 55.94 H new ATOM 775 N GLU A 95 21.344 3.731 39.282 1.00 49.31 N ATOM 776 CA GLU A 95 22.397 4.524 39.910 1.00 50.74 C ATOM 777 C GLU A 95 22.151 4.458 41.413 1.00 52.56 C ATOM 778 O GLU A 95 20.998 4.379 41.858 1.00 51.95 O ATOM 779 CB GLU A 95 22.366 5.978 39.434 1.00 50.58 C ATOM 780 CG GLU A 95 22.845 6.166 37.997 1.00 51.01 C ATOM 781 CD GLU A 95 24.356 6.053 37.806 1.00 51.15 C ATOM 782 OE1 GLU A 95 25.116 5.912 38.792 1.00 48.57 O ATOM 783 OE2 GLU A 95 24.790 6.124 36.637 1.00 50.89 O ATOM 0 H GLU A 95 20.572 4.110 39.297 1.00 49.31 H new ATOM 0 HA GLU A 95 23.270 4.172 39.673 1.00 50.74 H new ATOM 0 HB2 GLU A 95 21.460 6.315 39.511 1.00 50.58 H new ATOM 0 HB3 GLU A 95 22.919 6.514 40.023 1.00 50.58 H new ATOM 0 HG2 GLU A 95 22.410 5.505 37.435 1.00 51.01 H new ATOM 0 HG3 GLU A 95 22.556 7.038 37.685 1.00 51.01 H new ATOM 784 N ASP A 96 23.237 4.469 42.185 1.00 54.40 N ATOM 785 CA ASP A 96 23.149 4.499 43.641 1.00 56.43 C ATOM 786 C ASP A 96 22.726 5.910 44.062 1.00 58.19 C ATOM 787 O ASP A 96 23.318 6.900 43.620 1.00 58.33 O ATOM 788 CB ASP A 96 24.483 4.125 44.309 1.00 56.63 C ATOM 789 CG ASP A 96 24.892 2.671 44.071 1.00 58.19 C ATOM 790 OD1 ASP A 96 24.056 1.833 43.670 1.00 59.51 O ATOM 791 OD2 ASP A 96 26.078 2.352 44.309 1.00 61.76 O ATOM 0 H ASP A 96 24.041 4.459 41.880 1.00 54.40 H new ATOM 0 HA ASP A 96 22.497 3.841 43.930 1.00 56.43 H new ATOM 0 HB2 ASP A 96 25.181 4.710 43.974 1.00 56.63 H new ATOM 0 HB3 ASP A 96 24.415 4.283 45.264 1.00 56.63 H new ATOM 792 N ILE A 97 21.677 5.981 44.880 1.00 59.96 N ATOM 793 CA ILE A 97 21.143 7.238 45.425 1.00 61.24 C ATOM 794 C ILE A 97 21.222 7.130 46.959 1.00 61.92 C ATOM 795 O ILE A 97 21.403 6.015 47.469 1.00 61.44 O ATOM 796 CB ILE A 97 19.717 7.575 44.872 1.00 61.29 C ATOM 797 CG1 ILE A 97 18.748 6.393 44.972 1.00 61.40 C ATOM 798 CG2 ILE A 97 19.809 8.011 43.408 1.00 62.54 C ATOM 799 CD1 ILE A 97 17.344 6.729 44.513 1.00 60.65 C ATOM 0 H ILE A 97 21.244 5.286 45.142 1.00 59.96 H new ATOM 0 HA ILE A 97 21.673 7.996 45.134 1.00 61.24 H new ATOM 0 HB ILE A 97 19.371 8.294 45.423 1.00 61.29 H new ATOM 0 HG12 ILE A 97 19.089 5.658 44.439 1.00 61.40 H new ATOM 0 HG13 ILE A 97 18.716 6.086 45.892 1.00 61.40 H new ATOM 0 HG21 ILE A 97 18.922 8.217 43.075 1.00 62.54 H new ATOM 0 HG22 ILE A 97 20.371 8.799 43.339 1.00 62.54 H new ATOM 0 HG23 ILE A 97 20.193 7.294 42.880 1.00 62.54 H new ATOM 0 HD11 ILE A 97 16.779 5.945 44.599 1.00 60.65 H new ATOM 0 HD12 ILE A 97 16.987 7.446 45.060 1.00 60.65 H new ATOM 0 HD13 ILE A 97 17.365 7.011 43.585 1.00 60.65 H new ATOM 800 N PRO A 98 21.145 8.268 47.693 1.00 62.71 N ATOM 801 CA PRO A 98 21.253 8.233 49.165 1.00 62.76 C ATOM 802 C PRO A 98 20.359 7.192 49.869 1.00 63.20 C ATOM 803 O PRO A 98 19.129 7.299 49.847 1.00 63.28 O ATOM 804 CB PRO A 98 20.886 9.667 49.576 1.00 63.06 C ATOM 805 CG PRO A 98 21.303 10.493 48.415 1.00 63.43 C ATOM 806 CD PRO A 98 20.980 9.657 47.211 1.00 62.77 C ATOM 0 HA PRO A 98 22.141 7.952 49.437 1.00 62.76 H new ATOM 0 HB2 PRO A 98 19.936 9.754 49.751 1.00 63.06 H new ATOM 0 HB3 PRO A 98 21.349 9.934 50.386 1.00 63.06 H new ATOM 0 HG2 PRO A 98 20.826 11.337 48.395 1.00 63.43 H new ATOM 0 HG3 PRO A 98 22.249 10.702 48.454 1.00 63.43 H new ATOM 0 HD2 PRO A 98 20.077 9.820 46.896 1.00 62.77 H new ATOM 0 HD3 PRO A 98 21.578 9.851 46.472 1.00 62.77 H new ATOM 807 N GLY A 99 21.000 6.155 50.412 1.00 63.54 N ATOM 808 CA GLY A 99 20.326 5.060 51.117 1.00 63.66 C ATOM 809 C GLY A 99 19.785 3.904 50.286 1.00 63.68 C ATOM 810 O GLY A 99 19.505 2.837 50.846 1.00 63.38 O ATOM 0 H GLY A 99 21.855 6.066 50.381 1.00 63.54 H new ATOM 0 HA2 GLY A 99 20.949 4.695 51.765 1.00 63.66 H new ATOM 0 HA3 GLY A 99 19.586 5.439 51.617 1.00 63.66 H new ATOM 811 N PHE A 100 19.639 4.103 48.971 1.00 63.79 N ATOM 812 CA PHE A 100 19.063 3.105 48.052 1.00 63.55 C ATOM 813 C PHE A 100 19.965 2.840 46.856 1.00 62.52 C ATOM 814 O PHE A 100 19.868 3.539 45.842 1.00 62.99 O ATOM 815 CB PHE A 100 17.646 3.526 47.643 1.00 63.83 C ATOM 816 CG PHE A 100 16.750 3.614 48.819 1.00 63.89 C ATOM 817 CD1 PHE A 100 16.191 2.454 49.344 1.00 64.60 C ATOM 818 CD2 PHE A 100 16.603 4.816 49.504 1.00 64.41 C ATOM 819 CE1 PHE A 100 15.424 2.499 50.494 1.00 64.91 C ATOM 820 CE2 PHE A 100 15.843 4.876 50.655 1.00 64.66 C ATOM 821 CZ PHE A 100 15.260 3.711 51.151 1.00 64.86 C ATOM 0 H PHE A 100 19.875 4.832 48.580 1.00 63.79 H new ATOM 0 HA PHE A 100 18.998 2.258 48.520 1.00 63.55 H new ATOM 0 HB2 PHE A 100 17.679 4.385 47.194 1.00 63.83 H new ATOM 0 HB3 PHE A 100 17.287 2.887 47.008 1.00 63.83 H new ATOM 0 HD1 PHE A 100 16.334 1.640 48.918 1.00 64.60 H new ATOM 0 HD2 PHE A 100 17.019 5.584 49.185 1.00 64.41 H new ATOM 0 HE1 PHE A 100 15.023 1.727 50.823 1.00 64.91 H new ATOM 0 HE2 PHE A 100 15.721 5.686 51.095 1.00 64.66 H new ATOM 0 HZ PHE A 100 14.755 3.746 51.931 1.00 64.86 H new ATOM 822 N PRO A 101 20.898 1.879 47.005 1.00 60.93 N ATOM 823 CA PRO A 101 21.728 1.510 45.866 1.00 59.41 C ATOM 824 C PRO A 101 20.928 0.833 44.737 1.00 58.87 C ATOM 825 O PRO A 101 19.895 0.200 44.994 1.00 58.75 O ATOM 826 CB PRO A 101 22.765 0.550 46.474 1.00 59.91 C ATOM 827 CG PRO A 101 22.746 0.840 47.938 1.00 60.02 C ATOM 828 CD PRO A 101 21.311 1.138 48.214 1.00 60.95 C ATOM 0 HA PRO A 101 22.125 2.286 45.441 1.00 59.41 H new ATOM 0 HB2 PRO A 101 22.534 -0.375 46.296 1.00 59.91 H new ATOM 0 HB3 PRO A 101 23.646 0.700 46.097 1.00 59.91 H new ATOM 0 HG2 PRO A 101 23.060 0.083 48.456 1.00 60.02 H new ATOM 0 HG3 PRO A 101 23.316 1.592 48.161 1.00 60.02 H new ATOM 0 HD2 PRO A 101 20.791 0.328 48.336 1.00 60.95 H new ATOM 0 HD3 PRO A 101 21.201 1.669 49.018 1.00 60.95 H new ATOM 829 N SER A 102 21.423 1.022 43.513 1.00 57.75 N ATOM 830 CA SER A 102 20.899 0.459 42.255 1.00 56.30 C ATOM 831 C SER A 102 20.253 -0.931 42.340 1.00 54.64 C ATOM 832 O SER A 102 20.955 -1.921 42.551 1.00 54.70 O ATOM 833 CB SER A 102 22.065 0.364 41.257 1.00 56.78 C ATOM 834 OG SER A 102 23.114 -0.453 41.764 1.00 59.85 O ATOM 0 H SER A 102 22.117 1.512 43.382 1.00 57.75 H new ATOM 0 HA SER A 102 20.187 1.061 41.988 1.00 56.30 H new ATOM 0 HB2 SER A 102 21.746 -0.001 40.417 1.00 56.78 H new ATOM 0 HB3 SER A 102 22.406 1.252 41.069 1.00 56.78 H new ATOM 0 HG SER A 102 22.786 -1.125 42.146 1.00 59.85 H new ATOM 835 N THR A 103 18.930 -0.989 42.191 1.00 52.62 N ATOM 836 CA THR A 103 18.167 -2.247 42.189 1.00 51.80 C ATOM 837 C THR A 103 17.727 -2.707 40.790 1.00 50.69 C ATOM 838 O THR A 103 17.213 -3.819 40.644 1.00 51.20 O ATOM 839 CB THR A 103 16.896 -2.142 43.071 1.00 51.57 C ATOM 840 OG1 THR A 103 15.977 -1.194 42.507 1.00 53.14 O ATOM 841 CG2 THR A 103 17.262 -1.739 44.499 1.00 51.58 C ATOM 0 H THR A 103 18.440 -0.290 42.086 1.00 52.62 H new ATOM 0 HA THR A 103 18.785 -2.903 42.547 1.00 51.80 H new ATOM 0 HB THR A 103 16.470 -3.013 43.099 1.00 51.57 H new ATOM 0 HG1 THR A 103 16.091 -0.444 42.868 1.00 53.14 H new ATOM 0 HG21 THR A 103 16.456 -1.678 45.035 1.00 51.58 H new ATOM 0 HG22 THR A 103 17.855 -2.405 44.881 1.00 51.58 H new ATOM 0 HG23 THR A 103 17.708 -0.878 44.488 1.00 51.58 H new ATOM 842 N GLY A 104 17.889 -1.852 39.777 1.00 49.17 N ATOM 843 CA GLY A 104 17.458 -2.140 38.409 1.00 48.07 C ATOM 844 C GLY A 104 15.954 -2.149 38.152 1.00 45.34 C ATOM 845 O GLY A 104 15.542 -2.386 37.018 1.00 45.06 O ATOM 0 H GLY A 104 18.257 -1.080 39.868 1.00 49.17 H new ATOM 0 HA2 GLY A 104 17.862 -1.484 37.820 1.00 48.07 H new ATOM 0 HA3 GLY A 104 17.814 -3.006 38.155 1.00 48.07 H new ATOM 846 N LYS A 105 15.135 -1.871 39.169 1.00 42.86 N ATOM 847 CA LYS A 105 13.679 -1.899 39.040 1.00 40.59 C ATOM 848 C LYS A 105 13.177 -0.593 38.441 1.00 37.84 C ATOM 849 O LYS A 105 13.834 0.439 38.561 1.00 36.86 O ATOM 850 CB LYS A 105 13.020 -2.100 40.407 1.00 41.14 C ATOM 0 H LYS A 105 15.411 -1.660 39.956 1.00 42.86 H new ATOM 0 HA LYS A 105 13.445 -2.639 38.457 1.00 40.59 H new ATOM 851 N GLN A 106 12.006 -0.655 37.813 1.00 36.00 N ATOM 852 CA GLN A 106 11.353 0.532 37.249 1.00 35.26 C ATOM 853 C GLN A 106 10.755 1.386 38.364 1.00 32.41 C ATOM 854 O GLN A 106 10.044 0.875 39.230 1.00 32.44 O ATOM 855 CB GLN A 106 10.247 0.153 36.252 1.00 36.13 C ATOM 856 CG GLN A 106 10.728 0.010 34.811 1.00 40.50 C ATOM 857 CD GLN A 106 10.555 1.288 34.013 1.00 43.64 C ATOM 858 OE1 GLN A 106 9.424 1.739 33.807 1.00 50.57 O ATOM 859 NE2 GLN A 106 11.661 1.853 33.519 1.00 46.36 N ATOM 0 H GLN A 106 11.565 -1.385 37.700 1.00 36.00 H new ATOM 0 HA GLN A 106 12.032 1.037 36.775 1.00 35.26 H new ATOM 0 HB2 GLN A 106 9.845 -0.684 36.533 1.00 36.13 H new ATOM 0 HB3 GLN A 106 9.551 0.827 36.285 1.00 36.13 H new ATOM 0 HG2 GLN A 106 11.664 -0.245 34.809 1.00 40.50 H new ATOM 0 HG3 GLN A 106 10.238 -0.707 34.379 1.00 40.50 H new ATOM 0 HE21 GLN A 106 12.431 1.508 33.685 1.00 46.36 H new ATOM 0 HE22 GLN A 106 11.603 2.561 33.035 1.00 46.36 H new ATOM 860 N ILE A 107 11.078 2.675 38.343 1.00 29.55 N ATOM 861 CA ILE A 107 10.517 3.653 39.264 1.00 27.45 C ATOM 862 C ILE A 107 9.545 4.456 38.408 1.00 25.89 C ATOM 863 O ILE A 107 9.880 4.841 37.282 1.00 25.30 O ATOM 864 CB ILE A 107 11.596 4.583 39.866 1.00 26.49 C ATOM 865 CG1 ILE A 107 12.633 3.778 40.648 1.00 31.76 C ATOM 866 CG2 ILE A 107 10.966 5.631 40.789 1.00 30.32 C ATOM 867 CD1 ILE A 107 12.092 2.986 41.836 1.00 28.75 C ATOM 0 H ILE A 107 11.639 3.010 37.783 1.00 29.55 H new ATOM 0 HA ILE A 107 10.096 3.222 40.024 1.00 27.45 H new ATOM 0 HB ILE A 107 12.034 5.035 39.128 1.00 26.49 H new ATOM 0 HG12 ILE A 107 13.067 3.161 40.038 1.00 31.76 H new ATOM 0 HG13 ILE A 107 13.317 4.387 40.969 1.00 31.76 H new ATOM 0 HG21 ILE A 107 11.661 6.201 41.154 1.00 30.32 H new ATOM 0 HG22 ILE A 107 10.337 6.171 40.285 1.00 30.32 H new ATOM 0 HG23 ILE A 107 10.500 5.186 41.514 1.00 30.32 H new ATOM 0 HD11 ILE A 107 12.820 2.511 42.267 1.00 28.75 H new ATOM 0 HD12 ILE A 107 11.683 3.594 42.471 1.00 28.75 H new ATOM 0 HD13 ILE A 107 11.429 2.349 41.526 1.00 28.75 H new ATOM 868 N LYS A 108 8.353 4.698 38.947 1.00 25.04 N ATOM 869 CA LYS A 108 7.315 5.459 38.270 1.00 26.26 C ATOM 870 C LYS A 108 6.966 6.689 39.090 1.00 25.89 C ATOM 871 O LYS A 108 6.911 6.639 40.315 1.00 27.19 O ATOM 872 CB LYS A 108 6.069 4.621 38.054 1.00 27.68 C ATOM 873 CG LYS A 108 6.283 3.506 37.054 1.00 29.46 C ATOM 874 CD LYS A 108 4.950 3.030 36.470 1.00 37.28 C ATOM 875 CE LYS A 108 5.150 2.204 35.194 1.00 40.96 C ATOM 876 NZ LYS A 108 3.913 2.177 34.347 1.00 45.58 N ATOM 0 H LYS A 108 8.124 4.419 39.728 1.00 25.04 H new ATOM 0 HA LYS A 108 7.654 5.727 37.402 1.00 26.26 H new ATOM 0 HB2 LYS A 108 5.788 4.241 38.901 1.00 27.68 H new ATOM 0 HB3 LYS A 108 5.348 5.193 37.746 1.00 27.68 H new ATOM 0 HG2 LYS A 108 6.861 3.815 36.339 1.00 29.46 H new ATOM 0 HG3 LYS A 108 6.735 2.763 37.484 1.00 29.46 H new ATOM 0 HD2 LYS A 108 4.480 2.497 37.130 1.00 37.28 H new ATOM 0 HD3 LYS A 108 4.390 3.798 36.274 1.00 37.28 H new ATOM 0 HE2 LYS A 108 5.885 2.575 34.681 1.00 40.96 H new ATOM 0 HE3 LYS A 108 5.399 1.297 35.432 1.00 40.96 H new ATOM 0 HZ1 LYS A 108 3.982 1.529 33.741 1.00 45.58 H new ATOM 0 HZ2 LYS A 108 3.203 2.026 34.862 1.00 45.58 H new ATOM 0 HZ3 LYS A 108 3.818 2.960 33.934 1.00 45.58 H new HETATM 877 N MSE A 109 6.744 7.797 38.405 1.00 25.42 N HETATM 878 CA MSE A 109 6.396 9.037 39.084 1.00 26.48 C HETATM 879 C MSE A 109 5.466 9.785 38.160 1.00 25.44 C HETATM 880 O MSE A 109 5.359 9.456 36.984 1.00 26.78 O HETATM 881 CB MSE A 109 7.660 9.866 39.353 1.00 27.04 C HETATM 882 CG MSE A 109 7.398 11.140 40.108 1.00 28.18 C HETATM 883 SE MSE A 109 8.982 11.966 40.607 0.75 31.66 SE HETATM 884 CE MSE A 109 9.505 12.682 39.123 1.00 23.54 C HETATM 0 H MSE A 109 6.789 7.855 37.548 1.00 25.42 H new HETATM 0 HA MSE A 109 5.973 8.863 39.940 1.00 26.48 H new HETATM 0 HB2 MSE A 109 8.291 9.326 39.855 1.00 27.04 H new HETATM 0 HB3 MSE A 109 8.082 10.082 38.507 1.00 27.04 H new HETATM 0 HG2 MSE A 109 6.876 11.744 39.557 1.00 28.18 H new HETATM 0 HG3 MSE A 109 6.869 10.947 40.898 1.00 28.18 H new HETATM 0 HE1 MSE A 109 10.342 13.151 39.267 1.00 23.54 H new HETATM 0 HE2 MSE A 109 9.633 11.989 38.457 1.00 23.54 H new HETATM 0 HE3 MSE A 109 8.833 13.309 38.812 1.00 23.54 H new ATOM 885 N SER A 110 4.744 10.740 38.719 1.00 24.70 N ATOM 886 CA SER A 110 3.906 11.631 37.937 1.00 23.81 C ATOM 887 C SER A 110 4.141 13.006 38.448 1.00 23.33 C ATOM 888 O SER A 110 4.617 13.197 39.560 1.00 24.19 O ATOM 889 CB SER A 110 2.429 11.271 38.029 1.00 25.02 C ATOM 890 OG SER A 110 2.006 11.238 39.369 1.00 23.30 O ATOM 0 H SER A 110 4.725 10.891 39.565 1.00 24.70 H new ATOM 0 HA SER A 110 4.139 11.556 36.998 1.00 23.81 H new ATOM 0 HB2 SER A 110 1.902 11.919 37.535 1.00 25.02 H new ATOM 0 HB3 SER A 110 2.276 10.407 37.616 1.00 25.02 H new ATOM 0 HG SER A 110 1.167 11.214 39.398 1.00 23.30 H new ATOM 891 N GLY A 111 3.842 13.979 37.605 1.00 22.42 N ATOM 892 CA GLY A 111 4.041 15.328 38.006 1.00 23.15 C ATOM 893 C GLY A 111 3.283 16.291 37.141 1.00 23.16 C ATOM 894 O GLY A 111 2.677 15.925 36.147 1.00 25.18 O ATOM 0 H GLY A 111 3.529 13.869 36.812 1.00 22.42 H new ATOM 0 HA2 GLY A 111 3.761 15.435 38.929 1.00 23.15 H new ATOM 0 HA3 GLY A 111 4.987 15.539 37.970 1.00 23.15 H new ATOM 895 N ALA A 112 3.285 17.521 37.618 1.00 23.25 N ATOM 896 CA ALA A 112 2.669 18.624 36.920 1.00 24.19 C ATOM 897 C ALA A 112 3.651 19.772 36.969 1.00 25.11 C ATOM 898 O ALA A 112 4.212 20.065 38.022 1.00 25.54 O ATOM 899 CB ALA A 112 1.347 18.954 37.547 1.00 23.81 C ATOM 0 H ALA A 112 3.649 17.740 38.366 1.00 23.25 H new ATOM 0 HA ALA A 112 2.476 18.410 35.994 1.00 24.19 H new ATOM 0 HB1 ALA A 112 0.940 19.696 37.073 1.00 23.81 H new ATOM 0 HB2 ALA A 112 0.764 18.180 37.499 1.00 23.81 H new ATOM 0 HB3 ALA A 112 1.481 19.200 38.476 1.00 23.81 H new ATOM 900 N THR A 113 3.836 20.438 35.836 1.00 24.50 N ATOM 901 CA THR A 113 4.801 21.493 35.734 1.00 23.97 C ATOM 902 C THR A 113 4.213 22.603 34.928 1.00 23.76 C ATOM 903 O THR A 113 3.849 22.376 33.793 1.00 24.58 O ATOM 904 CB THR A 113 6.019 20.991 35.008 1.00 25.20 C ATOM 905 OG1 THR A 113 6.454 19.801 35.649 1.00 25.47 O ATOM 906 CG2 THR A 113 7.123 22.027 35.069 1.00 25.47 C ATOM 0 H THR A 113 3.400 20.283 35.111 1.00 24.50 H new ATOM 0 HA THR A 113 5.042 21.798 36.623 1.00 23.97 H new ATOM 0 HB THR A 113 5.804 20.820 34.078 1.00 25.20 H new ATOM 0 HG1 THR A 113 7.277 19.853 35.807 1.00 25.47 H new ATOM 0 HG21 THR A 113 7.904 21.696 34.599 1.00 25.47 H new ATOM 0 HG22 THR A 113 6.819 22.849 34.652 1.00 25.47 H new ATOM 0 HG23 THR A 113 7.353 22.201 35.995 1.00 25.47 H new ATOM 907 N VAL A 114 4.099 23.763 35.549 1.00 22.12 N ATOM 908 CA VAL A 114 3.692 24.977 34.855 1.00 22.84 C ATOM 909 C VAL A 114 4.984 25.501 34.265 1.00 23.85 C ATOM 910 O VAL A 114 5.957 25.724 34.993 1.00 24.09 O ATOM 911 CB VAL A 114 3.147 26.052 35.782 1.00 23.20 C ATOM 912 CG1 VAL A 114 2.677 27.239 34.935 1.00 22.95 C ATOM 913 CG2 VAL A 114 1.980 25.483 36.629 1.00 22.01 C ATOM 0 H VAL A 114 4.255 23.872 36.388 1.00 22.12 H new ATOM 0 HA VAL A 114 2.986 24.777 34.220 1.00 22.84 H new ATOM 0 HB VAL A 114 3.841 26.348 36.392 1.00 23.20 H new ATOM 0 HG11 VAL A 114 2.327 27.933 35.516 1.00 22.95 H new ATOM 0 HG12 VAL A 114 3.425 27.591 34.427 1.00 22.95 H new ATOM 0 HG13 VAL A 114 1.982 26.947 34.325 1.00 22.95 H new ATOM 0 HG21 VAL A 114 1.639 26.175 37.217 1.00 22.01 H new ATOM 0 HG22 VAL A 114 1.271 25.180 36.041 1.00 22.01 H new ATOM 0 HG23 VAL A 114 2.299 24.737 37.160 1.00 22.01 H new ATOM 914 N TYR A 115 4.987 25.714 32.962 1.00 25.05 N ATOM 915 CA TYR A 115 6.128 26.280 32.270 1.00 24.16 C ATOM 916 C TYR A 115 5.722 27.641 31.825 1.00 25.15 C ATOM 917 O TYR A 115 4.650 27.783 31.271 1.00 23.22 O ATOM 918 CB TYR A 115 6.512 25.458 31.049 1.00 25.91 C ATOM 919 CG TYR A 115 7.484 24.396 31.389 1.00 24.67 C ATOM 920 CD1 TYR A 115 8.806 24.752 31.681 1.00 24.77 C ATOM 921 CD2 TYR A 115 7.122 23.063 31.445 1.00 29.21 C ATOM 922 CE1 TYR A 115 9.735 23.817 32.009 1.00 27.99 C ATOM 923 CE2 TYR A 115 8.057 22.097 31.781 1.00 28.92 C ATOM 924 CZ TYR A 115 9.359 22.490 32.068 1.00 28.43 C ATOM 925 OH TYR A 115 10.328 21.582 32.383 1.00 30.94 O ATOM 0 H TYR A 115 4.321 25.533 32.449 1.00 25.05 H new ATOM 0 HA TYR A 115 6.895 26.296 32.863 1.00 24.16 H new ATOM 0 HB2 TYR A 115 5.716 25.058 30.664 1.00 25.91 H new ATOM 0 HB3 TYR A 115 6.892 26.040 30.373 1.00 25.91 H new ATOM 0 HD1 TYR A 115 9.053 25.648 31.650 1.00 24.77 H new ATOM 0 HD2 TYR A 115 6.246 22.813 31.256 1.00 29.21 H new ATOM 0 HE1 TYR A 115 10.612 24.067 32.191 1.00 27.99 H new ATOM 0 HE2 TYR A 115 7.817 21.199 31.814 1.00 28.92 H new ATOM 0 HH TYR A 115 10.886 21.539 31.757 1.00 30.94 H new ATOM 926 N TYR A 116 6.577 28.617 32.107 1.00 24.85 N ATOM 927 CA TYR A 116 6.353 29.984 31.716 1.00 26.47 C ATOM 928 C TYR A 116 7.215 30.253 30.515 1.00 26.21 C ATOM 929 O TYR A 116 8.378 29.833 30.474 1.00 26.32 O ATOM 930 CB TYR A 116 6.704 30.911 32.874 1.00 28.52 C ATOM 931 CG TYR A 116 5.680 30.782 33.950 1.00 28.01 C ATOM 932 CD1 TYR A 116 4.477 31.467 33.823 1.00 34.78 C ATOM 933 CD2 TYR A 116 5.863 29.939 35.060 1.00 31.05 C ATOM 934 CE1 TYR A 116 3.491 31.367 34.779 1.00 34.21 C ATOM 935 CE2 TYR A 116 4.856 29.835 36.038 1.00 28.16 C ATOM 936 CZ TYR A 116 3.686 30.549 35.874 1.00 27.77 C ATOM 937 OH TYR A 116 2.653 30.530 36.781 1.00 37.39 O ATOM 0 H TYR A 116 7.311 28.493 32.537 1.00 24.85 H new ATOM 0 HA TYR A 116 5.423 30.142 31.491 1.00 26.47 H new ATOM 0 HB2 TYR A 116 7.582 30.689 33.223 1.00 28.52 H new ATOM 0 HB3 TYR A 116 6.746 31.829 32.564 1.00 28.52 H new ATOM 0 HD1 TYR A 116 4.335 32.004 33.077 1.00 34.78 H new ATOM 0 HD2 TYR A 116 6.649 29.450 35.148 1.00 31.05 H new ATOM 0 HE1 TYR A 116 2.700 31.847 34.688 1.00 34.21 H new ATOM 0 HE2 TYR A 116 4.977 29.293 36.784 1.00 28.16 H new ATOM 0 HH TYR A 116 2.154 31.194 36.652 1.00 37.39 H new ATOM 938 N PHE A 117 6.653 31.038 29.597 1.00 26.84 N ATOM 939 CA PHE A 117 7.275 31.332 28.331 1.00 27.43 C ATOM 940 C PHE A 117 7.531 32.795 28.115 1.00 25.92 C ATOM 941 O PHE A 117 6.840 33.658 28.647 1.00 27.66 O ATOM 942 CB PHE A 117 6.370 30.904 27.189 1.00 28.41 C ATOM 943 CG PHE A 117 6.340 29.451 26.960 1.00 28.28 C ATOM 944 CD1 PHE A 117 5.578 28.624 27.787 1.00 27.86 C ATOM 945 CD2 PHE A 117 7.034 28.894 25.887 1.00 29.98 C ATOM 946 CE1 PHE A 117 5.530 27.264 27.550 1.00 27.28 C ATOM 947 CE2 PHE A 117 6.987 27.544 25.650 1.00 30.51 C ATOM 948 CZ PHE A 117 6.229 26.728 26.483 1.00 28.64 C ATOM 0 H PHE A 117 5.888 31.416 29.704 1.00 26.84 H new ATOM 0 HA PHE A 117 8.117 30.851 28.348 1.00 27.43 H new ATOM 0 HB2 PHE A 117 5.468 31.212 27.371 1.00 28.41 H new ATOM 0 HB3 PHE A 117 6.662 31.344 26.375 1.00 28.41 H new ATOM 0 HD1 PHE A 117 5.102 28.989 28.498 1.00 27.86 H new ATOM 0 HD2 PHE A 117 7.534 29.443 25.327 1.00 29.98 H new ATOM 0 HE1 PHE A 117 5.030 26.711 28.105 1.00 27.28 H new ATOM 0 HE2 PHE A 117 7.459 27.177 24.937 1.00 30.51 H new ATOM 0 HZ PHE A 117 6.192 25.813 26.321 1.00 28.64 H new ATOM 949 N ASP A 118 8.567 33.040 27.336 1.00 25.45 N ATOM 950 CA ASP A 118 8.850 34.366 26.801 1.00 26.37 C ATOM 951 C ASP A 118 9.094 33.993 25.346 1.00 26.13 C ATOM 952 O ASP A 118 10.188 33.546 25.010 1.00 24.80 O ATOM 953 CB ASP A 118 10.055 34.982 27.494 1.00 26.38 C ATOM 954 CG ASP A 118 10.404 36.363 26.984 1.00 32.31 C ATOM 955 OD1 ASP A 118 9.854 36.811 25.970 1.00 25.80 O ATOM 956 OD2 ASP A 118 11.276 37.003 27.602 1.00 31.11 O ATOM 0 H ASP A 118 9.134 32.439 27.098 1.00 25.45 H new ATOM 0 HA ASP A 118 8.165 35.043 26.921 1.00 26.37 H new ATOM 0 HB2 ASP A 118 9.881 35.031 28.447 1.00 26.38 H new ATOM 0 HB3 ASP A 118 10.821 34.398 27.376 1.00 26.38 H new ATOM 957 N GLY A 119 8.062 34.136 24.506 1.00 25.80 N ATOM 958 CA GLY A 119 8.140 33.679 23.126 1.00 26.41 C ATOM 959 C GLY A 119 8.242 32.163 23.137 1.00 25.82 C ATOM 960 O GLY A 119 7.459 31.494 23.798 1.00 26.69 O ATOM 0 H GLY A 119 7.311 34.496 24.721 1.00 25.80 H new ATOM 0 HA2 GLY A 119 7.356 33.962 22.630 1.00 26.41 H new ATOM 0 HA3 GLY A 119 8.911 34.067 22.683 1.00 26.41 H new ATOM 961 N ASN A 120 9.241 31.628 22.443 1.00 25.16 N ATOM 962 CA ASN A 120 9.491 30.193 22.394 1.00 25.14 C ATOM 963 C ASN A 120 10.391 29.684 23.503 1.00 25.18 C ATOM 964 O ASN A 120 10.700 28.506 23.498 1.00 25.91 O ATOM 965 CB ASN A 120 10.119 29.797 21.054 1.00 24.94 C ATOM 966 CG ASN A 120 9.146 29.837 19.920 1.00 25.37 C ATOM 967 OD1 ASN A 120 7.975 30.164 20.106 1.00 29.61 O ATOM 968 ND2 ASN A 120 9.601 29.452 18.753 1.00 24.36 N ATOM 0 H ASN A 120 9.799 32.094 21.982 1.00 25.16 H new ATOM 0 HA ASN A 120 8.619 29.784 22.509 1.00 25.14 H new ATOM 0 HB2 ASN A 120 10.859 30.394 20.860 1.00 24.94 H new ATOM 0 HB3 ASN A 120 10.487 28.903 21.127 1.00 24.94 H new ATOM 0 HD21 ASN A 120 9.073 29.420 18.075 1.00 24.36 H new ATOM 0 HD22 ASN A 120 10.428 29.231 18.665 1.00 24.36 H new ATOM 969 N ARG A 121 10.766 30.542 24.444 1.00 24.09 N ATOM 970 CA ARG A 121 11.729 30.175 25.454 1.00 25.40 C ATOM 971 C ARG A 121 11.122 30.107 26.818 1.00 25.51 C ATOM 972 O ARG A 121 10.175 30.823 27.123 1.00 26.40 O ATOM 973 CB ARG A 121 12.920 31.103 25.378 1.00 26.71 C ATOM 974 CG ARG A 121 13.737 30.756 24.159 1.00 29.97 C ATOM 975 CD ARG A 121 14.790 31.731 23.900 1.00 32.63 C ATOM 976 NE ARG A 121 15.522 31.346 22.695 1.00 32.14 N ATOM 977 CZ ARG A 121 16.476 30.426 22.624 1.00 26.85 C ATOM 978 NH1 ARG A 121 16.902 29.772 23.696 1.00 28.34 N ATOM 979 NH2 ARG A 121 17.036 30.176 21.459 1.00 26.00 N ATOM 0 H ARG A 121 10.468 31.346 24.510 1.00 24.09 H new ATOM 0 HA ARG A 121 12.042 29.274 25.276 1.00 25.40 H new ATOM 0 HB2 ARG A 121 12.623 32.025 25.331 1.00 26.71 H new ATOM 0 HB3 ARG A 121 13.461 31.020 26.179 1.00 26.71 H new ATOM 0 HG2 ARG A 121 14.134 29.879 24.278 1.00 29.97 H new ATOM 0 HG3 ARG A 121 13.153 30.701 23.386 1.00 29.97 H new ATOM 0 HD2 ARG A 121 14.406 32.615 23.789 1.00 32.63 H new ATOM 0 HD3 ARG A 121 15.395 31.778 24.657 1.00 32.63 H new ATOM 0 HE ARG A 121 15.316 31.753 21.966 1.00 32.14 H new ATOM 0 HH11 ARG A 121 16.558 29.939 24.466 1.00 28.34 H new ATOM 0 HH12 ARG A 121 17.522 29.181 23.621 1.00 28.34 H new ATOM 0 HH21 ARG A 121 16.782 30.606 20.759 1.00 26.00 H new ATOM 0 HH22 ARG A 121 17.655 29.583 21.398 1.00 26.00 H new ATOM 980 N LEU A 122 11.641 29.182 27.617 1.00 23.84 N ATOM 981 CA LEU A 122 11.102 28.933 28.926 1.00 25.20 C ATOM 982 C LEU A 122 11.822 29.818 29.913 1.00 22.77 C ATOM 983 O LEU A 122 13.044 29.930 29.871 1.00 22.99 O ATOM 984 CB LEU A 122 11.298 27.480 29.314 1.00 25.19 C ATOM 985 CG LEU A 122 10.694 26.479 28.323 1.00 26.27 C ATOM 986 CD1 LEU A 122 11.007 25.063 28.758 1.00 29.04 C ATOM 987 CD2 LEU A 122 9.180 26.663 28.135 1.00 27.25 C ATOM 0 H LEU A 122 12.313 28.688 27.408 1.00 23.84 H new ATOM 0 HA LEU A 122 10.151 29.125 28.927 1.00 25.20 H new ATOM 0 HB2 LEU A 122 12.248 27.303 29.398 1.00 25.19 H new ATOM 0 HB3 LEU A 122 10.904 27.333 30.188 1.00 25.19 H new ATOM 0 HG LEU A 122 11.103 26.652 27.460 1.00 26.27 H new ATOM 0 HD11 LEU A 122 10.621 24.437 28.125 1.00 29.04 H new ATOM 0 HD12 LEU A 122 11.969 24.939 28.789 1.00 29.04 H new ATOM 0 HD13 LEU A 122 10.632 24.904 29.639 1.00 29.04 H new ATOM 0 HD21 LEU A 122 8.850 26.007 27.501 1.00 27.25 H new ATOM 0 HD22 LEU A 122 8.731 26.543 28.986 1.00 27.25 H new ATOM 0 HD23 LEU A 122 9.002 27.555 27.799 1.00 27.25 H new ATOM 988 N THR A 123 11.042 30.476 30.747 1.00 23.84 N ATOM 989 CA THR A 123 11.559 31.399 31.753 1.00 24.31 C ATOM 990 C THR A 123 11.517 30.853 33.162 1.00 24.67 C ATOM 991 O THR A 123 12.040 31.477 34.086 1.00 25.02 O ATOM 992 CB THR A 123 10.801 32.712 31.733 1.00 24.31 C ATOM 993 OG1 THR A 123 9.443 32.466 32.106 1.00 23.87 O ATOM 994 CG2 THR A 123 10.904 33.349 30.352 1.00 27.90 C ATOM 0 H THR A 123 10.185 30.403 30.750 1.00 23.84 H new ATOM 0 HA THR A 123 12.489 31.533 31.511 1.00 24.31 H new ATOM 0 HB THR A 123 11.186 33.336 32.369 1.00 24.31 H new ATOM 0 HG1 THR A 123 8.982 33.152 31.955 1.00 23.87 H new ATOM 0 HG21 THR A 123 10.417 34.188 30.345 1.00 27.90 H new ATOM 0 HG22 THR A 123 11.836 33.514 30.140 1.00 27.90 H new ATOM 0 HG23 THR A 123 10.524 32.750 29.690 1.00 27.90 H new ATOM 995 N GLY A 124 10.838 29.734 33.360 1.00 24.73 N ATOM 996 CA GLY A 124 10.804 29.136 34.671 1.00 23.97 C ATOM 997 C GLY A 124 9.775 28.065 34.749 1.00 23.11 C ATOM 998 O GLY A 124 9.063 27.832 33.781 1.00 22.79 O ATOM 0 H GLY A 124 10.397 29.313 32.753 1.00 24.73 H new ATOM 0 HA2 GLY A 124 11.675 28.766 34.883 1.00 23.97 H new ATOM 0 HA3 GLY A 124 10.616 29.818 35.335 1.00 23.97 H new ATOM 999 N HIS A 125 9.718 27.414 35.903 1.00 23.71 N ATOM 1000 CA HIS A 125 8.680 26.421 36.139 1.00 25.61 C ATOM 1001 C HIS A 125 8.176 26.412 37.577 1.00 24.27 C ATOM 1002 O HIS A 125 8.859 26.851 38.484 1.00 25.03 O ATOM 1003 CB HIS A 125 9.095 25.022 35.700 1.00 24.97 C ATOM 1004 CG HIS A 125 10.112 24.380 36.589 1.00 23.57 C ATOM 1005 ND1 HIS A 125 11.453 24.349 36.285 1.00 25.22 N ATOM 1006 CD2 HIS A 125 9.977 23.715 37.763 1.00 25.55 C ATOM 1007 CE1 HIS A 125 12.099 23.697 37.235 1.00 27.71 C ATOM 1008 NE2 HIS A 125 11.229 23.320 38.151 1.00 24.74 N ATOM 0 H HIS A 125 10.265 27.530 36.557 1.00 23.71 H new ATOM 0 HA HIS A 125 7.937 26.695 35.579 1.00 25.61 H new ATOM 0 HB2 HIS A 125 8.307 24.457 35.665 1.00 24.97 H new ATOM 0 HB3 HIS A 125 9.451 25.068 34.799 1.00 24.97 H new ATOM 0 HD1 HIS A 125 11.814 24.699 35.587 1.00 25.22 H new ATOM 0 HD2 HIS A 125 9.182 23.557 38.219 1.00 25.55 H new ATOM 0 HE1 HIS A 125 13.014 23.532 37.254 1.00 27.71 H new ATOM 0 HE2 HIS A 125 11.417 22.895 38.875 1.00 24.74 H new ATOM 1009 N TRP A 126 6.945 25.943 37.731 1.00 25.25 N ATOM 1010 CA TRP A 126 6.293 25.753 39.008 1.00 25.77 C ATOM 1011 C TRP A 126 5.880 24.297 38.915 1.00 25.13 C ATOM 1012 O TRP A 126 5.044 23.936 38.092 1.00 26.56 O ATOM 1013 CB TRP A 126 5.102 26.675 39.099 1.00 25.80 C ATOM 1014 CG TRP A 126 4.601 26.856 40.447 1.00 25.75 C ATOM 1015 CD1 TRP A 126 4.785 27.945 41.234 1.00 25.40 C ATOM 1016 CD2 TRP A 126 3.778 25.958 41.176 1.00 24.18 C ATOM 1017 NE1 TRP A 126 4.135 27.770 42.424 1.00 26.00 N ATOM 1018 CE2 TRP A 126 3.506 26.559 42.417 1.00 24.13 C ATOM 1019 CE3 TRP A 126 3.220 24.703 40.902 1.00 24.70 C ATOM 1020 CZ2 TRP A 126 2.714 25.947 43.389 1.00 24.52 C ATOM 1021 CZ3 TRP A 126 2.444 24.093 41.880 1.00 22.33 C ATOM 1022 CH2 TRP A 126 2.208 24.713 43.109 1.00 23.64 C ATOM 0 H TRP A 126 6.450 25.719 37.064 1.00 25.25 H new ATOM 0 HA TRP A 126 6.833 25.946 39.790 1.00 25.77 H new ATOM 0 HB2 TRP A 126 5.346 27.540 38.735 1.00 25.80 H new ATOM 0 HB3 TRP A 126 4.389 26.324 38.543 1.00 25.80 H new ATOM 0 HD1 TRP A 126 5.279 28.697 41.000 1.00 25.40 H new ATOM 0 HE1 TRP A 126 4.124 28.333 43.074 1.00 26.00 H new ATOM 0 HE3 TRP A 126 3.366 24.287 40.083 1.00 24.70 H new ATOM 0 HZ2 TRP A 126 2.537 26.367 44.200 1.00 24.52 H new ATOM 0 HZ3 TRP A 126 2.075 23.256 41.713 1.00 22.33 H new ATOM 0 HH2 TRP A 126 1.695 24.275 43.749 1.00 23.64 H new ATOM 1023 N GLN A 127 6.472 23.452 39.746 1.00 25.54 N ATOM 1024 CA GLN A 127 6.297 22.029 39.607 1.00 25.57 C ATOM 1025 C GLN A 127 5.969 21.309 40.893 1.00 23.88 C ATOM 1026 O GLN A 127 6.377 21.721 41.964 1.00 24.08 O ATOM 1027 CB GLN A 127 7.600 21.469 39.060 1.00 27.27 C ATOM 1028 CG GLN A 127 7.713 19.979 38.968 1.00 30.13 C ATOM 1029 CD GLN A 127 8.843 19.629 38.071 1.00 30.61 C ATOM 1030 OE1 GLN A 127 8.660 19.638 36.871 1.00 28.87 O ATOM 1031 NE2 GLN A 127 10.028 19.405 38.627 1.00 28.57 N ATOM 0 H GLN A 127 6.980 23.690 40.398 1.00 25.54 H new ATOM 0 HA GLN A 127 5.538 21.887 39.020 1.00 25.57 H new ATOM 0 HB2 GLN A 127 7.738 21.837 38.173 1.00 27.27 H new ATOM 0 HB3 GLN A 127 8.325 21.793 39.617 1.00 27.27 H new ATOM 0 HG2 GLN A 127 7.856 19.600 39.849 1.00 30.13 H new ATOM 0 HG3 GLN A 127 6.887 19.602 38.627 1.00 30.13 H new ATOM 0 HE21 GLN A 127 10.109 19.409 39.483 1.00 28.57 H new ATOM 0 HE22 GLN A 127 10.715 19.256 38.131 1.00 28.57 H new ATOM 1032 N ILE A 128 5.178 20.258 40.758 1.00 22.72 N ATOM 1033 CA ILE A 128 4.946 19.344 41.878 1.00 22.48 C ATOM 1034 C ILE A 128 5.105 17.973 41.248 1.00 24.26 C ATOM 1035 O ILE A 128 4.608 17.737 40.160 1.00 24.64 O ATOM 1036 CB ILE A 128 3.533 19.471 42.482 1.00 23.28 C ATOM 1037 CG1 ILE A 128 3.199 20.912 42.817 1.00 32.73 C ATOM 1038 CG2 ILE A 128 3.405 18.544 43.719 1.00 24.05 C ATOM 1039 CD1 ILE A 128 3.941 21.487 43.966 1.00 33.08 C ATOM 0 H ILE A 128 4.765 20.051 40.033 1.00 22.72 H new ATOM 0 HA ILE A 128 5.554 19.527 42.612 1.00 22.48 H new ATOM 0 HB ILE A 128 2.884 19.186 41.820 1.00 23.28 H new ATOM 0 HG12 ILE A 128 3.371 21.458 42.034 1.00 32.73 H new ATOM 0 HG13 ILE A 128 2.249 20.973 43.002 1.00 32.73 H new ATOM 0 HG21 ILE A 128 2.515 18.627 44.095 1.00 24.05 H new ATOM 0 HG22 ILE A 128 3.558 17.624 43.452 1.00 24.05 H new ATOM 0 HG23 ILE A 128 4.062 18.800 44.385 1.00 24.05 H new ATOM 0 HD11 ILE A 128 3.663 22.406 44.104 1.00 33.08 H new ATOM 0 HD12 ILE A 128 3.753 20.969 44.765 1.00 33.08 H new ATOM 0 HD13 ILE A 128 4.893 21.462 43.782 1.00 33.08 H new ATOM 1040 N THR A 129 5.781 17.074 41.946 1.00 25.25 N ATOM 1041 CA THR A 129 5.969 15.722 41.478 1.00 24.61 C ATOM 1042 C THR A 129 5.640 14.786 42.628 1.00 22.19 C ATOM 1043 O THR A 129 5.713 15.169 43.797 1.00 21.60 O ATOM 1044 CB THR A 129 7.424 15.476 41.065 1.00 23.66 C ATOM 1045 OG1 THR A 129 8.235 15.458 42.227 1.00 25.31 O ATOM 1046 CG2 THR A 129 7.961 16.573 40.141 1.00 25.69 C ATOM 0 H THR A 129 6.144 17.236 42.709 1.00 25.25 H new ATOM 0 HA THR A 129 5.398 15.570 40.709 1.00 24.61 H new ATOM 0 HB THR A 129 7.450 14.631 40.590 1.00 23.66 H new ATOM 0 HG1 THR A 129 8.946 15.881 42.080 1.00 25.31 H new ATOM 0 HG21 THR A 129 8.881 16.377 39.906 1.00 25.69 H new ATOM 0 HG22 THR A 129 7.423 16.609 39.335 1.00 25.69 H new ATOM 0 HG23 THR A 129 7.919 17.429 40.596 1.00 25.69 H new ATOM 1047 N ASP A 130 5.333 13.545 42.286 1.00 20.58 N ATOM 1048 CA ASP A 130 5.005 12.523 43.273 1.00 22.84 C ATOM 1049 C ASP A 130 6.281 11.910 43.867 1.00 23.32 C ATOM 1050 O ASP A 130 6.610 10.738 43.650 1.00 23.86 O ATOM 1051 CB ASP A 130 4.116 11.454 42.654 1.00 23.44 C ATOM 1052 CG ASP A 130 3.657 10.427 43.656 1.00 24.39 C ATOM 1053 OD1 ASP A 130 3.668 10.722 44.878 1.00 21.61 O ATOM 1054 OD2 ASP A 130 3.276 9.336 43.195 1.00 22.74 O ATOM 0 H ASP A 130 5.308 13.268 41.472 1.00 20.58 H new ATOM 0 HA ASP A 130 4.514 12.940 43.998 1.00 22.84 H new ATOM 0 HB2 ASP A 130 3.341 11.876 42.252 1.00 23.44 H new ATOM 0 HB3 ASP A 130 4.600 11.010 41.940 1.00 23.44 H new ATOM 1055 N ARG A 131 6.993 12.719 44.643 1.00 23.40 N ATOM 1056 CA ARG A 131 8.213 12.260 45.274 1.00 21.66 C ATOM 1057 C ARG A 131 7.948 11.196 46.328 1.00 21.46 C ATOM 1058 O ARG A 131 8.776 10.297 46.511 1.00 21.51 O ATOM 1059 CB ARG A 131 8.959 13.393 45.926 1.00 22.57 C ATOM 1060 CG ARG A 131 9.419 14.445 44.960 1.00 20.71 C ATOM 1061 CD ARG A 131 10.297 15.381 45.671 1.00 22.87 C ATOM 1062 NE ARG A 131 9.519 16.087 46.685 1.00 22.47 N ATOM 1063 CZ ARG A 131 10.033 16.681 47.756 1.00 25.44 C ATOM 1064 NH1 ARG A 131 11.335 16.682 48.012 1.00 22.32 N ATOM 1065 NH2 ARG A 131 9.212 17.296 48.582 1.00 22.41 N ATOM 0 H ARG A 131 6.784 13.535 44.814 1.00 23.40 H new ATOM 0 HA ARG A 131 8.750 11.878 44.562 1.00 21.66 H new ATOM 0 HB2 ARG A 131 8.388 13.805 46.593 1.00 22.57 H new ATOM 0 HB3 ARG A 131 9.730 13.036 46.394 1.00 22.57 H new ATOM 0 HG2 ARG A 131 9.892 14.037 44.218 1.00 20.71 H new ATOM 0 HG3 ARG A 131 8.657 14.915 44.586 1.00 20.71 H new ATOM 0 HD2 ARG A 131 11.031 14.902 46.086 1.00 22.87 H new ATOM 0 HD3 ARG A 131 10.687 16.014 45.048 1.00 22.87 H new ATOM 0 HE ARG A 131 8.666 16.121 46.581 1.00 22.47 H new ATOM 0 HH11 ARG A 131 11.879 16.288 47.475 1.00 22.32 H new ATOM 0 HH12 ARG A 131 11.635 17.076 48.715 1.00 22.32 H new ATOM 0 HH21 ARG A 131 8.367 17.306 48.421 1.00 22.41 H new ATOM 0 HH22 ARG A 131 9.521 17.688 49.282 1.00 22.41 H new ATOM 1066 N LEU A 132 6.801 11.271 47.012 1.00 20.25 N ATOM 1067 CA LEU A 132 6.490 10.290 48.040 1.00 19.85 C ATOM 1068 C LEU A 132 6.333 8.895 47.410 1.00 21.06 C ATOM 1069 O LEU A 132 6.824 7.913 47.974 1.00 21.15 O ATOM 1070 CB LEU A 132 5.248 10.661 48.852 1.00 19.33 C ATOM 1071 CG LEU A 132 4.932 9.696 49.996 1.00 21.18 C ATOM 1072 CD1 LEU A 132 6.131 9.587 50.978 1.00 22.15 C ATOM 1073 CD2 LEU A 132 3.679 10.118 50.711 1.00 22.84 C ATOM 0 H LEU A 132 6.201 11.876 46.894 1.00 20.25 H new ATOM 0 HA LEU A 132 7.234 10.279 48.662 1.00 19.85 H new ATOM 0 HB2 LEU A 132 5.368 11.551 49.218 1.00 19.33 H new ATOM 0 HB3 LEU A 132 4.484 10.700 48.255 1.00 19.33 H new ATOM 0 HG LEU A 132 4.781 8.815 49.619 1.00 21.18 H new ATOM 0 HD11 LEU A 132 5.908 8.971 51.694 1.00 22.15 H new ATOM 0 HD12 LEU A 132 6.911 9.261 50.502 1.00 22.15 H new ATOM 0 HD13 LEU A 132 6.323 10.461 51.352 1.00 22.15 H new ATOM 0 HD21 LEU A 132 3.493 9.497 51.432 1.00 22.84 H new ATOM 0 HD22 LEU A 132 3.798 11.009 51.075 1.00 22.84 H new ATOM 0 HD23 LEU A 132 2.936 10.121 50.088 1.00 22.84 H new ATOM 1074 N GLY A 133 5.670 8.838 46.259 1.00 22.86 N ATOM 1075 CA GLY A 133 5.515 7.620 45.468 1.00 23.60 C ATOM 1076 C GLY A 133 6.860 6.997 45.161 1.00 23.29 C ATOM 1077 O GLY A 133 7.070 5.825 45.435 1.00 23.81 O ATOM 0 H GLY A 133 5.288 9.524 45.907 1.00 22.86 H new ATOM 0 HA2 GLY A 133 4.963 6.985 45.951 1.00 23.60 H new ATOM 0 HA3 GLY A 133 5.053 7.825 44.640 1.00 23.60 H new ATOM 1078 N VAL A 134 7.796 7.793 44.653 1.00 25.01 N ATOM 1079 CA VAL A 134 9.158 7.293 44.380 1.00 25.50 C ATOM 1080 C VAL A 134 9.818 6.784 45.668 1.00 26.91 C ATOM 1081 O VAL A 134 10.343 5.673 45.696 1.00 26.19 O ATOM 1082 CB VAL A 134 10.042 8.378 43.696 1.00 24.93 C ATOM 1083 CG1 VAL A 134 11.473 7.892 43.465 1.00 24.81 C ATOM 1084 CG2 VAL A 134 9.442 8.761 42.385 1.00 26.73 C ATOM 0 H VAL A 134 7.672 8.621 44.458 1.00 25.01 H new ATOM 0 HA VAL A 134 9.079 6.550 43.762 1.00 25.50 H new ATOM 0 HB VAL A 134 10.076 9.142 44.292 1.00 24.93 H new ATOM 0 HG11 VAL A 134 11.989 8.594 43.039 1.00 24.81 H new ATOM 0 HG12 VAL A 134 11.879 7.664 44.316 1.00 24.81 H new ATOM 0 HG13 VAL A 134 11.461 7.108 42.893 1.00 24.81 H new ATOM 0 HG21 VAL A 134 9.994 9.437 41.961 1.00 26.73 H new ATOM 0 HG22 VAL A 134 9.390 7.980 41.812 1.00 26.73 H new ATOM 0 HG23 VAL A 134 8.551 9.116 42.528 1.00 26.73 H new ATOM 1085 N TYR A 135 9.764 7.602 46.718 1.00 27.56 N ATOM 1086 CA TYR A 135 10.307 7.295 48.054 1.00 27.51 C ATOM 1087 C TYR A 135 9.780 5.941 48.527 1.00 27.60 C ATOM 1088 O TYR A 135 10.564 5.074 48.916 1.00 28.51 O ATOM 1089 CB TYR A 135 9.929 8.455 48.996 1.00 28.47 C ATOM 1090 CG TYR A 135 10.324 8.354 50.447 1.00 30.93 C ATOM 1091 CD1 TYR A 135 9.556 7.610 51.347 1.00 30.69 C ATOM 1092 CD2 TYR A 135 11.402 9.093 50.947 1.00 35.69 C ATOM 1093 CE1 TYR A 135 9.892 7.545 52.697 1.00 33.90 C ATOM 1094 CE2 TYR A 135 11.740 9.040 52.297 1.00 35.41 C ATOM 1095 CZ TYR A 135 10.973 8.272 53.165 1.00 32.83 C ATOM 1096 OH TYR A 135 11.337 8.205 54.490 1.00 34.72 O ATOM 0 H TYR A 135 9.399 8.379 46.676 1.00 27.56 H new ATOM 0 HA TYR A 135 11.274 7.220 48.039 1.00 27.51 H new ATOM 0 HB2 TYR A 135 10.321 9.267 48.638 1.00 28.47 H new ATOM 0 HB3 TYR A 135 8.966 8.565 48.958 1.00 28.47 H new ATOM 0 HD1 TYR A 135 8.808 7.151 51.039 1.00 30.69 H new ATOM 0 HD2 TYR A 135 11.899 9.627 50.370 1.00 35.69 H new ATOM 0 HE1 TYR A 135 9.394 7.018 53.279 1.00 33.90 H new ATOM 0 HE2 TYR A 135 12.473 9.515 52.615 1.00 35.41 H new ATOM 0 HH TYR A 135 12.006 8.696 54.622 1.00 34.72 H new ATOM 1097 N GLN A 136 8.466 5.750 48.427 1.00 26.82 N ATOM 1098 CA GLN A 136 7.800 4.487 48.771 1.00 27.63 C ATOM 1099 C GLN A 136 8.252 3.293 47.922 1.00 27.92 C ATOM 1100 O GLN A 136 8.481 2.199 48.453 1.00 28.96 O ATOM 1101 CB GLN A 136 6.282 4.631 48.632 1.00 26.85 C ATOM 1102 CG GLN A 136 5.646 5.482 49.721 1.00 27.45 C ATOM 1103 CD GLN A 136 4.180 5.768 49.453 1.00 29.10 C ATOM 1104 OE1 GLN A 136 3.686 5.563 48.348 1.00 28.36 O ATOM 1105 NE2 GLN A 136 3.479 6.257 50.468 1.00 36.09 N ATOM 0 H GLN A 136 7.924 6.359 48.153 1.00 26.82 H new ATOM 0 HA GLN A 136 8.054 4.304 49.689 1.00 27.63 H new ATOM 0 HB2 GLN A 136 6.080 5.022 47.768 1.00 26.85 H new ATOM 0 HB3 GLN A 136 5.879 3.749 48.645 1.00 26.85 H new ATOM 0 HG2 GLN A 136 5.733 5.029 50.574 1.00 27.45 H new ATOM 0 HG3 GLN A 136 6.128 6.321 49.795 1.00 27.45 H new ATOM 0 HE21 GLN A 136 3.858 6.388 51.229 1.00 36.09 H new ATOM 0 HE22 GLN A 136 2.646 6.443 50.365 1.00 36.09 H new ATOM 1106 N GLN A 137 8.344 3.504 46.611 1.00 28.24 N ATOM 1107 CA GLN A 137 8.802 2.468 45.675 1.00 28.34 C ATOM 1108 C GLN A 137 10.245 2.040 45.941 1.00 29.94 C ATOM 1109 O GLN A 137 10.561 0.850 45.836 1.00 30.28 O ATOM 1110 CB GLN A 137 8.691 2.937 44.231 1.00 27.26 C ATOM 1111 CG GLN A 137 7.276 3.111 43.722 1.00 28.08 C ATOM 1112 CD GLN A 137 7.293 3.881 42.424 1.00 27.74 C ATOM 1113 OE1 GLN A 137 7.968 3.481 41.476 1.00 27.29 O ATOM 1114 NE2 GLN A 137 6.574 4.991 42.371 1.00 25.51 N ATOM 0 H GLN A 137 8.143 4.251 46.235 1.00 28.24 H new ATOM 0 HA GLN A 137 8.220 1.705 45.818 1.00 28.34 H new ATOM 0 HB2 GLN A 137 9.158 3.782 44.143 1.00 27.26 H new ATOM 0 HB3 GLN A 137 9.149 2.299 43.662 1.00 27.26 H new ATOM 0 HG2 GLN A 137 6.862 2.244 43.588 1.00 28.08 H new ATOM 0 HG3 GLN A 137 6.742 3.582 44.381 1.00 28.08 H new ATOM 0 HE21 GLN A 137 6.115 5.239 43.054 1.00 25.51 H new ATOM 0 HE22 GLN A 137 6.566 5.464 41.653 1.00 25.51 H new ATOM 1115 N LEU A 138 11.105 3.003 46.264 1.00 30.82 N ATOM 1116 CA LEU A 138 12.494 2.715 46.646 1.00 33.55 C ATOM 1117 C LEU A 138 12.549 1.902 47.938 1.00 34.60 C ATOM 1118 O LEU A 138 13.441 1.061 48.075 1.00 34.60 O ATOM 1119 CB LEU A 138 13.312 4.001 46.800 1.00 33.02 C ATOM 1120 CG LEU A 138 13.589 4.801 45.529 1.00 33.96 C ATOM 1121 CD1 LEU A 138 14.134 6.165 45.895 1.00 31.25 C ATOM 1122 CD2 LEU A 138 14.537 4.066 44.588 1.00 34.77 C ATOM 0 H LEU A 138 10.905 3.839 46.269 1.00 30.82 H new ATOM 0 HA LEU A 138 12.886 2.190 45.930 1.00 33.55 H new ATOM 0 HB2 LEU A 138 12.849 4.580 47.426 1.00 33.02 H new ATOM 0 HB3 LEU A 138 14.164 3.770 47.203 1.00 33.02 H new ATOM 0 HG LEU A 138 12.752 4.911 45.051 1.00 33.96 H new ATOM 0 HD11 LEU A 138 14.309 6.671 45.086 1.00 31.25 H new ATOM 0 HD12 LEU A 138 13.484 6.638 46.438 1.00 31.25 H new ATOM 0 HD13 LEU A 138 14.958 6.061 46.396 1.00 31.25 H new ATOM 0 HD21 LEU A 138 14.688 4.604 43.795 1.00 34.77 H new ATOM 0 HD22 LEU A 138 15.382 3.909 45.037 1.00 34.77 H new ATOM 0 HD23 LEU A 138 14.145 3.217 44.332 1.00 34.77 H new ATOM 1123 N ARG A 139 11.608 2.148 48.860 1.00 36.59 N ATOM 1124 CA ARG A 139 11.484 1.365 50.098 1.00 37.48 C ATOM 1125 C ARG A 139 11.147 -0.081 49.775 1.00 40.65 C ATOM 1126 O ARG A 139 11.784 -0.981 50.332 1.00 41.35 O ATOM 1127 CB ARG A 139 10.441 1.915 51.106 1.00 38.69 C ATOM 1128 CG ARG A 139 10.648 3.337 51.707 1.00 39.39 C ATOM 1129 CD ARG A 139 12.096 3.542 52.014 1.00 41.78 C ATOM 1130 NE ARG A 139 12.520 4.620 52.913 1.00 44.27 N ATOM 1131 CZ ARG A 139 13.022 5.815 52.574 1.00 47.67 C ATOM 1132 NH1 ARG A 139 13.097 6.240 51.306 1.00 49.43 N ATOM 1133 NH2 ARG A 139 13.432 6.630 53.551 1.00 48.50 N ATOM 0 H ARG A 139 11.024 2.774 48.784 1.00 36.59 H new ATOM 0 HA ARG A 139 12.349 1.434 50.531 1.00 37.48 H new ATOM 0 HB2 ARG A 139 9.576 1.906 50.667 1.00 38.69 H new ATOM 0 HB3 ARG A 139 10.390 1.289 51.845 1.00 38.69 H new ATOM 0 HG2 ARG A 139 10.342 4.011 51.081 1.00 39.39 H new ATOM 0 HG3 ARG A 139 10.119 3.438 52.514 1.00 39.39 H new ATOM 0 HD2 ARG A 139 12.430 2.711 52.386 1.00 41.78 H new ATOM 0 HD3 ARG A 139 12.552 3.678 51.169 1.00 41.78 H new ATOM 0 HE ARG A 139 12.437 4.468 53.755 1.00 44.27 H new ATOM 0 HH11 ARG A 139 12.816 5.738 50.667 1.00 49.43 H new ATOM 0 HH12 ARG A 139 13.427 7.015 51.131 1.00 49.43 H new ATOM 0 HH21 ARG A 139 13.370 6.382 54.372 1.00 48.50 H new ATOM 0 HH22 ARG A 139 13.758 7.402 53.358 1.00 48.50 H new ATOM 1134 N GLN A 140 10.172 -0.304 48.891 1.00 42.88 N ATOM 1135 CA GLN A 140 9.810 -1.669 48.469 1.00 46.80 C ATOM 1136 C GLN A 140 10.908 -2.383 47.664 1.00 47.46 C ATOM 1137 O GLN A 140 11.008 -3.607 47.735 1.00 47.36 O ATOM 1138 CB GLN A 140 8.458 -1.714 47.744 1.00 46.71 C ATOM 1139 CG GLN A 140 7.281 -1.613 48.707 1.00 48.81 C ATOM 1140 CD GLN A 140 5.931 -1.739 48.028 1.00 49.74 C ATOM 1141 OE1 GLN A 140 5.709 -1.186 46.944 1.00 58.38 O ATOM 1142 NE2 GLN A 140 5.004 -2.440 48.680 1.00 53.11 N ATOM 0 H GLN A 140 9.706 0.318 48.522 1.00 42.88 H new ATOM 0 HA GLN A 140 9.718 -2.171 49.294 1.00 46.80 H new ATOM 0 HB2 GLN A 140 8.412 -0.987 47.104 1.00 46.71 H new ATOM 0 HB3 GLN A 140 8.391 -2.540 47.240 1.00 46.71 H new ATOM 0 HG2 GLN A 140 7.363 -2.307 49.380 1.00 48.81 H new ATOM 0 HG3 GLN A 140 7.324 -0.762 49.170 1.00 48.81 H new ATOM 0 HE21 GLN A 140 5.195 -2.811 49.432 1.00 53.11 H new ATOM 0 HE22 GLN A 140 4.215 -2.522 48.349 1.00 53.11 H new ATOM 1143 N ALA A 141 11.728 -1.620 46.935 1.00 48.80 N ATOM 1144 CA ALA A 141 12.862 -2.160 46.171 1.00 49.09 C ATOM 1145 C ALA A 141 13.936 -2.752 47.090 1.00 50.57 C ATOM 1146 O ALA A 141 14.261 -3.937 46.978 1.00 50.99 O ATOM 1147 CB ALA A 141 13.480 -1.078 45.285 1.00 49.05 C ATOM 0 H ALA A 141 11.642 -0.767 46.869 1.00 48.80 H new ATOM 0 HA ALA A 141 12.516 -2.873 45.612 1.00 49.09 H new ATOM 0 HB1 ALA A 141 14.225 -1.452 44.789 1.00 49.05 H new ATOM 0 HB2 ALA A 141 12.812 -0.748 44.664 1.00 49.05 H new ATOM 0 HB3 ALA A 141 13.795 -0.347 45.839 1.00 49.05 H new ATOM 1148 N ALA A 142 14.466 -1.924 47.992 1.00 51.44 N ATOM 1149 CA ALA A 142 15.506 -2.339 48.938 1.00 52.01 C ATOM 1150 C ALA A 142 14.921 -3.219 50.034 1.00 52.56 C ATOM 1151 O ALA A 142 15.549 -4.189 50.456 1.00 53.27 O ATOM 1152 CB ALA A 142 16.193 -1.128 49.554 1.00 52.24 C ATOM 0 H ALA A 142 14.231 -1.101 48.073 1.00 51.44 H new ATOM 0 HA ALA A 142 16.166 -2.853 48.446 1.00 52.01 H new ATOM 0 HB1 ALA A 142 16.876 -1.425 50.176 1.00 52.24 H new ATOM 0 HB2 ALA A 142 16.603 -0.597 48.853 1.00 52.24 H new ATOM 0 HB3 ALA A 142 15.539 -0.590 50.026 1.00 52.24 H new TER 1153 ALA A 142 HETATM 1154 N BMSE B 1 -3.349 37.787 39.320 0.50 34.62 N HETATM 1155 CA BMSE B 1 -3.995 36.544 38.813 0.50 33.89 C HETATM 1156 C BMSE B 1 -5.445 36.873 38.475 0.50 34.67 C HETATM 1157 O BMSE B 1 -6.369 36.521 39.216 0.50 35.75 O HETATM 1158 CB BMSE B 1 -3.949 35.466 39.890 0.50 34.26 C HETATM 1159 CG BMSE B 1 -4.156 34.071 39.383 0.50 35.29 C HETATM 1160 SE BMSE B 1 -4.901 32.962 40.761 0.38 31.45 SE HETATM 1161 CE BMSE B 1 -6.598 33.870 40.730 0.50 34.43 C HETATM 0 H1 BMSE B 1 -2.499 37.618 39.524 0.50 34.62 H new HETATM 0 H2 BMSE B 1 -3.383 38.417 38.692 0.50 34.62 H new HETATM 0 H3 BMSE B 1 -3.778 38.069 40.047 0.50 34.62 H new HETATM 0 HA BMSE B 1 -3.531 36.217 38.027 0.50 33.89 H new HETATM 0 HB2BMSE B 1 -3.091 35.510 40.339 0.50 34.26 H new HETATM 0 HB3BMSE B 1 -4.628 35.660 40.555 0.50 34.26 H new HETATM 0 HG2BMSE B 1 -4.748 34.084 38.615 0.50 35.29 H new HETATM 0 HG3BMSE B 1 -3.311 33.701 39.083 0.50 35.29 H new HETATM 0 HE1BMSE B 1 -7.192 33.468 41.383 0.50 34.43 H new HETATM 0 HE2BMSE B 1 -6.468 34.807 40.945 0.50 34.43 H new HETATM 0 HE3BMSE B 1 -6.990 33.793 39.846 0.50 34.43 H new ATOM 1162 N BSER B 2 -5.650 37.550 37.352 0.50 34.20 N ATOM 1163 CA BSER B 2 -6.984 37.992 36.982 0.50 33.38 C ATOM 1164 C BSER B 2 -7.965 36.842 36.853 0.50 32.71 C ATOM 1165 O BSER B 2 -7.742 35.898 36.098 0.50 33.46 O ATOM 1166 CB BSER B 2 -6.963 38.791 35.676 0.50 34.19 C ATOM 1167 OG BSER B 2 -6.541 37.990 34.587 0.50 34.18 O ATOM 0 H BSER B 2 -5.032 37.762 36.793 0.50 34.20 H new ATOM 0 HA BSER B 2 -7.286 38.564 37.705 0.50 33.38 H new ATOM 0 HB2BSER B 2 -7.849 39.144 35.496 0.50 34.19 H new ATOM 0 HB3BSER B 2 -6.368 39.552 35.770 0.50 34.19 H new ATOM 0 HG BSER B 2 -6.653 37.179 34.776 0.50 34.18 H new ATOM 1168 N AILE B 3 -17.549 24.638 28.713 0.50 20.91 N ATOM 1169 N BILE B 3 -9.062 36.925 37.591 0.50 31.12 N ATOM 1170 CA AILE B 3 -17.046 25.020 30.031 0.50 19.96 C ATOM 1171 CA BILE B 3 -10.090 35.910 37.461 0.50 30.54 C ATOM 1172 C AILE B 3 -17.485 26.449 30.332 0.50 19.60 C ATOM 1173 C BILE B 3 -10.838 36.364 36.218 0.50 30.13 C ATOM 1174 O AILE B 3 -17.395 27.345 29.484 0.50 17.81 O ATOM 1175 O BILE B 3 -11.838 37.088 36.262 0.50 30.60 O ATOM 1176 CB AILE B 3 -15.486 24.875 30.126 0.50 20.63 C ATOM 1177 CB BILE B 3 -10.974 35.759 38.715 0.50 30.42 C ATOM 1178 CG1AILE B 3 -14.932 25.435 31.444 0.50 22.30 C ATOM 1179 CG1BILE B 3 -10.107 35.549 39.963 0.50 29.52 C ATOM 1180 CG2AILE B 3 -14.806 25.589 28.976 0.50 22.79 C ATOM 1181 CG2BILE B 3 -11.968 34.611 38.529 0.50 31.68 C ATOM 1182 CD1AILE B 3 -13.444 25.191 31.671 0.50 19.52 C ATOM 1183 CD1BILE B 3 -9.010 34.464 39.854 0.50 24.05 C ATOM 0 H AILE B 3 -17.982 24.141 28.161 0.50 31.12 H new ATOM 0 H BILE B 3 -9.228 37.547 38.161 0.50 31.12 H new ATOM 0 HA AILE B 3 -17.419 24.419 30.695 0.50 30.54 H new ATOM 0 HA BILE B 3 -9.734 35.012 37.376 0.50 30.54 H new ATOM 0 HB AILE B 3 -15.297 23.924 30.086 0.50 30.42 H new ATOM 0 HB BILE B 3 -11.480 36.577 38.841 0.50 30.42 H new ATOM 0 HG12AILE B 3 -15.097 26.391 31.469 0.50 29.52 H new ATOM 0 HG12BILE B 3 -9.682 36.392 40.185 0.50 29.52 H new ATOM 0 HG13AILE B 3 -15.427 25.042 32.180 0.50 29.52 H new ATOM 0 HG13BILE B 3 -10.689 35.321 40.705 0.50 29.52 H new ATOM 0 HG21AILE B 3 -13.845 25.487 29.054 0.50 31.68 H new ATOM 0 HG21BILE B 3 -12.518 34.527 39.324 0.50 31.68 H new ATOM 0 HG22AILE B 3 -15.104 25.207 28.136 0.50 31.68 H new ATOM 0 HG22BILE B 3 -12.534 34.794 37.763 0.50 31.68 H new ATOM 0 HG23AILE B 3 -15.033 26.532 29.000 0.50 31.68 H new ATOM 0 HG23BILE B 3 -11.483 33.784 38.382 0.50 31.68 H new ATOM 0 HD11AILE B 3 -13.179 25.575 32.521 0.50 24.05 H new ATOM 0 HD11BILE B 3 -8.522 34.411 40.691 0.50 24.05 H new ATOM 0 HD12AILE B 3 -13.270 24.237 31.679 0.50 24.05 H new ATOM 0 HD12BILE B 3 -9.421 33.606 39.665 0.50 24.05 H new ATOM 0 HD13AILE B 3 -12.935 25.606 30.957 0.50 24.05 H new ATOM 0 HD13BILE B 3 -8.398 34.693 39.137 0.50 24.05 H new ATOM 1184 N ASER B 4 -17.939 26.665 31.558 0.50 20.38 N ATOM 1185 N BSER B 4 -10.260 35.935 35.105 0.50 29.38 N ATOM 1186 CA ASER B 4 -18.329 28.011 31.974 0.50 21.41 C ATOM 1187 CA BSER B 4 -10.704 36.290 33.768 0.50 28.77 C ATOM 1188 C ASER B 4 -17.188 28.989 31.817 0.50 22.46 C ATOM 1189 C BSER B 4 -12.004 35.616 33.364 0.50 26.94 C ATOM 1190 O ASER B 4 -16.042 28.683 32.144 0.50 22.88 O ATOM 1191 O BSER B 4 -12.646 36.050 32.413 0.50 26.61 O ATOM 1192 CB ASER B 4 -18.748 28.041 33.440 0.50 21.81 C ATOM 1193 CB BSER B 4 -9.601 35.943 32.749 0.50 28.38 C ATOM 1194 OG ASER B 4 -19.183 29.338 33.820 0.50 20.09 O ATOM 1195 OG BSER B 4 -9.008 34.671 32.991 0.50 29.72 O ATOM 0 H ASER B 4 -18.030 26.057 32.160 0.50 29.38 H new ATOM 0 H BSER B 4 -9.577 35.413 35.108 0.50 29.38 H new ATOM 0 HA ASER B 4 -19.072 28.264 31.404 0.50 28.77 H new ATOM 0 HA BSER B 4 -10.877 37.244 33.775 0.50 28.77 H new ATOM 0 HB2ASER B 4 -19.461 27.401 33.589 0.50 28.38 H new ATOM 0 HB2BSER B 4 -9.977 35.955 31.855 0.50 28.38 H new ATOM 0 HB3ASER B 4 -18.002 27.770 33.998 0.50 28.38 H new ATOM 0 HB3BSER B 4 -8.913 36.627 32.777 0.50 28.38 H new ATOM 0 HG ASER B 4 -19.410 29.332 34.629 0.50 29.72 H new ATOM 0 HG BSER B 4 -8.416 34.523 32.414 0.50 29.72 H new ATOM 1196 N ASER B 5 -17.511 30.179 31.329 0.50 22.91 N ATOM 1197 N BSER B 5 -12.415 34.591 34.099 0.50 25.91 N ATOM 1198 CA ASER B 5 -16.520 31.247 31.214 0.50 22.77 C ATOM 1199 CA BSER B 5 -13.573 33.816 33.677 0.50 25.10 C ATOM 1200 C ASER B 5 -16.098 31.680 32.616 0.50 22.83 C ATOM 1201 C BSER B 5 -14.411 33.217 34.785 0.50 26.40 C ATOM 1202 O ASER B 5 -15.026 32.239 32.816 0.50 20.09 O ATOM 1203 O BSER B 5 -13.981 33.140 35.934 0.50 22.82 O ATOM 1204 CB ASER B 5 -17.105 32.448 30.475 0.50 21.85 C ATOM 1205 CB BSER B 5 -13.074 32.623 32.865 0.50 24.33 C ATOM 1206 OG ASER B 5 -18.151 33.027 31.224 0.50 21.04 O ATOM 1207 OG BSER B 5 -12.518 31.645 33.738 0.50 13.51 O ATOM 0 H ASER B 5 -18.299 30.392 31.058 0.50 25.91 H new ATOM 0 H BSER B 5 -12.046 34.331 34.831 0.50 25.91 H new ATOM 0 HA ASER B 5 -15.757 30.917 30.715 0.50 25.10 H new ATOM 0 HA BSER B 5 -14.130 34.448 33.196 0.50 25.10 H new ATOM 0 HB2ASER B 5 -16.411 33.106 30.316 0.50 24.33 H new ATOM 0 HB2BSER B 5 -13.805 32.238 32.358 0.50 24.33 H new ATOM 0 HB3ASER B 5 -17.437 32.170 29.607 0.50 24.33 H new ATOM 0 HB3BSER B 5 -12.406 32.914 32.224 0.50 24.33 H new ATOM 0 HG ASER B 5 -18.462 33.687 30.807 0.50 13.51 H new ATOM 0 HG BSER B 5 -12.299 30.966 33.295 0.50 13.51 H new ATOM 1208 N ALYS B 6 -16.939 31.375 33.600 0.50 25.82 N ATOM 1209 N BLYS B 6 -15.562 32.683 34.386 0.50 29.05 N ATOM 1210 CA ALYS B 6 -16.693 31.770 35.002 0.50 28.83 C ATOM 1211 CA BLYS B 6 -16.430 32.007 35.342 0.50 29.73 C ATOM 1212 C ALYS B 6 -15.878 30.706 35.743 0.50 29.04 C ATOM 1213 C BLYS B 6 -15.792 30.701 35.837 0.50 29.68 C ATOM 1214 O ALYS B 6 -15.829 30.702 36.972 0.50 28.13 O ATOM 1215 O BLYS B 6 -15.850 30.475 37.038 0.50 28.78 O ATOM 1216 CB ALYS B 6 -18.017 31.986 35.765 0.50 29.19 C ATOM 1217 CB BLYS B 6 -17.840 31.758 34.793 0.50 31.41 C ATOM 1218 CG ALYS B 6 -19.101 32.732 34.993 0.50 30.75 C ATOM 1219 CG BLYS B 6 -18.890 31.476 35.874 0.50 32.46 C ATOM 1220 CD ALYS B 6 -20.316 33.138 35.827 0.50 32.25 C ATOM 1221 CD BLYS B 6 -19.329 32.750 36.601 0.50 33.17 C ATOM 1222 CE ALYS B 6 -20.036 34.332 36.743 0.50 37.09 C ATOM 1223 CE BLYS B 6 -20.079 32.455 37.900 0.50 36.47 C ATOM 1224 NZ ALYS B 6 -21.300 34.966 37.235 0.50 34.85 N ATOM 1225 NZ BLYS B 6 -19.189 31.893 38.974 0.50 37.99 N ATOM 0 H ALYS B 6 -17.668 30.935 33.483 0.50 29.05 H new ATOM 0 H BLYS B 6 -15.855 32.701 33.578 0.50 29.05 H new ATOM 0 HA ALYS B 6 -16.195 32.602 34.973 0.50 29.73 H new ATOM 0 HA BLYS B 6 -16.530 32.607 36.098 0.50 29.73 H new ATOM 0 HB2ALYS B 6 -18.366 31.120 36.028 0.50 31.41 H new ATOM 0 HB2BLYS B 6 -18.118 32.532 34.279 0.50 31.41 H new ATOM 0 HB3ALYS B 6 -17.827 32.475 36.581 0.50 31.41 H new ATOM 0 HB3BLYS B 6 -17.810 31.007 34.180 0.50 31.41 H new ATOM 0 HG2ALYS B 6 -18.711 33.530 34.602 0.50 32.46 H new ATOM 0 HG2BLYS B 6 -19.664 31.054 35.469 0.50 32.46 H new ATOM 0 HG3ALYS B 6 -19.400 32.173 34.259 0.50 32.46 H new ATOM 0 HG3BLYS B 6 -18.528 30.847 36.518 0.50 32.46 H new ATOM 0 HD2ALYS B 6 -21.052 33.357 35.234 0.50 33.17 H new ATOM 0 HD2BLYS B 6 -18.549 33.292 36.798 0.50 33.17 H new ATOM 0 HD3ALYS B 6 -20.600 32.383 36.365 0.50 33.17 H new ATOM 0 HD3BLYS B 6 -19.897 33.274 36.015 0.50 33.17 H new ATOM 0 HE2ALYS B 6 -19.505 34.041 37.500 0.50 36.47 H new ATOM 0 HE2BLYS B 6 -20.492 33.271 38.223 0.50 36.47 H new ATOM 0 HE3ALYS B 6 -19.509 34.991 36.264 0.50 36.47 H new ATOM 0 HE3BLYS B 6 -20.796 31.827 37.719 0.50 36.47 H new ATOM 0 HZ1ALYS B 6 -21.101 35.654 37.763 0.50 37.99 H new ATOM 0 HZ1BLYS B 6 -19.567 31.167 39.323 0.50 37.99 H new ATOM 0 HZ2ALYS B 6 -21.778 35.253 36.541 0.50 37.99 H new ATOM 0 HZ2BLYS B 6 -18.400 31.677 38.623 0.50 37.99 H new ATOM 0 HZ3ALYS B 6 -21.773 34.368 37.694 0.50 37.99 H new ATOM 0 HZ3BLYS B 6 -19.072 32.502 39.612 0.50 37.99 H new ATOM 1226 N ALA B 7 -15.220 29.840 34.974 1.00 28.70 N ATOM 1227 CA ALA B 7 -14.527 28.638 35.450 1.00 28.03 C ATOM 1228 C ALA B 7 -13.494 28.946 36.527 1.00 28.13 C ATOM 1229 O ALA B 7 -13.490 28.294 37.564 1.00 26.44 O ATOM 1230 CB ALA B 7 -13.859 27.895 34.289 1.00 29.55 C ATOM 0 H AALA B 7 -15.162 29.940 34.122 0.50 28.70 H new ATOM 0 H BALA B 7 -15.225 29.937 34.119 0.50 28.70 H new ATOM 0 HA ALA B 7 -15.206 28.070 35.847 1.00 28.03 H new ATOM 0 HB1 ALA B 7 -13.408 27.105 34.627 1.00 29.55 H new ATOM 0 HB2 ALA B 7 -14.533 27.631 33.643 1.00 29.55 H new ATOM 0 HB3 ALA B 7 -13.213 28.478 33.861 1.00 29.55 H new ATOM 1231 N LYS B 8 -12.698 29.984 36.311 1.00 28.51 N ATOM 1232 CA LYS B 8 -11.681 30.380 37.300 1.00 28.19 C ATOM 1233 C LYS B 8 -12.323 30.905 38.591 1.00 28.37 C ATOM 1234 O LYS B 8 -11.866 30.548 39.676 1.00 27.48 O ATOM 1235 CB LYS B 8 -10.701 31.390 36.709 1.00 28.38 C ATOM 1236 CG LYS B 8 -9.830 30.755 35.631 1.00 30.18 C ATOM 1237 CD LYS B 8 -8.807 31.725 35.100 1.00 29.07 C ATOM 1238 CE LYS B 8 -7.939 31.065 34.070 1.00 28.58 C ATOM 1239 NZ LYS B 8 -6.821 31.955 33.690 1.00 29.85 N ATOM 0 H LYS B 8 -12.723 30.475 35.605 1.00 28.51 H new ATOM 0 HA LYS B 8 -11.176 29.586 37.535 1.00 28.19 H new ATOM 0 HB2 LYS B 8 -11.192 32.137 36.332 1.00 28.38 H new ATOM 0 HB3 LYS B 8 -10.138 31.747 37.413 1.00 28.38 H new ATOM 0 HG2 LYS B 8 -9.380 29.976 35.995 1.00 30.18 H new ATOM 0 HG3 LYS B 8 -10.391 30.444 34.903 1.00 30.18 H new ATOM 0 HD2 LYS B 8 -9.254 32.493 34.710 1.00 29.07 H new ATOM 0 HD3 LYS B 8 -8.259 32.056 35.829 1.00 29.07 H new ATOM 0 HE2 LYS B 8 -7.591 30.230 34.419 1.00 28.58 H new ATOM 0 HE3 LYS B 8 -8.467 30.846 33.286 1.00 28.58 H new ATOM 0 HZ1 LYS B 8 -6.252 31.511 33.169 1.00 29.85 H new ATOM 0 HZ2 LYS B 8 -7.139 32.659 33.249 1.00 29.85 H new ATOM 0 HZ3 LYS B 8 -6.398 32.231 34.423 1.00 29.85 H new ATOM 1240 N GLU B 9 -13.388 31.697 38.452 1.00 28.07 N ATOM 1241 CA AGLU B 9 -14.154 32.204 39.601 0.50 28.33 C ATOM 1242 CA BGLU B 9 -14.153 32.199 39.597 0.50 28.86 C ATOM 1243 C GLU B 9 -14.712 31.001 40.355 1.00 27.66 C ATOM 1244 O GLU B 9 -14.627 30.939 41.574 1.00 28.58 O ATOM 1245 CB AGLU B 9 -15.314 33.117 39.172 0.50 28.60 C ATOM 1246 CB BGLU B 9 -15.331 33.068 39.160 0.50 29.33 C ATOM 1247 CG AGLU B 9 -16.158 33.680 40.337 0.50 29.42 C ATOM 1248 CG BGLU B 9 -14.990 34.372 38.444 0.50 33.27 C ATOM 1249 CD AGLU B 9 -17.452 34.325 39.907 0.50 30.89 C ATOM 1250 CD BGLU B 9 -16.234 35.114 37.946 0.50 31.77 C ATOM 1251 OE1AGLU B 9 -17.406 35.491 39.446 0.50 36.43 O ATOM 1252 OE1BGLU B 9 -17.363 34.775 38.363 0.50 41.45 O ATOM 1253 OE2AGLU B 9 -18.514 33.673 40.078 0.50 26.90 O ATOM 1254 OE2BGLU B 9 -16.096 36.040 37.111 0.50 42.07 O ATOM 0 H AGLU B 9 -13.689 31.957 37.690 0.50 28.07 H new ATOM 0 H BGLU B 9 -13.688 31.959 37.690 0.50 28.07 H new ATOM 0 HA AGLU B 9 -13.564 32.735 40.158 0.50 28.86 H new ATOM 0 HA BGLU B 9 -13.561 32.737 40.145 0.50 28.86 H new ATOM 0 HB2AGLU B 9 -14.954 33.859 38.662 0.50 29.33 H new ATOM 0 HB2BGLU B 9 -15.897 32.540 38.575 0.50 29.33 H new ATOM 0 HB3AGLU B 9 -15.897 32.620 38.577 0.50 29.33 H new ATOM 0 HB3BGLU B 9 -15.857 33.282 39.946 0.50 29.33 H new ATOM 0 HG2AGLU B 9 -16.357 32.960 40.956 0.50 33.27 H new ATOM 0 HG2BGLU B 9 -14.494 34.948 39.047 0.50 33.27 H new ATOM 0 HG3AGLU B 9 -15.628 34.333 40.821 0.50 33.27 H new ATOM 0 HG3BGLU B 9 -14.409 34.181 37.691 0.50 33.27 H new ATOM 1255 N ILE B 10 -15.281 30.050 39.612 1.00 27.33 N ATOM 1256 CA ILE B 10 -15.880 28.858 40.206 1.00 27.35 C ATOM 1257 C ILE B 10 -14.869 28.096 41.024 1.00 27.37 C ATOM 1258 O ILE B 10 -15.115 27.800 42.185 1.00 26.75 O ATOM 1259 CB ILE B 10 -16.531 27.937 39.139 1.00 27.55 C ATOM 1260 CG1 ILE B 10 -17.844 28.551 38.652 1.00 26.98 C ATOM 1261 CG2 ILE B 10 -16.843 26.548 39.711 1.00 27.99 C ATOM 1262 CD1 ILE B 10 -18.382 27.873 37.413 1.00 27.82 C ATOM 0 H ILE B 10 -15.330 30.079 38.754 1.00 27.33 H new ATOM 0 HA ILE B 10 -16.588 29.160 40.796 1.00 27.35 H new ATOM 0 HB ILE B 10 -15.898 27.849 38.409 1.00 27.55 H new ATOM 0 HG12 ILE B 10 -18.505 28.494 39.360 1.00 26.98 H new ATOM 0 HG13 ILE B 10 -17.707 29.493 38.467 1.00 26.98 H new ATOM 0 HG21 ILE B 10 -17.248 25.998 39.022 1.00 27.99 H new ATOM 0 HG22 ILE B 10 -16.022 26.132 40.016 1.00 27.99 H new ATOM 0 HG23 ILE B 10 -17.457 26.635 40.457 1.00 27.99 H new ATOM 0 HD11 ILE B 10 -19.212 28.298 37.146 1.00 27.82 H new ATOM 0 HD12 ILE B 10 -17.734 27.950 36.695 1.00 27.82 H new ATOM 0 HD13 ILE B 10 -18.545 26.936 37.602 1.00 27.82 H new ATOM 1263 N LEU B 11 -13.717 27.815 40.426 1.00 26.24 N ATOM 1264 CA LEU B 11 -12.676 27.089 41.130 1.00 26.13 C ATOM 1265 C LEU B 11 -12.224 27.820 42.382 1.00 25.51 C ATOM 1266 O LEU B 11 -11.984 27.189 43.409 1.00 27.30 O ATOM 1267 CB LEU B 11 -11.474 26.820 40.224 1.00 27.08 C ATOM 1268 CG LEU B 11 -11.719 25.739 39.177 1.00 27.55 C ATOM 1269 CD1 LEU B 11 -10.396 25.497 38.435 1.00 27.83 C ATOM 1270 CD2 LEU B 11 -12.211 24.445 39.819 1.00 25.65 C ATOM 0 H LEU B 11 -13.522 28.035 39.618 1.00 26.24 H new ATOM 0 HA LEU B 11 -13.062 26.240 41.397 1.00 26.13 H new ATOM 0 HB2 LEU B 11 -11.228 27.644 39.774 1.00 27.08 H new ATOM 0 HB3 LEU B 11 -10.718 26.560 40.773 1.00 27.08 H new ATOM 0 HG LEU B 11 -12.409 26.031 38.561 1.00 27.55 H new ATOM 0 HD11 LEU B 11 -10.524 24.811 37.761 1.00 27.83 H new ATOM 0 HD12 LEU B 11 -10.109 26.320 38.009 1.00 27.83 H new ATOM 0 HD13 LEU B 11 -9.719 25.207 39.066 1.00 27.83 H new ATOM 0 HD21 LEU B 11 -12.358 23.778 39.131 1.00 25.65 H new ATOM 0 HD22 LEU B 11 -11.545 24.121 40.446 1.00 25.65 H new ATOM 0 HD23 LEU B 11 -13.043 24.613 40.289 1.00 25.65 H new ATOM 1271 N THR B 12 -12.140 29.133 42.294 1.00 24.84 N ATOM 1272 CA THR B 12 -11.732 29.942 43.434 1.00 26.46 C ATOM 1273 C THR B 12 -12.711 29.824 44.596 1.00 26.18 C ATOM 1274 O THR B 12 -12.313 29.491 45.716 1.00 25.73 O ATOM 1275 CB THR B 12 -11.471 31.397 43.017 1.00 28.96 C ATOM 1276 OG1 THR B 12 -10.478 31.397 41.979 1.00 28.51 O ATOM 1277 CG2 THR B 12 -10.971 32.214 44.182 1.00 26.90 C ATOM 0 H THR B 12 -12.315 29.581 41.581 1.00 24.84 H new ATOM 0 HA THR B 12 -10.889 29.590 43.761 1.00 26.46 H new ATOM 0 HB THR B 12 -12.300 31.791 42.705 1.00 28.96 H new ATOM 0 HG1 THR B 12 -10.825 31.137 41.259 1.00 28.51 H new ATOM 0 HG21 THR B 12 -10.814 33.127 43.894 1.00 26.90 H new ATOM 0 HG22 THR B 12 -11.634 32.208 44.890 1.00 26.90 H new ATOM 0 HG23 THR B 12 -10.143 31.833 44.513 1.00 26.90 H new ATOM 1278 N GLN B 13 -13.985 30.024 44.289 1.00 26.10 N ATOM 1279 CA GLN B 13 -15.061 29.933 45.271 1.00 26.46 C ATOM 1280 C GLN B 13 -15.218 28.524 45.829 1.00 25.06 C ATOM 1281 O GLN B 13 -15.327 28.335 47.038 1.00 25.19 O ATOM 1282 CB GLN B 13 -16.374 30.377 44.640 1.00 25.63 C ATOM 1283 CG GLN B 13 -17.430 30.627 45.681 1.00 28.47 C ATOM 1284 CD GLN B 13 -18.717 31.201 45.141 1.00 30.42 C ATOM 1285 OE1 GLN B 13 -18.812 31.635 43.987 1.00 39.90 O ATOM 1286 NE2 GLN B 13 -19.727 31.227 46.003 1.00 39.25 N ATOM 0 H GLN B 13 -14.254 30.219 43.496 1.00 26.10 H new ATOM 0 HA GLN B 13 -14.828 30.518 46.009 1.00 26.46 H new ATOM 0 HB2 GLN B 13 -16.229 31.185 44.124 1.00 25.63 H new ATOM 0 HB3 GLN B 13 -16.683 29.697 44.021 1.00 25.63 H new ATOM 0 HG2 GLN B 13 -17.626 29.792 46.133 1.00 28.47 H new ATOM 0 HG3 GLN B 13 -17.073 31.234 46.348 1.00 28.47 H new ATOM 0 HE21 GLN B 13 -19.622 30.915 46.798 1.00 39.25 H new ATOM 0 HE22 GLN B 13 -20.486 31.555 45.766 1.00 39.25 H new ATOM 1287 N PHE B 14 -15.274 27.548 44.930 1.00 24.25 N ATOM 1288 CA PHE B 14 -15.369 26.141 45.274 1.00 24.20 C ATOM 1289 C PHE B 14 -14.270 25.716 46.220 1.00 23.86 C ATOM 1290 O PHE B 14 -14.514 25.090 47.252 1.00 24.60 O ATOM 1291 CB PHE B 14 -15.332 25.316 43.977 1.00 24.00 C ATOM 1292 CG PHE B 14 -14.842 23.936 44.137 1.00 24.49 C ATOM 1293 CD1 PHE B 14 -15.531 23.002 44.898 1.00 25.95 C ATOM 1294 CD2 PHE B 14 -13.671 23.547 43.493 1.00 29.11 C ATOM 1295 CE1 PHE B 14 -15.059 21.713 45.010 1.00 28.30 C ATOM 1296 CE2 PHE B 14 -13.202 22.283 43.621 1.00 29.41 C ATOM 1297 CZ PHE B 14 -13.881 21.363 44.390 1.00 28.34 C ATOM 0 H PHE B 14 -15.257 27.692 44.082 1.00 24.25 H new ATOM 0 HA PHE B 14 -16.206 25.986 45.740 1.00 24.20 H new ATOM 0 HB2 PHE B 14 -16.226 25.287 43.601 1.00 24.00 H new ATOM 0 HB3 PHE B 14 -14.769 25.773 43.333 1.00 24.00 H new ATOM 0 HD1 PHE B 14 -16.315 23.248 45.334 1.00 25.95 H new ATOM 0 HD2 PHE B 14 -13.207 24.160 42.970 1.00 29.11 H new ATOM 0 HE1 PHE B 14 -15.534 21.082 45.502 1.00 28.30 H new ATOM 0 HE2 PHE B 14 -12.418 22.035 43.188 1.00 29.41 H new ATOM 0 HZ PHE B 14 -13.542 20.503 44.490 1.00 28.34 H new ATOM 1298 N THR B 15 -13.040 26.049 45.846 1.00 24.75 N ATOM 1299 CA THR B 15 -11.897 25.679 46.647 1.00 24.86 C ATOM 1300 C THR B 15 -12.007 26.320 48.020 1.00 24.44 C ATOM 1301 O THR B 15 -11.807 25.655 49.029 1.00 24.22 O ATOM 1302 CB THR B 15 -10.585 26.045 45.946 1.00 25.18 C ATOM 1303 OG1 THR B 15 -10.505 25.305 44.715 1.00 25.64 O ATOM 1304 CG2 THR B 15 -9.376 25.706 46.853 1.00 24.02 C ATOM 0 H THR B 15 -12.852 26.489 45.131 1.00 24.75 H new ATOM 0 HA THR B 15 -11.889 24.716 46.761 1.00 24.86 H new ATOM 0 HB THR B 15 -10.565 26.997 45.762 1.00 25.18 H new ATOM 0 HG1 THR B 15 -10.921 25.717 44.113 1.00 25.64 H new ATOM 0 HG21 THR B 15 -8.553 25.943 46.397 1.00 24.02 H new ATOM 0 HG22 THR B 15 -9.442 26.207 47.681 1.00 24.02 H new ATOM 0 HG23 THR B 15 -9.375 24.756 47.049 1.00 24.02 H new ATOM 1305 N ARG B 16 -12.395 27.585 48.060 1.00 25.03 N ATOM 1306 CA ARG B 16 -12.544 28.263 49.340 1.00 25.59 C ATOM 1307 C ARG B 16 -13.635 27.629 50.192 1.00 24.87 C ATOM 1308 O ARG B 16 -13.403 27.251 51.344 1.00 26.64 O ATOM 1309 CB ARG B 16 -12.864 29.727 49.141 1.00 24.20 C ATOM 1310 CG ARG B 16 -13.010 30.497 50.445 1.00 27.76 C ATOM 1311 CD ARG B 16 -13.214 31.960 50.242 1.00 29.01 C ATOM 1312 NE ARG B 16 -14.562 32.262 49.770 1.00 31.43 N ATOM 1313 CZ ARG B 16 -14.912 32.708 48.560 1.00 35.70 C ATOM 1314 NH1 ARG B 16 -14.039 33.051 47.619 1.00 31.26 N ATOM 1315 NH2 ARG B 16 -16.195 32.894 48.312 1.00 33.70 N ATOM 0 H ARG B 16 -12.575 28.065 47.369 1.00 25.03 H new ATOM 0 HA ARG B 16 -11.696 28.174 49.803 1.00 25.59 H new ATOM 0 HB2 ARG B 16 -12.163 30.135 48.609 1.00 24.20 H new ATOM 0 HB3 ARG B 16 -13.687 29.805 48.633 1.00 24.20 H new ATOM 0 HG2 ARG B 16 -13.760 30.138 50.944 1.00 27.76 H new ATOM 0 HG3 ARG B 16 -12.217 30.359 50.986 1.00 27.76 H new ATOM 0 HD2 ARG B 16 -13.052 32.428 51.076 1.00 29.01 H new ATOM 0 HD3 ARG B 16 -12.566 32.291 49.601 1.00 29.01 H new ATOM 0 HE ARG B 16 -15.201 32.139 50.332 1.00 31.43 H new ATOM 0 HH11 ARG B 16 -13.195 32.991 47.773 1.00 31.26 H new ATOM 0 HH12 ARG B 16 -14.318 33.333 46.856 1.00 31.26 H new ATOM 0 HH21 ARG B 16 -16.779 32.729 48.921 1.00 33.70 H new ATOM 0 HH22 ARG B 16 -16.447 33.180 47.541 1.00 33.70 H new ATOM 1316 N GLU B 17 -14.826 27.524 49.613 1.00 23.86 N ATOM 1317 CA GLU B 17 -15.985 27.003 50.326 1.00 25.30 C ATOM 1318 C GLU B 17 -15.852 25.570 50.774 1.00 23.17 C ATOM 1319 O GLU B 17 -15.980 25.282 51.955 1.00 25.06 O ATOM 1320 CB GLU B 17 -17.243 27.153 49.496 1.00 25.36 C ATOM 1321 CG GLU B 17 -17.618 28.599 49.280 1.00 24.67 C ATOM 1322 CD GLU B 17 -18.901 28.753 48.480 1.00 30.98 C ATOM 1323 OE1 GLU B 17 -19.407 27.743 47.950 1.00 32.83 O ATOM 1324 OE2 GLU B 17 -19.396 29.893 48.376 1.00 34.21 O ATOM 0 H GLU B 17 -14.984 27.752 48.799 1.00 23.86 H new ATOM 0 HA GLU B 17 -16.043 27.541 51.131 1.00 25.30 H new ATOM 0 HB2 GLU B 17 -17.114 26.723 48.636 1.00 25.36 H new ATOM 0 HB3 GLU B 17 -17.975 26.693 49.936 1.00 25.36 H new ATOM 0 HG2 GLU B 17 -17.722 29.035 50.140 1.00 24.67 H new ATOM 0 HG3 GLU B 17 -16.896 29.052 48.818 1.00 24.67 H new ATOM 1325 N VAL B 18 -15.551 24.678 49.834 1.00 22.82 N ATOM 1326 CA VAL B 18 -15.497 23.277 50.153 1.00 21.94 C ATOM 1327 C VAL B 18 -14.210 22.890 50.846 1.00 22.90 C ATOM 1328 O VAL B 18 -14.265 22.272 51.907 1.00 23.75 O ATOM 1329 CB VAL B 18 -15.692 22.389 48.908 1.00 22.27 C ATOM 1330 CG1 VAL B 18 -15.656 20.915 49.269 1.00 23.26 C ATOM 1331 CG2 VAL B 18 -17.064 22.705 48.285 1.00 22.43 C ATOM 0 H VAL B 18 -15.378 24.872 49.014 1.00 22.82 H new ATOM 0 HA VAL B 18 -16.234 23.124 50.765 1.00 21.94 H new ATOM 0 HB VAL B 18 -14.972 22.573 48.285 1.00 22.27 H new ATOM 0 HG11 VAL B 18 -15.781 20.382 48.468 1.00 23.26 H new ATOM 0 HG12 VAL B 18 -14.799 20.700 49.669 1.00 23.26 H new ATOM 0 HG13 VAL B 18 -16.365 20.719 49.901 1.00 23.26 H new ATOM 0 HG21 VAL B 18 -17.198 22.152 47.500 1.00 22.43 H new ATOM 0 HG22 VAL B 18 -17.763 22.522 48.932 1.00 22.43 H new ATOM 0 HG23 VAL B 18 -17.096 23.640 48.030 1.00 22.43 H new ATOM 1332 N TRP B 19 -13.087 23.271 50.251 1.00 23.38 N ATOM 1333 CA TRP B 19 -11.782 22.767 50.689 1.00 24.51 C ATOM 1334 C TRP B 19 -11.065 23.569 51.739 1.00 26.54 C ATOM 1335 O TRP B 19 -10.352 23.001 52.567 1.00 27.25 O ATOM 1336 CB TRP B 19 -10.900 22.473 49.478 1.00 25.85 C ATOM 1337 CG TRP B 19 -11.435 21.262 48.798 1.00 25.66 C ATOM 1338 CD1 TRP B 19 -12.282 21.224 47.760 1.00 26.47 C ATOM 1339 CD2 TRP B 19 -11.254 19.916 49.233 1.00 25.92 C ATOM 1340 NE1 TRP B 19 -12.609 19.928 47.462 1.00 25.10 N ATOM 1341 CE2 TRP B 19 -11.997 19.096 48.355 1.00 26.69 C ATOM 1342 CE3 TRP B 19 -10.519 19.323 50.265 1.00 27.94 C ATOM 1343 CZ2 TRP B 19 -12.016 17.709 48.468 1.00 28.46 C ATOM 1344 CZ3 TRP B 19 -10.552 17.945 50.396 1.00 28.35 C ATOM 1345 CH2 TRP B 19 -11.284 17.151 49.486 1.00 28.93 C ATOM 0 H TRP B 19 -13.054 23.821 49.591 1.00 23.38 H new ATOM 0 HA TRP B 19 -11.980 21.944 51.162 1.00 24.51 H new ATOM 0 HB2 TRP B 19 -10.897 23.229 48.870 1.00 25.85 H new ATOM 0 HB3 TRP B 19 -9.982 22.328 49.755 1.00 25.85 H new ATOM 0 HD1 TRP B 19 -12.602 21.971 47.307 1.00 26.47 H new ATOM 0 HE1 TRP B 19 -13.118 19.678 46.816 1.00 25.10 H new ATOM 0 HE3 TRP B 19 -10.019 19.844 50.851 1.00 27.94 H new ATOM 0 HZ2 TRP B 19 -12.505 17.182 47.878 1.00 28.46 H new ATOM 0 HZ3 TRP B 19 -10.087 17.538 51.091 1.00 28.35 H new ATOM 0 HH2 TRP B 19 -11.270 16.226 49.579 1.00 28.93 H new ATOM 1346 N SER B 20 -11.221 24.877 51.697 1.00 25.59 N ATOM 1347 CA SER B 20 -10.627 25.741 52.724 1.00 24.74 C ATOM 1348 C SER B 20 -11.558 25.927 53.906 1.00 26.25 C ATOM 1349 O SER B 20 -11.102 26.104 55.023 1.00 27.13 O ATOM 1350 CB SER B 20 -10.206 27.082 52.135 1.00 23.68 C ATOM 1351 OG SER B 20 -9.186 26.835 51.196 1.00 25.83 O ATOM 0 H SER B 20 -11.664 25.293 51.089 1.00 25.59 H new ATOM 0 HA SER B 20 -9.830 25.297 53.053 1.00 24.74 H new ATOM 0 HB2 SER B 20 -10.961 27.520 51.711 1.00 23.68 H new ATOM 0 HB3 SER B 20 -9.889 27.676 52.833 1.00 23.68 H new ATOM 0 HG SER B 20 -9.267 27.364 50.549 1.00 25.83 H new ATOM 1352 N GLU B 21 -12.863 25.870 53.679 1.00 25.30 N ATOM 1353 CA GLU B 21 -13.845 26.120 54.732 1.00 26.63 C ATOM 1354 C GLU B 21 -14.646 24.924 55.213 1.00 25.87 C ATOM 1355 O GLU B 21 -15.388 25.036 56.192 1.00 26.77 O ATOM 1356 CB GLU B 21 -14.754 27.249 54.283 1.00 25.73 C ATOM 1357 CG GLU B 21 -13.997 28.577 54.186 1.00 28.19 C ATOM 1358 CD GLU B 21 -14.797 29.687 53.581 1.00 27.92 C ATOM 1359 OE1 GLU B 21 -15.967 29.488 53.216 1.00 29.58 O ATOM 1360 OE2 GLU B 21 -14.249 30.802 53.454 1.00 31.96 O ATOM 0 H GLU B 21 -13.207 25.686 52.913 1.00 25.30 H new ATOM 0 HA GLU B 21 -13.333 26.362 55.519 1.00 26.63 H new ATOM 0 HB2 GLU B 21 -15.139 27.031 53.420 1.00 25.73 H new ATOM 0 HB3 GLU B 21 -15.491 27.340 54.908 1.00 25.73 H new ATOM 0 HG2 GLU B 21 -13.712 28.842 55.074 1.00 28.19 H new ATOM 0 HG3 GLU B 21 -13.194 28.444 53.658 1.00 28.19 H new ATOM 1361 N GLY B 22 -14.499 23.787 54.543 1.00 25.04 N ATOM 1362 CA GLY B 22 -15.185 22.579 54.919 1.00 24.96 C ATOM 1363 C GLY B 22 -16.684 22.655 54.741 1.00 26.06 C ATOM 1364 O GLY B 22 -17.409 21.982 55.445 1.00 26.66 O ATOM 0 H GLY B 22 -13.992 23.703 53.853 1.00 25.04 H new ATOM 0 HA2 GLY B 22 -14.841 21.842 54.390 1.00 24.96 H new ATOM 0 HA3 GLY B 22 -14.987 22.379 55.847 1.00 24.96 H new ATOM 1365 N ASN B 23 -17.150 23.479 53.816 1.00 26.30 N ATOM 1366 CA ASN B 23 -18.571 23.605 53.543 1.00 25.81 C ATOM 1367 C ASN B 23 -18.848 22.486 52.554 1.00 25.48 C ATOM 1368 O ASN B 23 -18.948 22.702 51.352 1.00 26.16 O ATOM 1369 CB ASN B 23 -18.884 24.990 52.991 1.00 26.04 C ATOM 1370 CG ASN B 23 -20.359 25.254 52.832 1.00 29.14 C ATOM 1371 OD1 ASN B 23 -21.193 24.353 52.889 1.00 28.64 O ATOM 1372 ND2 ASN B 23 -20.681 26.509 52.596 1.00 32.41 N ATOM 0 H ASN B 23 -16.651 23.982 53.328 1.00 26.30 H new ATOM 0 HA ASN B 23 -19.133 23.523 54.329 1.00 25.81 H new ATOM 0 HB2 ASN B 23 -18.505 25.659 53.582 1.00 26.04 H new ATOM 0 HB3 ASN B 23 -18.450 25.093 52.130 1.00 26.04 H new ATOM 0 HD21 ASN B 23 -21.504 26.726 52.474 1.00 32.41 H new ATOM 0 HD22 ASN B 23 -20.068 27.111 52.564 1.00 32.41 H new ATOM 1373 N ILE B 24 -18.986 21.282 53.101 1.00 26.54 N ATOM 1374 CA ILE B 24 -19.133 20.057 52.306 1.00 26.87 C ATOM 1375 C ILE B 24 -20.349 20.089 51.401 1.00 26.94 C ATOM 1376 O ILE B 24 -20.271 19.661 50.250 1.00 25.91 O ATOM 1377 CB ILE B 24 -19.242 18.767 53.173 1.00 28.00 C ATOM 1378 CG1 ILE B 24 -18.146 18.662 54.241 1.00 31.12 C ATOM 1379 CG2 ILE B 24 -19.209 17.510 52.289 1.00 28.99 C ATOM 1380 CD1 ILE B 24 -16.809 18.822 53.732 1.00 28.89 C ATOM 0 H ILE B 24 -18.998 21.148 53.950 1.00 26.54 H new ATOM 0 HA ILE B 24 -18.320 20.028 51.778 1.00 26.87 H new ATOM 0 HB ILE B 24 -20.094 18.829 53.633 1.00 28.00 H new ATOM 0 HG12 ILE B 24 -18.305 19.335 54.921 1.00 31.12 H new ATOM 0 HG13 ILE B 24 -18.214 17.798 54.676 1.00 31.12 H new ATOM 0 HG21 ILE B 24 -19.278 16.720 52.847 1.00 28.99 H new ATOM 0 HG22 ILE B 24 -19.953 17.532 51.667 1.00 28.99 H new ATOM 0 HG23 ILE B 24 -18.375 17.484 51.794 1.00 28.99 H new ATOM 0 HD11 ILE B 24 -16.174 18.744 54.461 1.00 28.89 H new ATOM 0 HD12 ILE B 24 -16.629 18.134 53.072 1.00 28.89 H new ATOM 0 HD13 ILE B 24 -16.722 19.696 53.320 1.00 28.89 H new ATOM 1381 N GLU B 25 -21.462 20.597 51.922 1.00 26.75 N ATOM 1382 CA GLU B 25 -22.700 20.678 51.155 1.00 27.65 C ATOM 1383 C GLU B 25 -22.647 21.679 50.005 1.00 28.29 C ATOM 1384 O GLU B 25 -23.472 21.591 49.089 1.00 29.90 O ATOM 1385 CB GLU B 25 -23.895 20.887 52.091 1.00 29.72 C ATOM 1386 CG GLU B 25 -24.050 19.752 53.134 1.00 27.49 C ATOM 1387 CD GLU B 25 -24.101 18.361 52.498 1.00 31.55 C ATOM 1388 OE1 GLU B 25 -24.833 18.212 51.506 1.00 28.95 O ATOM 1389 OE2 GLU B 25 -23.398 17.433 52.960 1.00 36.80 O ATOM 0 H GLU B 25 -21.521 20.902 52.724 1.00 26.75 H new ATOM 0 HA GLU B 25 -22.820 19.824 50.711 1.00 27.65 H new ATOM 0 HB2 GLU B 25 -23.793 21.733 52.554 1.00 29.72 H new ATOM 0 HB3 GLU B 25 -24.707 20.948 51.563 1.00 29.72 H new ATOM 0 HG2 GLU B 25 -23.309 19.790 53.759 1.00 27.49 H new ATOM 0 HG3 GLU B 25 -24.861 19.898 53.646 1.00 27.49 H new ATOM 1390 N ALA B 26 -21.684 22.603 50.028 1.00 26.49 N ATOM 1391 CA ALA B 26 -21.454 23.512 48.893 1.00 26.26 C ATOM 1392 C ALA B 26 -21.016 22.752 47.624 1.00 25.67 C ATOM 1393 O ALA B 26 -21.148 23.297 46.546 1.00 24.83 O ATOM 1394 CB ALA B 26 -20.439 24.587 49.224 1.00 27.51 C ATOM 0 H ALA B 26 -21.150 22.722 50.692 1.00 26.49 H new ATOM 0 HA ALA B 26 -22.306 23.940 48.715 1.00 26.26 H new ATOM 0 HB1 ALA B 26 -20.315 25.164 48.454 1.00 27.51 H new ATOM 0 HB2 ALA B 26 -20.758 25.113 49.974 1.00 27.51 H new ATOM 0 HB3 ALA B 26 -19.593 24.173 49.457 1.00 27.51 H new ATOM 1395 N SER B 27 -20.489 21.530 47.783 1.00 25.92 N ATOM 1396 CA SER B 27 -20.130 20.612 46.694 1.00 24.50 C ATOM 1397 C SER B 27 -21.228 20.435 45.656 1.00 23.94 C ATOM 1398 O SER B 27 -20.937 20.285 44.475 1.00 23.99 O ATOM 1399 CB SER B 27 -19.769 19.238 47.248 1.00 24.92 C ATOM 1400 OG SER B 27 -18.644 19.324 48.105 1.00 24.54 O ATOM 0 H SER B 27 -20.325 21.202 48.561 1.00 25.92 H new ATOM 0 HA SER B 27 -19.369 21.021 46.253 1.00 24.50 H new ATOM 0 HB2 SER B 27 -20.524 18.871 47.734 1.00 24.92 H new ATOM 0 HB3 SER B 27 -19.579 18.629 46.517 1.00 24.92 H new ATOM 0 HG SER B 27 -18.902 19.454 48.894 1.00 24.54 H new ATOM 1401 N ASP B 28 -22.480 20.463 46.100 1.00 25.43 N ATOM 1402 CA ASP B 28 -23.635 20.370 45.203 1.00 26.54 C ATOM 1403 C ASP B 28 -23.616 21.465 44.134 1.00 27.59 C ATOM 1404 O ASP B 28 -24.071 21.239 43.012 1.00 28.39 O ATOM 1405 CB ASP B 28 -24.950 20.498 45.978 1.00 27.32 C ATOM 1406 CG ASP B 28 -25.183 19.367 46.971 1.00 33.27 C ATOM 1407 OD1 ASP B 28 -24.729 18.231 46.743 1.00 36.91 O ATOM 1408 OD2 ASP B 28 -25.874 19.625 47.977 1.00 42.60 O ATOM 0 H ASP B 28 -22.688 20.537 46.931 1.00 25.43 H new ATOM 0 HA ASP B 28 -23.577 19.499 44.779 1.00 26.54 H new ATOM 0 HB2 ASP B 28 -24.955 21.343 46.454 1.00 27.32 H new ATOM 0 HB3 ASP B 28 -25.687 20.523 45.348 1.00 27.32 H new ATOM 1409 N LYS B 29 -23.103 22.644 44.479 1.00 26.68 N ATOM 1410 CA LYS B 29 -23.008 23.742 43.510 1.00 28.33 C ATOM 1411 C LYS B 29 -21.946 23.541 42.439 1.00 24.43 C ATOM 1412 O LYS B 29 -22.076 24.078 41.340 1.00 23.49 O ATOM 1413 CB LYS B 29 -22.700 25.078 44.206 1.00 28.22 C ATOM 1414 CG LYS B 29 -23.733 25.532 45.210 1.00 33.85 C ATOM 1415 CD LYS B 29 -23.412 26.929 45.767 1.00 34.49 C ATOM 1416 CE LYS B 29 -22.222 26.942 46.722 1.00 40.82 C ATOM 1417 NZ LYS B 29 -21.999 28.269 47.413 1.00 39.56 N ATOM 0 H LYS B 29 -22.805 22.831 45.264 1.00 26.68 H new ATOM 0 HA LYS B 29 -23.879 23.754 43.083 1.00 28.33 H new ATOM 0 HB2 LYS B 29 -21.844 25.002 44.656 1.00 28.22 H new ATOM 0 HB3 LYS B 29 -22.605 25.765 43.528 1.00 28.22 H new ATOM 0 HG2 LYS B 29 -24.608 25.544 44.791 1.00 33.85 H new ATOM 0 HG3 LYS B 29 -23.777 24.895 45.940 1.00 33.85 H new ATOM 0 HD2 LYS B 29 -23.232 27.531 45.028 1.00 34.49 H new ATOM 0 HD3 LYS B 29 -24.193 27.273 46.229 1.00 34.49 H new ATOM 0 HE2 LYS B 29 -22.352 26.256 47.395 1.00 40.82 H new ATOM 0 HE3 LYS B 29 -21.421 26.707 46.228 1.00 40.82 H new ATOM 0 HZ1 LYS B 29 -21.187 28.282 47.776 1.00 39.56 H new ATOM 0 HZ2 LYS B 29 -22.069 28.928 46.819 1.00 39.56 H new ATOM 0 HZ3 LYS B 29 -22.610 28.378 48.051 1.00 39.56 H new ATOM 1418 N TYR B 30 -20.915 22.766 42.747 1.00 23.68 N ATOM 1419 CA TYR B 30 -19.740 22.674 41.910 1.00 24.09 C ATOM 1420 C TYR B 30 -19.425 21.354 41.253 1.00 24.29 C ATOM 1421 O TYR B 30 -18.669 21.341 40.294 1.00 25.88 O ATOM 1422 CB TYR B 30 -18.532 23.020 42.746 1.00 25.28 C ATOM 1423 CG TYR B 30 -18.696 24.338 43.434 1.00 26.82 C ATOM 1424 CD1 TYR B 30 -18.800 25.519 42.684 1.00 28.91 C ATOM 1425 CD2 TYR B 30 -18.774 24.415 44.817 1.00 25.68 C ATOM 1426 CE1 TYR B 30 -18.979 26.744 43.311 1.00 27.89 C ATOM 1427 CE2 TYR B 30 -18.934 25.629 45.454 1.00 27.15 C ATOM 1428 CZ TYR B 30 -19.021 26.786 44.689 1.00 27.20 C ATOM 1429 OH TYR B 30 -19.191 27.997 45.285 1.00 31.45 O ATOM 0 H TYR B 30 -20.882 22.277 43.454 1.00 23.68 H new ATOM 0 HA TYR B 30 -19.945 23.282 41.182 1.00 24.09 H new ATOM 0 HB2 TYR B 30 -18.386 22.325 43.407 1.00 25.28 H new ATOM 0 HB3 TYR B 30 -17.744 23.045 42.181 1.00 25.28 H new ATOM 0 HD1 TYR B 30 -18.748 25.481 41.756 1.00 28.91 H new ATOM 0 HD2 TYR B 30 -18.718 23.637 45.323 1.00 25.68 H new ATOM 0 HE1 TYR B 30 -19.069 27.523 42.811 1.00 27.89 H new ATOM 0 HE2 TYR B 30 -18.983 25.672 46.382 1.00 27.15 H new ATOM 0 HH TYR B 30 -19.338 27.888 46.105 1.00 31.45 H new ATOM 1430 N ILE B 31 -19.930 20.259 41.820 1.00 24.13 N ATOM 1431 CA ILE B 31 -19.580 18.937 41.383 1.00 23.84 C ATOM 1432 C ILE B 31 -20.660 18.384 40.490 1.00 23.42 C ATOM 1433 O ILE B 31 -21.857 18.445 40.824 1.00 24.01 O ATOM 1434 CB ILE B 31 -19.343 18.026 42.624 1.00 25.66 C ATOM 1435 CG1 ILE B 31 -18.257 18.620 43.528 1.00 23.57 C ATOM 1436 CG2 ILE B 31 -18.989 16.621 42.194 1.00 20.43 C ATOM 1437 CD1 ILE B 31 -16.904 18.908 42.847 1.00 22.55 C ATOM 0 H ILE B 31 -20.489 20.276 42.473 1.00 24.13 H new ATOM 0 HA ILE B 31 -18.759 18.969 40.867 1.00 23.84 H new ATOM 0 HB ILE B 31 -20.166 17.981 43.136 1.00 25.66 H new ATOM 0 HG12 ILE B 31 -18.592 19.447 43.907 1.00 23.57 H new ATOM 0 HG13 ILE B 31 -18.105 18.010 44.267 1.00 23.57 H new ATOM 0 HG21 ILE B 31 -18.845 16.069 42.978 1.00 20.43 H new ATOM 0 HG22 ILE B 31 -19.715 16.251 41.667 1.00 20.43 H new ATOM 0 HG23 ILE B 31 -18.180 16.640 41.660 1.00 20.43 H new ATOM 0 HD11 ILE B 31 -16.287 19.280 43.497 1.00 22.55 H new ATOM 0 HD12 ILE B 31 -16.539 18.083 42.490 1.00 22.55 H new ATOM 0 HD13 ILE B 31 -17.034 19.543 42.125 1.00 22.55 H new ATOM 1438 N ALA B 32 -20.224 17.835 39.356 1.00 23.00 N ATOM 1439 CA ALA B 32 -21.109 17.224 38.384 1.00 23.69 C ATOM 1440 C ALA B 32 -21.657 15.931 38.980 1.00 24.54 C ATOM 1441 O ALA B 32 -21.118 15.409 39.978 1.00 23.33 O ATOM 1442 CB ALA B 32 -20.381 16.926 37.080 1.00 24.09 C ATOM 0 H ALA B 32 -19.394 17.810 39.133 1.00 23.00 H new ATOM 0 HA ALA B 32 -21.831 17.839 38.181 1.00 23.69 H new ATOM 0 HB1 ALA B 32 -20.997 16.519 36.451 1.00 24.09 H new ATOM 0 HB2 ALA B 32 -20.036 17.752 36.706 1.00 24.09 H new ATOM 0 HB3 ALA B 32 -19.645 16.317 37.252 1.00 24.09 H new ATOM 1443 N PRO B 33 -22.752 15.415 38.403 1.00 25.83 N ATOM 1444 CA PRO B 33 -23.309 14.142 38.899 1.00 26.62 C ATOM 1445 C PRO B 33 -22.335 12.966 38.966 1.00 26.95 C ATOM 1446 O PRO B 33 -22.529 12.055 39.781 1.00 27.25 O ATOM 1447 CB PRO B 33 -24.437 13.858 37.924 1.00 27.42 C ATOM 1448 CG PRO B 33 -24.890 15.210 37.502 1.00 25.13 C ATOM 1449 CD PRO B 33 -23.619 16.008 37.368 1.00 26.50 C ATOM 0 HA PRO B 33 -23.578 14.235 39.826 1.00 26.62 H new ATOM 0 HB2 PRO B 33 -24.130 13.333 37.168 1.00 27.42 H new ATOM 0 HB3 PRO B 33 -25.154 13.358 38.345 1.00 27.42 H new ATOM 0 HG2 PRO B 33 -25.375 15.174 36.663 1.00 25.13 H new ATOM 0 HG3 PRO B 33 -25.487 15.603 38.158 1.00 25.13 H new ATOM 0 HD2 PRO B 33 -23.232 15.923 36.482 1.00 26.50 H new ATOM 0 HD3 PRO B 33 -23.769 16.954 37.523 1.00 26.50 H new ATOM 1450 N LYS B 34 -21.325 12.994 38.102 1.00 26.92 N ATOM 1451 CA LYS B 34 -20.249 12.033 38.102 1.00 26.96 C ATOM 1452 C LYS B 34 -18.970 12.842 38.201 1.00 25.35 C ATOM 1453 O LYS B 34 -18.756 13.812 37.447 1.00 24.12 O ATOM 1454 CB LYS B 34 -20.247 11.211 36.824 1.00 28.28 C ATOM 1455 CG LYS B 34 -21.450 10.325 36.689 1.00 30.96 C ATOM 1456 CD LYS B 34 -21.583 9.775 35.282 1.00 33.19 C ATOM 1457 CE LYS B 34 -22.861 8.957 35.109 1.00 36.97 C ATOM 1458 NZ LYS B 34 -24.137 9.659 35.539 1.00 39.21 N ATOM 0 H LYS B 34 -21.252 13.591 37.487 1.00 26.92 H new ATOM 0 HA LYS B 34 -20.343 11.408 38.838 1.00 26.96 H new ATOM 0 HB2 LYS B 34 -20.206 11.809 36.062 1.00 28.28 H new ATOM 0 HB3 LYS B 34 -19.446 10.665 36.799 1.00 28.28 H new ATOM 0 HG2 LYS B 34 -21.384 9.591 37.319 1.00 30.96 H new ATOM 0 HG3 LYS B 34 -22.249 10.825 36.918 1.00 30.96 H new ATOM 0 HD2 LYS B 34 -21.580 10.508 34.647 1.00 33.19 H new ATOM 0 HD3 LYS B 34 -20.814 9.220 35.078 1.00 33.19 H new ATOM 0 HE2 LYS B 34 -22.945 8.707 34.176 1.00 36.97 H new ATOM 0 HE3 LYS B 34 -22.774 8.135 35.616 1.00 36.97 H new ATOM 0 HZ1 LYS B 34 -24.839 9.247 35.178 1.00 39.21 H new ATOM 0 HZ2 LYS B 34 -24.204 9.636 36.426 1.00 39.21 H new ATOM 0 HZ3 LYS B 34 -24.117 10.506 35.265 1.00 39.21 H new ATOM 1459 N TYR B 35 -18.145 12.449 39.157 1.00 22.97 N ATOM 1460 CA TYR B 35 -16.878 13.085 39.398 1.00 22.57 C ATOM 1461 C TYR B 35 -15.820 12.019 39.491 1.00 23.24 C ATOM 1462 O TYR B 35 -15.921 11.141 40.355 1.00 23.50 O ATOM 1463 CB TYR B 35 -16.931 13.866 40.687 1.00 24.86 C ATOM 1464 CG TYR B 35 -15.675 14.646 40.944 1.00 23.84 C ATOM 1465 CD1 TYR B 35 -14.612 14.076 41.636 1.00 25.89 C ATOM 1466 CD2 TYR B 35 -15.556 15.958 40.512 1.00 26.53 C ATOM 1467 CE1 TYR B 35 -13.457 14.796 41.903 1.00 25.99 C ATOM 1468 CE2 TYR B 35 -14.407 16.688 40.785 1.00 27.26 C ATOM 1469 CZ TYR B 35 -13.369 16.096 41.459 1.00 25.90 C ATOM 1470 OH TYR B 35 -12.250 16.820 41.776 1.00 24.79 O ATOM 0 H TYR B 35 -18.314 11.795 39.689 1.00 22.97 H new ATOM 0 HA TYR B 35 -16.672 13.697 38.674 1.00 22.57 H new ATOM 0 HB2 TYR B 35 -17.686 14.475 40.661 1.00 24.86 H new ATOM 0 HB3 TYR B 35 -17.085 13.255 41.425 1.00 24.86 H new ATOM 0 HD1 TYR B 35 -14.677 13.195 41.925 1.00 25.89 H new ATOM 0 HD2 TYR B 35 -16.251 16.352 40.036 1.00 26.53 H new ATOM 0 HE1 TYR B 35 -12.755 14.408 42.373 1.00 25.99 H new ATOM 0 HE2 TYR B 35 -14.341 17.575 40.512 1.00 27.26 H new ATOM 0 HH TYR B 35 -12.373 17.222 42.504 1.00 24.79 H new ATOM 1471 N THR B 36 -14.801 12.113 38.648 1.00 24.67 N ATOM 1472 CA THR B 36 -13.782 11.084 38.598 1.00 24.06 C ATOM 1473 C THR B 36 -12.445 11.546 39.107 1.00 25.75 C ATOM 1474 O THR B 36 -11.921 12.536 38.625 1.00 26.21 O ATOM 1475 CB THR B 36 -13.618 10.528 37.172 1.00 22.67 C ATOM 1476 OG1 THR B 36 -14.902 10.128 36.698 1.00 23.42 O ATOM 1477 CG2 THR B 36 -12.703 9.321 37.172 1.00 24.23 C ATOM 0 H THR B 36 -14.684 12.764 38.099 1.00 24.67 H new ATOM 0 HA THR B 36 -14.095 10.382 39.190 1.00 24.06 H new ATOM 0 HB THR B 36 -13.233 11.213 36.604 1.00 22.67 H new ATOM 0 HG1 THR B 36 -15.357 10.809 36.511 1.00 23.42 H new ATOM 0 HG21 THR B 36 -12.611 8.984 36.267 1.00 24.23 H new ATOM 0 HG22 THR B 36 -11.831 9.576 37.512 1.00 24.23 H new ATOM 0 HG23 THR B 36 -13.080 8.629 37.737 1.00 24.23 H new ATOM 1478 N VAL B 37 -11.894 10.799 40.063 1.00 25.00 N ATOM 1479 CA VAL B 37 -10.563 11.058 40.587 1.00 25.15 C ATOM 1480 C VAL B 37 -9.677 10.297 39.603 1.00 24.06 C ATOM 1481 O VAL B 37 -9.491 9.090 39.722 1.00 24.92 O ATOM 1482 CB VAL B 37 -10.377 10.529 42.018 1.00 24.69 C ATOM 1483 CG1 VAL B 37 -8.973 10.846 42.510 1.00 22.55 C ATOM 1484 CG2 VAL B 37 -11.448 11.103 42.935 1.00 27.53 C ATOM 0 H VAL B 37 -12.287 10.125 40.425 1.00 25.00 H new ATOM 0 HA VAL B 37 -10.364 12.005 40.655 1.00 25.15 H new ATOM 0 HB VAL B 37 -10.479 9.564 42.023 1.00 24.69 H new ATOM 0 HG11 VAL B 37 -8.863 10.510 43.413 1.00 22.55 H new ATOM 0 HG12 VAL B 37 -8.323 10.425 41.927 1.00 22.55 H new ATOM 0 HG13 VAL B 37 -8.837 11.806 42.504 1.00 22.55 H new ATOM 0 HG21 VAL B 37 -11.321 10.763 43.834 1.00 27.53 H new ATOM 0 HG22 VAL B 37 -11.382 12.071 42.944 1.00 27.53 H new ATOM 0 HG23 VAL B 37 -12.325 10.842 42.612 1.00 27.53 H new ATOM 1485 N LEU B 38 -9.186 11.025 38.616 1.00 25.41 N ATOM 1486 CA LEU B 38 -8.395 10.469 37.511 1.00 23.96 C ATOM 1487 C LEU B 38 -7.051 9.997 37.975 1.00 25.23 C ATOM 1488 O LEU B 38 -6.605 8.893 37.658 1.00 27.38 O ATOM 1489 CB LEU B 38 -8.165 11.544 36.440 1.00 25.89 C ATOM 1490 CG LEU B 38 -9.437 12.151 35.857 1.00 24.80 C ATOM 1491 CD1 LEU B 38 -9.109 13.386 34.996 1.00 26.33 C ATOM 1492 CD2 LEU B 38 -10.173 11.072 35.074 1.00 22.58 C ATOM 0 H LEU B 38 -9.301 11.875 38.561 1.00 25.41 H new ATOM 0 HA LEU B 38 -8.894 9.718 37.153 1.00 23.96 H new ATOM 0 HB2 LEU B 38 -7.629 12.255 36.824 1.00 25.89 H new ATOM 0 HB3 LEU B 38 -7.646 11.157 35.718 1.00 25.89 H new ATOM 0 HG LEU B 38 -10.017 12.465 36.568 1.00 24.80 H new ATOM 0 HD11 LEU B 38 -9.930 13.756 34.635 1.00 26.33 H new ATOM 0 HD12 LEU B 38 -8.666 14.054 35.543 1.00 26.33 H new ATOM 0 HD13 LEU B 38 -8.524 13.126 34.267 1.00 26.33 H new ATOM 0 HD21 LEU B 38 -10.986 11.443 34.696 1.00 22.58 H new ATOM 0 HD22 LEU B 38 -9.604 10.746 34.359 1.00 22.58 H new ATOM 0 HD23 LEU B 38 -10.398 10.338 35.667 1.00 22.58 H new ATOM 1493 N HIS B 39 -6.421 10.858 38.755 1.00 25.44 N ATOM 1494 CA HIS B 39 -5.072 10.627 39.209 1.00 25.53 C ATOM 1495 C HIS B 39 -4.920 11.469 40.442 1.00 25.69 C ATOM 1496 O HIS B 39 -5.166 12.674 40.400 1.00 23.71 O ATOM 1497 CB HIS B 39 -4.121 11.096 38.133 1.00 26.10 C ATOM 1498 CG HIS B 39 -2.680 10.886 38.465 1.00 27.06 C ATOM 1499 ND1 HIS B 39 -2.012 9.723 38.173 1.00 30.81 N ATOM 1500 CD2 HIS B 39 -1.780 11.706 39.046 1.00 27.04 C ATOM 1501 CE1 HIS B 39 -0.747 9.839 38.548 1.00 32.86 C ATOM 1502 NE2 HIS B 39 -0.585 11.031 39.094 1.00 26.45 N ATOM 0 H HIS B 39 -6.768 11.594 39.035 1.00 25.44 H new ATOM 0 HA HIS B 39 -4.887 9.693 39.395 1.00 25.53 H new ATOM 0 HB2 HIS B 39 -4.325 10.629 37.308 1.00 26.10 H new ATOM 0 HB3 HIS B 39 -4.272 12.040 37.970 1.00 26.10 H new ATOM 0 HD1 HIS B 39 -2.360 9.028 37.805 1.00 30.81 H new ATOM 0 HD2 HIS B 39 -1.939 12.568 39.356 1.00 27.04 H new ATOM 0 HE1 HIS B 39 -0.086 9.193 38.445 1.00 32.86 H new ATOM 1503 N ASP B 40 -4.450 10.855 41.520 1.00 24.67 N ATOM 1504 CA ASP B 40 -4.354 11.529 42.798 1.00 23.30 C ATOM 1505 C ASP B 40 -3.599 10.532 43.666 1.00 24.40 C ATOM 1506 O ASP B 40 -4.219 9.736 44.358 1.00 24.36 O ATOM 1507 CB ASP B 40 -5.753 11.828 43.346 1.00 24.31 C ATOM 1508 CG ASP B 40 -5.737 12.864 44.433 1.00 25.53 C ATOM 1509 OD1 ASP B 40 -4.658 13.217 44.964 1.00 28.38 O ATOM 1510 OD2 ASP B 40 -6.834 13.346 44.729 1.00 25.95 O ATOM 0 H ASP B 40 -4.180 10.039 41.528 1.00 24.67 H new ATOM 0 HA ASP B 40 -3.905 12.388 42.756 1.00 23.30 H new ATOM 0 HB2 ASP B 40 -6.322 12.132 42.622 1.00 24.31 H new ATOM 0 HB3 ASP B 40 -6.144 11.009 43.689 1.00 24.31 H new ATOM 1511 N PRO B 41 -2.248 10.528 43.554 1.00 25.08 N ATOM 1512 CA PRO B 41 -1.447 9.504 44.250 1.00 24.93 C ATOM 1513 C PRO B 41 -1.803 9.354 45.727 1.00 26.64 C ATOM 1514 O PRO B 41 -1.877 10.362 46.438 1.00 27.41 O ATOM 1515 CB PRO B 41 -0.009 9.977 44.057 1.00 25.43 C ATOM 1516 CG PRO B 41 -0.041 10.834 42.815 1.00 24.91 C ATOM 1517 CD PRO B 41 -1.411 11.450 42.767 1.00 26.51 C ATOM 0 HA PRO B 41 -1.609 8.618 43.889 1.00 24.93 H new ATOM 0 HB2 PRO B 41 0.300 10.483 44.825 1.00 25.43 H new ATOM 0 HB3 PRO B 41 0.596 9.226 43.950 1.00 25.43 H new ATOM 0 HG2 PRO B 41 0.646 11.518 42.848 1.00 24.91 H new ATOM 0 HG3 PRO B 41 0.128 10.301 42.022 1.00 24.91 H new ATOM 0 HD2 PRO B 41 -1.412 12.342 43.147 1.00 26.51 H new ATOM 0 HD3 PRO B 41 -1.732 11.530 41.855 1.00 26.51 H new ATOM 1518 N GLY B 42 -2.067 8.115 46.162 1.00 26.43 N ATOM 1519 CA GLY B 42 -2.435 7.837 47.537 1.00 26.95 C ATOM 1520 C GLY B 42 -3.901 8.036 47.884 1.00 27.31 C ATOM 1521 O GLY B 42 -4.336 7.630 48.947 1.00 28.89 O ATOM 0 H GLY B 42 -2.035 7.418 45.660 1.00 26.43 H new ATOM 0 HA2 GLY B 42 -2.194 6.919 47.739 1.00 26.95 H new ATOM 0 HA3 GLY B 42 -1.903 8.404 48.117 1.00 26.95 H new ATOM 1522 N ASP B 43 -4.686 8.623 46.995 1.00 27.51 N ATOM 1523 CA ASP B 43 -6.071 8.905 47.324 1.00 27.83 C ATOM 1524 C ASP B 43 -6.882 7.618 47.324 1.00 27.25 C ATOM 1525 O ASP B 43 -6.829 6.861 46.331 1.00 27.52 O ATOM 1526 CB ASP B 43 -6.659 9.889 46.333 1.00 27.08 C ATOM 1527 CG ASP B 43 -7.997 10.397 46.788 1.00 30.18 C ATOM 1528 OD1 ASP B 43 -8.997 9.712 46.533 1.00 32.41 O ATOM 1529 OD2 ASP B 43 -8.018 11.470 47.415 1.00 34.53 O ATOM 0 H ASP B 43 -4.441 8.863 46.206 1.00 27.51 H new ATOM 0 HA ASP B 43 -6.104 9.298 48.210 1.00 27.83 H new ATOM 0 HB2 ASP B 43 -6.051 10.636 46.217 1.00 27.08 H new ATOM 0 HB3 ASP B 43 -6.751 9.462 45.467 1.00 27.08 H new ATOM 1530 N PRO B 44 -7.618 7.334 48.422 1.00 29.31 N ATOM 1531 CA PRO B 44 -8.438 6.109 48.462 1.00 29.39 C ATOM 1532 C PRO B 44 -9.429 5.929 47.306 1.00 29.95 C ATOM 1533 O PRO B 44 -9.728 4.806 46.921 1.00 28.97 O ATOM 1534 CB PRO B 44 -9.197 6.252 49.786 1.00 30.47 C ATOM 1535 CG PRO B 44 -8.308 7.045 50.646 1.00 28.20 C ATOM 1536 CD PRO B 44 -7.734 8.073 49.699 1.00 29.44 C ATOM 0 HA PRO B 44 -7.870 5.327 48.382 1.00 29.39 H new ATOM 0 HB2 PRO B 44 -10.050 6.696 49.657 1.00 30.47 H new ATOM 0 HB3 PRO B 44 -9.385 5.385 50.179 1.00 30.47 H new ATOM 0 HG2 PRO B 44 -8.793 7.462 51.375 1.00 28.20 H new ATOM 0 HG3 PRO B 44 -7.613 6.498 51.044 1.00 28.20 H new ATOM 0 HD2 PRO B 44 -8.315 8.845 49.614 1.00 29.44 H new ATOM 0 HD3 PRO B 44 -6.872 8.398 50.004 1.00 29.44 H new ATOM 1537 N TRP B 45 -9.881 7.047 46.742 1.00 29.64 N ATOM 1538 CA TRP B 45 -10.835 7.079 45.641 1.00 30.24 C ATOM 1539 C TRP B 45 -10.177 7.274 44.285 1.00 28.04 C ATOM 1540 O TRP B 45 -10.869 7.514 43.316 1.00 25.43 O ATOM 1541 CB TRP B 45 -11.824 8.222 45.872 1.00 31.95 C ATOM 1542 CG TRP B 45 -12.628 8.000 47.072 1.00 34.11 C ATOM 1543 CD1 TRP B 45 -13.806 7.345 47.130 1.00 35.92 C ATOM 1544 CD2 TRP B 45 -12.319 8.406 48.401 1.00 32.62 C ATOM 1545 NE1 TRP B 45 -14.282 7.344 48.404 1.00 34.84 N ATOM 1546 CE2 TRP B 45 -13.388 7.986 49.213 1.00 37.89 C ATOM 1547 CE3 TRP B 45 -11.262 9.113 48.985 1.00 35.00 C ATOM 1548 CZ2 TRP B 45 -13.419 8.217 50.580 1.00 37.43 C ATOM 1549 CZ3 TRP B 45 -11.297 9.348 50.349 1.00 35.17 C ATOM 1550 CH2 TRP B 45 -12.376 8.902 51.125 1.00 35.83 C ATOM 0 H TRP B 45 -9.633 7.829 46.998 1.00 29.64 H new ATOM 0 HA TRP B 45 -11.280 6.217 45.626 1.00 30.24 H new ATOM 0 HB2 TRP B 45 -11.340 9.058 45.956 1.00 31.95 H new ATOM 0 HB3 TRP B 45 -12.407 8.308 45.102 1.00 31.95 H new ATOM 0 HD1 TRP B 45 -14.232 6.951 46.403 1.00 35.92 H new ATOM 0 HE1 TRP B 45 -15.026 6.995 48.659 1.00 34.84 H new ATOM 0 HE3 TRP B 45 -10.552 9.418 48.468 1.00 35.00 H new ATOM 0 HZ2 TRP B 45 -14.125 7.916 51.105 1.00 37.43 H new ATOM 0 HZ3 TRP B 45 -10.597 9.807 50.755 1.00 35.17 H new ATOM 0 HH2 TRP B 45 -12.380 9.079 52.038 1.00 35.83 H new ATOM 1551 N GLU B 46 -8.848 7.164 44.195 1.00 26.46 N ATOM 1552 CA GLU B 46 -8.185 7.326 42.920 1.00 25.16 C ATOM 1553 C GLU B 46 -8.720 6.274 41.959 1.00 24.07 C ATOM 1554 O GLU B 46 -8.801 5.111 42.306 1.00 24.15 O ATOM 1555 CB GLU B 46 -6.685 7.171 43.053 1.00 24.62 C ATOM 1556 CG GLU B 46 -5.954 7.602 41.804 1.00 25.51 C ATOM 1557 CD GLU B 46 -4.487 7.328 41.873 1.00 25.67 C ATOM 1558 OE1 GLU B 46 -4.094 6.272 42.443 1.00 27.96 O ATOM 1559 OE2 GLU B 46 -3.736 8.162 41.333 1.00 27.10 O ATOM 0 H GLU B 46 -8.326 6.998 44.858 1.00 26.46 H new ATOM 0 HA GLU B 46 -8.363 8.219 42.587 1.00 25.16 H new ATOM 0 HB2 GLU B 46 -6.373 7.696 43.806 1.00 24.62 H new ATOM 0 HB3 GLU B 46 -6.473 6.244 43.246 1.00 24.62 H new ATOM 0 HG2 GLU B 46 -6.330 7.141 41.038 1.00 25.51 H new ATOM 0 HG3 GLU B 46 -6.096 8.551 41.662 1.00 25.51 H new ATOM 1560 N GLY B 47 -9.054 6.713 40.753 1.00 23.55 N ATOM 1561 CA GLY B 47 -9.584 5.840 39.722 1.00 23.53 C ATOM 1562 C GLY B 47 -11.058 5.562 39.818 1.00 23.74 C ATOM 1563 O GLY B 47 -11.557 4.778 39.010 1.00 26.23 O ATOM 0 H GLY B 47 -8.978 7.534 40.510 1.00 23.55 H new ATOM 0 HA2 GLY B 47 -9.399 6.236 38.856 1.00 23.53 H new ATOM 0 HA3 GLY B 47 -9.107 4.996 39.756 1.00 23.53 H new ATOM 1564 N ARG B 48 -11.756 6.205 40.760 1.00 22.11 N ATOM 1565 CA AARG B 48 -13.187 5.998 40.955 0.50 23.00 C ATOM 1566 CA BARG B 48 -13.194 5.995 40.944 0.50 23.58 C ATOM 1567 C ARG B 48 -13.999 7.140 40.362 1.00 22.79 C ATOM 1568 O ARG B 48 -13.564 8.288 40.387 1.00 25.81 O ATOM 1569 CB AARG B 48 -13.513 5.875 42.442 0.50 23.64 C ATOM 1570 CB BARG B 48 -13.580 5.863 42.412 0.50 23.82 C ATOM 1571 CG AARG B 48 -12.697 4.829 43.213 0.50 24.02 C ATOM 1572 CG BARG B 48 -13.099 4.595 43.101 0.50 25.51 C ATOM 1573 CD AARG B 48 -12.821 3.440 42.594 0.50 27.10 C ATOM 1574 CD BARG B 48 -13.636 4.497 44.521 0.50 25.66 C ATOM 1575 NE AARG B 48 -12.156 2.411 43.396 0.50 26.10 N ATOM 1576 NE BARG B 48 -15.102 4.499 44.577 0.50 28.42 N ATOM 1577 CZ AARG B 48 -12.064 1.126 43.052 0.50 29.83 C ATOM 1578 CZ BARG B 48 -15.835 4.542 45.688 0.50 29.13 C ATOM 1579 NH1AARG B 48 -12.564 0.675 41.901 0.50 25.76 N ATOM 1580 NH1BARG B 48 -15.274 4.562 46.895 0.50 31.98 N ATOM 1581 NH2AARG B 48 -11.435 0.279 43.861 0.50 27.89 N ATOM 1582 NH2BARG B 48 -17.163 4.555 45.590 0.50 32.42 N ATOM 0 H AARG B 48 -11.408 6.774 41.303 0.50 22.11 H new ATOM 0 H BARG B 48 -11.410 6.772 41.307 0.50 22.11 H new ATOM 0 HA AARG B 48 -13.424 5.175 40.499 0.50 23.58 H new ATOM 0 HA BARG B 48 -13.395 5.167 40.481 0.50 23.58 H new ATOM 0 HB2AARG B 48 -13.377 6.740 42.859 0.50 23.82 H new ATOM 0 HB2BARG B 48 -13.228 6.628 42.893 0.50 23.82 H new ATOM 0 HB3AARG B 48 -14.454 5.660 42.534 0.50 23.82 H new ATOM 0 HB3BARG B 48 -14.547 5.904 42.482 0.50 23.82 H new ATOM 0 HG2AARG B 48 -11.764 5.094 43.228 0.50 25.51 H new ATOM 0 HG2BARG B 48 -13.384 3.820 42.592 0.50 25.51 H new ATOM 0 HG3AARG B 48 -12.998 4.800 44.135 0.50 25.51 H new ATOM 0 HG3BARG B 48 -12.129 4.582 43.119 0.50 25.51 H new ATOM 0 HD2AARG B 48 -13.759 3.215 42.497 0.50 25.66 H new ATOM 0 HD2BARG B 48 -13.302 3.685 44.933 0.50 25.66 H new ATOM 0 HD3AARG B 48 -12.438 3.450 41.703 0.50 25.66 H new ATOM 0 HD3BARG B 48 -13.296 5.240 45.043 0.50 25.66 H new ATOM 0 HE AARG B 48 -11.800 2.652 44.141 0.50 28.42 H new ATOM 0 HE BARG B 48 -15.524 4.470 43.828 0.50 28.42 H new ATOM 0 HH11AARG B 48 -12.957 1.217 41.361 0.50 31.98 H new ATOM 0 HH11BARG B 48 -14.418 4.547 46.971 0.50 31.98 H new ATOM 0 HH12AARG B 48 -12.494 -0.158 41.699 0.50 31.98 H new ATOM 0 HH12BARG B 48 -15.768 4.590 47.598 0.50 31.98 H new ATOM 0 HH21AARG B 48 -11.093 0.562 44.598 0.50 32.42 H new ATOM 0 HH21BARG B 48 -17.537 4.536 44.816 0.50 32.42 H new ATOM 0 HH22AARG B 48 -11.371 -0.552 43.648 0.50 32.42 H new ATOM 0 HH22BARG B 48 -17.646 4.583 46.301 0.50 32.42 H new ATOM 1583 N GLU B 49 -15.182 6.796 39.872 1.00 25.55 N ATOM 1584 CA GLU B 49 -16.127 7.749 39.338 1.00 26.50 C ATOM 1585 C GLU B 49 -17.103 7.850 40.485 1.00 25.55 C ATOM 1586 O GLU B 49 -17.776 6.879 40.828 1.00 26.60 O ATOM 1587 CB GLU B 49 -16.808 7.213 38.097 1.00 28.26 C ATOM 1588 CG GLU B 49 -17.666 8.240 37.448 1.00 29.13 C ATOM 1589 CD GLU B 49 -18.367 7.639 36.278 1.00 29.48 C ATOM 1590 OE1 GLU B 49 -19.299 6.865 36.540 1.00 27.26 O ATOM 1591 OE2 GLU B 49 -17.984 7.953 35.140 1.00 29.50 O ATOM 0 H GLU B 49 -15.459 5.982 39.842 1.00 25.55 H new ATOM 0 HA GLU B 49 -15.733 8.592 39.062 1.00 26.50 H new ATOM 0 HB2 GLU B 49 -16.137 6.907 37.467 1.00 28.26 H new ATOM 0 HB3 GLU B 49 -17.348 6.442 38.332 1.00 28.26 H new ATOM 0 HG2 GLU B 49 -18.314 8.582 38.084 1.00 29.13 H new ATOM 0 HG3 GLU B 49 -17.125 8.992 37.161 1.00 29.13 H new ATOM 1592 N LEU B 50 -17.106 9.003 41.136 1.00 23.72 N ATOM 1593 CA LEU B 50 -17.932 9.228 42.298 1.00 23.26 C ATOM 1594 C LEU B 50 -19.208 9.939 41.921 1.00 24.34 C ATOM 1595 O LEU B 50 -19.237 10.660 40.920 1.00 24.83 O ATOM 1596 CB LEU B 50 -17.187 10.123 43.270 1.00 22.74 C ATOM 1597 CG LEU B 50 -15.801 9.613 43.701 1.00 23.72 C ATOM 1598 CD1 LEU B 50 -15.149 10.602 44.640 1.00 27.16 C ATOM 1599 CD2 LEU B 50 -15.906 8.229 44.356 1.00 28.27 C ATOM 0 H LEU B 50 -16.624 9.679 40.911 1.00 23.72 H new ATOM 0 HA LEU B 50 -18.139 8.366 42.692 1.00 23.26 H new ATOM 0 HB2 LEU B 50 -17.082 10.998 42.866 1.00 22.74 H new ATOM 0 HB3 LEU B 50 -17.733 10.240 44.063 1.00 22.74 H new ATOM 0 HG LEU B 50 -15.247 9.526 42.910 1.00 23.72 H new ATOM 0 HD11 LEU B 50 -14.277 10.270 44.905 1.00 27.16 H new ATOM 0 HD12 LEU B 50 -15.047 11.456 44.191 1.00 27.16 H new ATOM 0 HD13 LEU B 50 -15.704 10.715 45.427 1.00 27.16 H new ATOM 0 HD21 LEU B 50 -15.022 7.928 44.619 1.00 28.27 H new ATOM 0 HD22 LEU B 50 -16.475 8.284 45.139 1.00 28.27 H new ATOM 0 HD23 LEU B 50 -16.287 7.600 43.724 1.00 28.27 H new ATOM 1600 N ASP B 51 -20.233 9.742 42.744 1.00 23.27 N ATOM 1601 CA ASP B 51 -21.439 10.561 42.662 1.00 24.13 C ATOM 1602 C ASP B 51 -21.199 11.708 43.654 1.00 23.99 C ATOM 1603 O ASP B 51 -20.155 11.731 44.310 1.00 23.26 O ATOM 1604 CB ASP B 51 -22.744 9.805 42.912 1.00 25.54 C ATOM 1605 CG ASP B 51 -22.783 9.032 44.212 1.00 27.53 C ATOM 1606 OD1 ASP B 51 -21.944 9.219 45.116 1.00 26.93 O ATOM 1607 OD2 ASP B 51 -23.705 8.200 44.304 1.00 28.76 O ATOM 0 H ASP B 51 -20.251 9.139 43.357 1.00 23.27 H new ATOM 0 HA ASP B 51 -21.573 10.883 41.757 1.00 24.13 H new ATOM 0 HB2 ASP B 51 -23.478 10.439 42.904 1.00 25.54 H new ATOM 0 HB3 ASP B 51 -22.893 9.189 42.178 1.00 25.54 H new ATOM 1608 N VAL B 52 -22.123 12.657 43.753 1.00 24.32 N ATOM 1609 CA VAL B 52 -21.915 13.806 44.668 1.00 24.25 C ATOM 1610 C VAL B 52 -21.817 13.373 46.139 1.00 24.05 C ATOM 1611 O VAL B 52 -20.990 13.890 46.883 1.00 25.86 O ATOM 1612 CB VAL B 52 -22.947 14.940 44.473 1.00 26.70 C ATOM 1613 CG1 VAL B 52 -22.639 16.098 45.436 1.00 25.82 C ATOM 1614 CG2 VAL B 52 -22.855 15.467 43.040 1.00 26.61 C ATOM 0 H VAL B 52 -22.864 12.667 43.316 1.00 24.32 H new ATOM 0 HA VAL B 52 -21.055 14.179 44.420 1.00 24.25 H new ATOM 0 HB VAL B 52 -23.835 14.592 44.649 1.00 26.70 H new ATOM 0 HG11 VAL B 52 -23.289 16.806 45.309 1.00 25.82 H new ATOM 0 HG12 VAL B 52 -22.683 15.779 46.351 1.00 25.82 H new ATOM 0 HG13 VAL B 52 -21.749 16.441 45.256 1.00 25.82 H new ATOM 0 HG21 VAL B 52 -23.502 16.179 42.915 1.00 26.61 H new ATOM 0 HG22 VAL B 52 -21.962 15.810 42.878 1.00 26.61 H new ATOM 0 HG23 VAL B 52 -23.043 14.747 42.418 1.00 26.61 H new ATOM 1615 N ALA B 53 -22.646 12.415 46.541 1.00 23.92 N ATOM 1616 CA ALA B 53 -22.585 11.856 47.899 1.00 24.89 C ATOM 1617 C ALA B 53 -21.177 11.306 48.165 1.00 25.42 C ATOM 1618 O ALA B 53 -20.569 11.603 49.195 1.00 25.07 O ATOM 1619 CB ALA B 53 -23.659 10.775 48.083 1.00 24.97 C ATOM 0 H ALA B 53 -23.256 12.070 46.043 1.00 23.92 H new ATOM 0 HA ALA B 53 -22.766 12.556 48.546 1.00 24.89 H new ATOM 0 HB1 ALA B 53 -23.606 10.416 48.983 1.00 24.97 H new ATOM 0 HB2 ALA B 53 -24.537 11.163 47.941 1.00 24.97 H new ATOM 0 HB3 ALA B 53 -23.514 10.062 47.442 1.00 24.97 H new ATOM 1620 N GLY B 54 -20.665 10.537 47.207 1.00 24.89 N ATOM 1621 CA GLY B 54 -19.322 9.982 47.266 1.00 24.70 C ATOM 1622 C GLY B 54 -18.260 11.046 47.319 1.00 24.25 C ATOM 1623 O GLY B 54 -17.304 10.916 48.057 1.00 25.45 O ATOM 0 H GLY B 54 -21.097 10.322 46.495 1.00 24.89 H new ATOM 0 HA2 GLY B 54 -19.245 9.413 48.048 1.00 24.70 H new ATOM 0 HA3 GLY B 54 -19.173 9.419 46.490 1.00 24.70 H new ATOM 1624 N TYR B 55 -18.416 12.094 46.514 1.00 23.51 N ATOM 1625 CA TYR B 55 -17.515 13.209 46.534 1.00 23.68 C ATOM 1626 C TYR B 55 -17.493 13.832 47.948 1.00 23.15 C ATOM 1627 O TYR B 55 -16.428 14.123 48.508 1.00 24.22 O ATOM 1628 CB TYR B 55 -17.972 14.263 45.508 1.00 23.81 C ATOM 1629 CG TYR B 55 -17.058 15.428 45.474 1.00 24.39 C ATOM 1630 CD1 TYR B 55 -17.231 16.507 46.354 1.00 27.58 C ATOM 1631 CD2 TYR B 55 -15.946 15.411 44.649 1.00 25.57 C ATOM 1632 CE1 TYR B 55 -16.336 17.548 46.361 1.00 24.81 C ATOM 1633 CE2 TYR B 55 -15.043 16.440 44.658 1.00 25.28 C ATOM 1634 CZ TYR B 55 -15.253 17.507 45.501 1.00 26.63 C ATOM 1635 OH TYR B 55 -14.350 18.518 45.479 1.00 26.78 O ATOM 0 H TYR B 55 -19.055 12.167 45.943 1.00 23.51 H new ATOM 0 HA TYR B 55 -16.623 12.906 46.304 1.00 23.68 H new ATOM 0 HB2 TYR B 55 -18.015 13.860 44.627 1.00 23.81 H new ATOM 0 HB3 TYR B 55 -18.868 14.561 45.728 1.00 23.81 H new ATOM 0 HD1 TYR B 55 -17.956 16.517 46.936 1.00 27.58 H new ATOM 0 HD2 TYR B 55 -15.810 14.689 44.079 1.00 25.57 H new ATOM 0 HE1 TYR B 55 -16.456 18.270 46.935 1.00 24.81 H new ATOM 0 HE2 TYR B 55 -14.298 16.418 44.102 1.00 25.28 H new ATOM 0 HH TYR B 55 -14.709 19.208 45.163 1.00 26.78 H new ATOM 1636 N LYS B 56 -18.681 14.069 48.489 1.00 23.93 N ATOM 1637 CA LYS B 56 -18.832 14.702 49.806 1.00 25.02 C ATOM 1638 C LYS B 56 -18.225 13.867 50.920 1.00 26.78 C ATOM 1639 O LYS B 56 -17.583 14.411 51.824 1.00 27.30 O ATOM 1640 CB LYS B 56 -20.307 15.055 50.080 1.00 24.06 C ATOM 1641 CG LYS B 56 -20.737 16.260 49.254 1.00 24.84 C ATOM 1642 CD LYS B 56 -22.060 16.872 49.643 1.00 27.71 C ATOM 1643 CE LYS B 56 -23.228 16.096 49.202 1.00 31.61 C ATOM 1644 NZ LYS B 56 -24.475 16.958 49.246 1.00 30.91 N ATOM 0 H LYS B 56 -19.426 13.870 48.108 1.00 23.93 H new ATOM 0 HA LYS B 56 -18.330 15.532 49.790 1.00 25.02 H new ATOM 0 HB2 LYS B 56 -20.871 14.295 49.868 1.00 24.06 H new ATOM 0 HB3 LYS B 56 -20.429 15.244 51.024 1.00 24.06 H new ATOM 0 HG2 LYS B 56 -20.050 16.941 49.322 1.00 24.84 H new ATOM 0 HG3 LYS B 56 -20.782 15.995 48.322 1.00 24.84 H new ATOM 0 HD2 LYS B 56 -22.091 16.967 50.608 1.00 27.71 H new ATOM 0 HD3 LYS B 56 -22.116 17.765 49.268 1.00 27.71 H new ATOM 0 HE2 LYS B 56 -23.085 15.768 48.301 1.00 31.61 H new ATOM 0 HE3 LYS B 56 -23.343 15.320 49.772 1.00 31.61 H new ATOM 0 HZ1 LYS B 56 -25.188 16.443 49.382 1.00 30.91 H new ATOM 0 HZ2 LYS B 56 -24.405 17.548 49.909 1.00 30.91 H new ATOM 0 HZ3 LYS B 56 -24.565 17.390 48.473 1.00 30.91 H new ATOM 1645 N GLU B 57 -18.412 12.550 50.833 1.00 28.23 N ATOM 1646 CA GLU B 57 -17.824 11.599 51.788 1.00 29.73 C ATOM 1647 C GLU B 57 -16.314 11.746 51.732 1.00 28.16 C ATOM 1648 O GLU B 57 -15.645 11.768 52.762 1.00 28.95 O ATOM 1649 CB GLU B 57 -18.207 10.160 51.420 1.00 30.17 C ATOM 1650 CG GLU B 57 -17.521 9.063 52.253 1.00 31.96 C ATOM 1651 CD GLU B 57 -17.662 7.664 51.656 1.00 36.34 C ATOM 1652 OE1 GLU B 57 -18.662 7.395 50.949 1.00 46.86 O ATOM 1653 OE2 GLU B 57 -16.762 6.829 51.925 1.00 51.39 O ATOM 0 H GLU B 57 -18.884 12.179 50.218 1.00 28.23 H new ATOM 0 HA GLU B 57 -18.156 11.786 52.680 1.00 29.73 H new ATOM 0 HB2 GLU B 57 -19.168 10.063 51.513 1.00 30.17 H new ATOM 0 HB3 GLU B 57 -17.996 10.014 50.484 1.00 30.17 H new ATOM 0 HG2 GLU B 57 -16.579 9.276 52.341 1.00 31.96 H new ATOM 0 HG3 GLU B 57 -17.896 9.064 53.147 1.00 31.96 H new ATOM 1654 N ARG B 58 -15.783 11.831 50.519 1.00 27.12 N ATOM 1655 CA ARG B 58 -14.339 12.023 50.318 1.00 25.83 C ATOM 1656 C ARG B 58 -13.831 13.343 50.912 1.00 26.76 C ATOM 1657 O ARG B 58 -12.745 13.384 51.500 1.00 27.64 O ATOM 1658 CB ARG B 58 -13.995 11.899 48.843 1.00 25.33 C ATOM 1659 CG ARG B 58 -12.566 12.275 48.516 1.00 25.72 C ATOM 1660 CD ARG B 58 -12.252 11.917 47.095 1.00 25.80 C ATOM 1661 NE ARG B 58 -10.892 12.313 46.755 1.00 27.91 N ATOM 1662 CZ ARG B 58 -10.510 13.560 46.514 1.00 28.37 C ATOM 1663 NH1 ARG B 58 -11.366 14.576 46.580 1.00 25.72 N ATOM 1664 NH2 ARG B 58 -9.239 13.807 46.237 1.00 27.67 N ATOM 0 H ARG B 58 -16.239 11.780 49.791 1.00 27.12 H new ATOM 0 HA ARG B 58 -13.879 11.320 50.802 1.00 25.83 H new ATOM 0 HB2 ARG B 58 -14.154 10.985 48.558 1.00 25.33 H new ATOM 0 HB3 ARG B 58 -14.595 12.464 48.331 1.00 25.33 H new ATOM 0 HG2 ARG B 58 -12.435 13.226 48.654 1.00 25.72 H new ATOM 0 HG3 ARG B 58 -11.958 11.815 49.115 1.00 25.72 H new ATOM 0 HD2 ARG B 58 -12.358 10.961 46.966 1.00 25.80 H new ATOM 0 HD3 ARG B 58 -12.880 12.355 46.500 1.00 25.80 H new ATOM 0 HE ARG B 58 -10.295 11.695 46.707 1.00 27.91 H new ATOM 0 HH11 ARG B 58 -12.189 14.432 46.783 1.00 25.72 H new ATOM 0 HH12 ARG B 58 -11.096 15.377 46.420 1.00 25.72 H new ATOM 0 HH21 ARG B 58 -8.671 13.162 46.215 1.00 27.67 H new ATOM 0 HH22 ARG B 58 -8.982 14.612 46.079 1.00 27.67 H new ATOM 1665 N VAL B 59 -14.605 14.414 50.761 1.00 26.61 N ATOM 1666 CA VAL B 59 -14.209 15.704 51.352 1.00 27.38 C ATOM 1667 C VAL B 59 -14.104 15.541 52.859 1.00 27.81 C ATOM 1668 O VAL B 59 -13.067 15.796 53.435 1.00 27.28 O ATOM 1669 CB VAL B 59 -15.152 16.849 51.011 1.00 27.11 C ATOM 1670 CG1 VAL B 59 -14.628 18.155 51.613 1.00 26.85 C ATOM 1671 CG2 VAL B 59 -15.276 16.993 49.495 1.00 26.31 C ATOM 0 H VAL B 59 -15.349 14.423 50.330 1.00 26.61 H new ATOM 0 HA VAL B 59 -13.351 15.945 50.968 1.00 27.38 H new ATOM 0 HB VAL B 59 -16.027 16.655 51.383 1.00 27.11 H new ATOM 0 HG11 VAL B 59 -15.234 18.880 51.392 1.00 26.85 H new ATOM 0 HG12 VAL B 59 -14.569 18.066 52.577 1.00 26.85 H new ATOM 0 HG13 VAL B 59 -13.748 18.348 51.252 1.00 26.85 H new ATOM 0 HG21 VAL B 59 -15.878 17.724 49.287 1.00 26.31 H new ATOM 0 HG22 VAL B 59 -14.403 17.176 49.115 1.00 26.31 H new ATOM 0 HG23 VAL B 59 -15.626 16.170 49.119 1.00 26.31 H new ATOM 1672 N LYS B 60 -15.169 15.047 53.469 1.00 27.66 N ATOM 1673 CA LYS B 60 -15.207 14.822 54.917 1.00 30.14 C ATOM 1674 C LYS B 60 -14.007 13.998 55.397 1.00 30.40 C ATOM 1675 O LYS B 60 -13.273 14.416 56.298 1.00 31.56 O ATOM 1676 CB LYS B 60 -16.527 14.137 55.252 1.00 29.95 C ATOM 1677 CG LYS B 60 -16.767 13.807 56.710 1.00 34.68 C ATOM 1678 CD LYS B 60 -18.222 13.439 56.884 1.00 33.82 C ATOM 1679 CE LYS B 60 -18.589 13.156 58.320 1.00 41.06 C ATOM 1680 NZ LYS B 60 -20.048 12.860 58.359 1.00 46.15 N ATOM 0 H LYS B 60 -15.894 14.830 53.061 1.00 27.66 H new ATOM 0 HA LYS B 60 -15.149 15.672 55.381 1.00 30.14 H new ATOM 0 HB2 LYS B 60 -17.250 14.707 54.947 1.00 29.95 H new ATOM 0 HB3 LYS B 60 -16.580 13.314 54.742 1.00 29.95 H new ATOM 0 HG2 LYS B 60 -16.198 13.072 56.988 1.00 34.68 H new ATOM 0 HG3 LYS B 60 -16.542 14.567 57.269 1.00 34.68 H new ATOM 0 HD2 LYS B 60 -18.776 14.162 56.550 1.00 33.82 H new ATOM 0 HD3 LYS B 60 -18.420 12.658 56.344 1.00 33.82 H new ATOM 0 HE2 LYS B 60 -18.079 12.404 58.661 1.00 41.06 H new ATOM 0 HE3 LYS B 60 -18.380 13.918 58.882 1.00 41.06 H new ATOM 0 HZ1 LYS B 60 -20.294 12.689 59.197 1.00 46.15 H new ATOM 0 HZ2 LYS B 60 -20.502 13.563 58.055 1.00 46.15 H new ATOM 0 HZ3 LYS B 60 -20.221 12.152 57.849 1.00 46.15 H new ATOM 1681 N THR B 61 -13.768 12.879 54.722 1.00 30.41 N ATOM 1682 CA THR B 61 -12.684 11.956 55.060 1.00 30.88 C ATOM 1683 C THR B 61 -11.310 12.568 54.879 1.00 31.05 C ATOM 1684 O THR B 61 -10.480 12.490 55.786 1.00 31.72 O ATOM 1685 CB THR B 61 -12.747 10.676 54.202 1.00 31.98 C ATOM 1686 OG1 THR B 61 -13.984 10.009 54.452 1.00 30.04 O ATOM 1687 CG2 THR B 61 -11.575 9.729 54.510 1.00 31.72 C ATOM 0 H THR B 61 -14.236 12.629 54.045 1.00 30.41 H new ATOM 0 HA THR B 61 -12.814 11.744 55.998 1.00 30.88 H new ATOM 0 HB THR B 61 -12.683 10.930 53.268 1.00 31.98 H new ATOM 0 HG1 THR B 61 -14.600 10.394 54.031 1.00 30.04 H new ATOM 0 HG21 THR B 61 -11.645 8.936 53.955 1.00 31.72 H new ATOM 0 HG22 THR B 61 -10.737 10.180 54.325 1.00 31.72 H new ATOM 0 HG23 THR B 61 -11.603 9.472 55.445 1.00 31.72 H new ATOM 1688 N LEU B 62 -11.082 13.165 53.712 1.00 29.96 N ATOM 1689 CA LEU B 62 -9.801 13.806 53.416 1.00 30.87 C ATOM 1690 C LEU B 62 -9.510 15.013 54.299 1.00 31.56 C ATOM 1691 O LEU B 62 -8.383 15.152 54.768 1.00 33.99 O ATOM 1692 CB LEU B 62 -9.667 14.171 51.932 1.00 29.52 C ATOM 1693 CG LEU B 62 -9.579 12.974 50.974 1.00 31.72 C ATOM 1694 CD1 LEU B 62 -9.470 13.521 49.575 1.00 32.31 C ATOM 1695 CD2 LEU B 62 -8.403 12.041 51.277 1.00 36.71 C ATOM 0 H LEU B 62 -11.658 13.211 53.075 1.00 29.96 H new ATOM 0 HA LEU B 62 -9.128 13.139 53.625 1.00 30.87 H new ATOM 0 HB2 LEU B 62 -10.427 14.717 51.677 1.00 29.52 H new ATOM 0 HB3 LEU B 62 -8.874 14.718 51.818 1.00 29.52 H new ATOM 0 HG LEU B 62 -10.376 12.431 51.083 1.00 31.72 H new ATOM 0 HD11 LEU B 62 -9.412 12.787 48.944 1.00 32.31 H new ATOM 0 HD12 LEU B 62 -10.253 14.058 49.375 1.00 32.31 H new ATOM 0 HD13 LEU B 62 -8.674 14.071 49.504 1.00 32.31 H new ATOM 0 HD21 LEU B 62 -8.400 11.308 50.642 1.00 36.71 H new ATOM 0 HD22 LEU B 62 -7.571 12.535 51.205 1.00 36.71 H new ATOM 0 HD23 LEU B 62 -8.492 11.689 52.176 1.00 36.71 H new ATOM 1696 N ARG B 63 -10.506 15.851 54.562 1.00 30.00 N ATOM 1697 CA ARG B 63 -10.291 17.044 55.387 1.00 29.88 C ATOM 1698 C ARG B 63 -10.226 16.794 56.888 1.00 30.69 C ATOM 1699 O ARG B 63 -9.752 17.654 57.624 1.00 32.74 O ATOM 1700 CB ARG B 63 -11.374 18.082 55.154 1.00 30.39 C ATOM 1701 CG ARG B 63 -11.402 18.631 53.768 1.00 31.30 C ATOM 1702 CD ARG B 63 -12.261 19.873 53.707 1.00 32.03 C ATOM 1703 NE ARG B 63 -11.591 21.083 54.206 1.00 29.63 N ATOM 1704 CZ ARG B 63 -11.757 21.693 55.385 1.00 30.97 C ATOM 1705 NH1 ARG B 63 -12.503 21.189 56.348 1.00 29.22 N ATOM 1706 NH2 ARG B 63 -11.092 22.818 55.616 1.00 31.37 N ATOM 0 H ARG B 63 -11.311 15.752 54.276 1.00 30.00 H new ATOM 0 HA ARG B 63 -9.419 17.358 55.100 1.00 29.88 H new ATOM 0 HB2 ARG B 63 -12.237 17.685 55.352 1.00 30.39 H new ATOM 0 HB3 ARG B 63 -11.248 18.813 55.779 1.00 30.39 H new ATOM 0 HG2 ARG B 63 -10.500 18.841 53.479 1.00 31.30 H new ATOM 0 HG3 ARG B 63 -11.747 17.962 53.156 1.00 31.30 H new ATOM 0 HD2 ARG B 63 -12.536 20.021 52.789 1.00 32.03 H new ATOM 0 HD3 ARG B 63 -13.068 19.724 54.224 1.00 32.03 H new ATOM 0 HE ARG B 63 -11.021 21.444 53.673 1.00 29.63 H new ATOM 0 HH11 ARG B 63 -12.907 20.439 56.231 1.00 29.22 H new ATOM 0 HH12 ARG B 63 -12.586 21.611 57.093 1.00 29.22 H new ATOM 0 HH21 ARG B 63 -10.568 23.139 55.014 1.00 31.37 H new ATOM 0 HH22 ARG B 63 -11.185 23.226 56.368 1.00 31.37 H new ATOM 1707 N ALA B 64 -10.731 15.653 57.347 1.00 30.76 N ATOM 1708 CA ALA B 64 -10.755 15.319 58.781 1.00 29.91 C ATOM 1709 C ALA B 64 -9.385 15.414 59.466 1.00 28.66 C ATOM 1710 O ALA B 64 -9.310 15.802 60.629 1.00 28.45 O ATOM 1711 CB ALA B 64 -11.363 13.935 58.980 1.00 31.04 C ATOM 0 H ALA B 64 -11.071 15.047 56.841 1.00 30.76 H new ATOM 0 HA ALA B 64 -11.308 15.990 59.211 1.00 29.91 H new ATOM 0 HB1 ALA B 64 -11.376 13.720 59.926 1.00 31.04 H new ATOM 0 HB2 ALA B 64 -12.269 13.927 58.634 1.00 31.04 H new ATOM 0 HB3 ALA B 64 -10.831 13.276 58.507 1.00 31.04 H new ATOM 1712 N ALA B 65 -8.334 15.077 58.725 1.00 28.49 N ATOM 1713 CA ALA B 65 -6.946 15.147 59.164 1.00 28.69 C ATOM 1714 C ALA B 65 -6.490 16.563 59.477 1.00 28.10 C ATOM 1715 O ALA B 65 -5.751 16.766 60.430 1.00 28.01 O ATOM 1716 CB ALA B 65 -6.031 14.557 58.099 1.00 30.24 C ATOM 0 H ALA B 65 -8.415 14.789 57.919 1.00 28.49 H new ATOM 0 HA ALA B 65 -6.893 14.634 59.986 1.00 28.69 H new ATOM 0 HB1 ALA B 65 -5.110 14.608 58.399 1.00 30.24 H new ATOM 0 HB2 ALA B 65 -6.270 13.630 57.945 1.00 30.24 H new ATOM 0 HB3 ALA B 65 -6.130 15.057 57.274 1.00 30.24 H new ATOM 1717 N PHE B 66 -6.909 17.518 58.643 1.00 26.82 N ATOM 1718 CA PHE B 66 -6.539 18.931 58.769 1.00 28.64 C ATOM 1719 C PHE B 66 -7.768 19.792 58.560 1.00 27.43 C ATOM 1720 O PHE B 66 -7.911 20.421 57.507 1.00 26.27 O ATOM 1721 CB PHE B 66 -5.436 19.286 57.778 1.00 27.82 C ATOM 1722 CG PHE B 66 -4.135 18.598 58.068 1.00 28.32 C ATOM 1723 CD1 PHE B 66 -3.250 19.121 59.009 1.00 26.11 C ATOM 1724 CD2 PHE B 66 -3.793 17.415 57.415 1.00 27.45 C ATOM 1725 CE1 PHE B 66 -2.041 18.475 59.277 1.00 27.12 C ATOM 1726 CE2 PHE B 66 -2.585 16.772 57.672 1.00 31.01 C ATOM 1727 CZ PHE B 66 -1.719 17.279 58.616 1.00 28.65 C ATOM 0 H PHE B 66 -7.427 17.359 57.975 1.00 26.82 H new ATOM 0 HA PHE B 66 -6.192 19.097 59.660 1.00 28.64 H new ATOM 0 HB2 PHE B 66 -5.726 19.051 56.883 1.00 27.82 H new ATOM 0 HB3 PHE B 66 -5.297 20.246 57.789 1.00 27.82 H new ATOM 0 HD1 PHE B 66 -3.466 19.905 59.461 1.00 26.11 H new ATOM 0 HD2 PHE B 66 -4.383 17.048 56.796 1.00 27.45 H new ATOM 0 HE1 PHE B 66 -1.448 18.838 59.895 1.00 27.12 H new ATOM 0 HE2 PHE B 66 -2.362 15.999 57.206 1.00 31.01 H new ATOM 0 HZ PHE B 66 -0.927 16.833 58.814 1.00 28.65 H new ATOM 1728 N PRO B 67 -8.658 19.825 59.573 1.00 27.85 N ATOM 1729 CA PRO B 67 -9.893 20.596 59.473 1.00 28.63 C ATOM 1730 C PRO B 67 -9.765 22.081 59.154 1.00 29.05 C ATOM 1731 O PRO B 67 -10.703 22.644 58.611 1.00 29.45 O ATOM 1732 CB PRO B 67 -10.543 20.418 60.849 1.00 29.30 C ATOM 1733 CG PRO B 67 -9.971 19.194 61.390 1.00 29.59 C ATOM 1734 CD PRO B 67 -8.588 19.106 60.865 1.00 27.55 C ATOM 0 HA PRO B 67 -10.400 20.266 58.715 1.00 28.63 H new ATOM 0 HB2 PRO B 67 -10.356 21.176 61.425 1.00 29.30 H new ATOM 0 HB3 PRO B 67 -11.508 20.350 60.774 1.00 29.30 H new ATOM 0 HG2 PRO B 67 -9.971 19.212 62.360 1.00 29.59 H new ATOM 0 HG3 PRO B 67 -10.492 18.421 61.121 1.00 29.59 H new ATOM 0 HD2 PRO B 67 -7.951 19.519 61.469 1.00 27.55 H new ATOM 0 HD3 PRO B 67 -8.310 18.184 60.746 1.00 27.55 H new ATOM 1735 N ASP B 68 -8.639 22.710 59.476 1.00 27.31 N ATOM 1736 CA ASP B 68 -8.482 24.134 59.215 1.00 26.91 C ATOM 1737 C ASP B 68 -7.642 24.391 57.974 1.00 26.54 C ATOM 1738 O ASP B 68 -7.188 25.515 57.772 1.00 27.37 O ATOM 1739 CB ASP B 68 -7.936 24.858 60.454 1.00 26.32 C ATOM 1740 CG ASP B 68 -6.450 24.677 60.660 1.00 25.06 C ATOM 1741 OD1 ASP B 68 -5.805 23.849 59.971 1.00 28.97 O ATOM 1742 OD2 ASP B 68 -5.935 25.397 61.546 1.00 25.68 O ATOM 0 H ASP B 68 -7.959 22.333 59.844 1.00 27.31 H new ATOM 0 HA ASP B 68 -9.359 24.504 59.029 1.00 26.91 H new ATOM 0 HB2 ASP B 68 -8.130 25.805 60.377 1.00 26.32 H new ATOM 0 HB3 ASP B 68 -8.405 24.535 61.240 1.00 26.32 H new ATOM 1743 N GLN B 69 -7.425 23.357 57.153 1.00 25.72 N ATOM 1744 CA GLN B 69 -6.623 23.502 55.972 1.00 24.62 C ATOM 1745 C GLN B 69 -7.173 24.606 55.090 1.00 24.51 C ATOM 1746 O GLN B 69 -8.386 24.774 54.976 1.00 24.54 O ATOM 1747 CB GLN B 69 -6.518 22.218 55.169 1.00 23.90 C ATOM 1748 CG GLN B 69 -7.807 21.697 54.556 1.00 24.29 C ATOM 1749 CD GLN B 69 -7.567 20.342 53.996 1.00 27.02 C ATOM 1750 OE1 GLN B 69 -7.262 20.211 52.830 1.00 29.89 O ATOM 1751 NE2 GLN B 69 -7.573 19.327 54.854 1.00 26.47 N ATOM 0 H GLN B 69 -7.741 22.567 57.277 1.00 25.72 H new ATOM 0 HA GLN B 69 -5.730 23.731 56.273 1.00 24.62 H new ATOM 0 HB2 GLN B 69 -5.877 22.358 54.455 1.00 23.90 H new ATOM 0 HB3 GLN B 69 -6.155 21.528 55.746 1.00 23.90 H new ATOM 0 HG2 GLN B 69 -8.506 21.662 55.227 1.00 24.29 H new ATOM 0 HG3 GLN B 69 -8.112 22.298 53.859 1.00 24.29 H new ATOM 0 HE21 GLN B 69 -7.795 19.459 55.674 1.00 26.47 H new ATOM 0 HE22 GLN B 69 -7.355 18.539 54.589 1.00 26.47 H new ATOM 1752 N CYS B 70 -6.250 25.360 54.523 1.00 26.34 N ATOM 1753 CA CYS B 70 -6.603 26.472 53.666 1.00 26.64 C ATOM 1754 C CYS B 70 -5.762 26.443 52.409 1.00 27.05 C ATOM 1755 O CYS B 70 -4.524 26.435 52.475 1.00 25.76 O ATOM 1756 CB CYS B 70 -6.373 27.772 54.417 1.00 26.34 C ATOM 1757 SG CYS B 70 -6.971 29.127 53.433 1.00 32.11 S ATOM 0 H CYS B 70 -5.404 25.242 54.624 1.00 26.34 H new ATOM 0 HA CYS B 70 -7.538 26.405 53.415 1.00 26.64 H new ATOM 0 HB2 CYS B 70 -6.832 27.751 55.271 1.00 26.34 H new ATOM 0 HB3 CYS B 70 -5.428 27.887 54.606 1.00 26.34 H new ATOM 0 HG CYS B 70 -6.450 30.146 53.795 1.00 32.11 H new ATOM 1758 N PHE B 71 -6.453 26.421 51.274 1.00 28.19 N ATOM 1759 CA PHE B 71 -5.844 26.433 49.953 1.00 29.10 C ATOM 1760 C PHE B 71 -5.629 27.864 49.496 1.00 28.53 C ATOM 1761 O PHE B 71 -6.484 28.732 49.709 1.00 28.99 O ATOM 1762 CB PHE B 71 -6.732 25.687 48.961 1.00 27.37 C ATOM 1763 CG PHE B 71 -6.713 24.234 49.169 1.00 27.46 C ATOM 1764 CD1 PHE B 71 -7.479 23.662 50.174 1.00 26.40 C ATOM 1765 CD2 PHE B 71 -5.937 23.416 48.354 1.00 24.65 C ATOM 1766 CE1 PHE B 71 -7.449 22.330 50.392 1.00 25.96 C ATOM 1767 CE2 PHE B 71 -5.911 22.059 48.555 1.00 25.21 C ATOM 1768 CZ PHE B 71 -6.679 21.504 49.568 1.00 24.51 C ATOM 0 H PHE B 71 -7.312 26.398 51.253 1.00 28.19 H new ATOM 0 HA PHE B 71 -4.984 25.986 49.996 1.00 29.10 H new ATOM 0 HB2 PHE B 71 -7.643 26.010 49.041 1.00 27.37 H new ATOM 0 HB3 PHE B 71 -6.439 25.885 48.058 1.00 27.37 H new ATOM 0 HD1 PHE B 71 -8.020 24.202 50.704 1.00 26.40 H new ATOM 0 HD2 PHE B 71 -5.433 23.791 47.669 1.00 24.65 H new ATOM 0 HE1 PHE B 71 -7.941 21.962 51.090 1.00 25.96 H new ATOM 0 HE2 PHE B 71 -5.383 21.516 48.016 1.00 25.21 H new ATOM 0 HZ PHE B 71 -6.682 20.583 49.699 1.00 24.51 H new ATOM 1769 N ASP B 72 -4.458 28.104 48.920 1.00 27.73 N ATOM 1770 CA ASP B 72 -4.078 29.404 48.414 1.00 28.34 C ATOM 1771 C ASP B 72 -3.703 29.206 46.950 1.00 27.84 C ATOM 1772 O ASP B 72 -2.588 28.828 46.624 1.00 27.02 O ATOM 1773 CB ASP B 72 -2.931 29.952 49.264 1.00 28.17 C ATOM 1774 CG ASP B 72 -2.475 31.325 48.847 1.00 30.72 C ATOM 1775 OD1 ASP B 72 -3.212 32.015 48.133 1.00 31.59 O ATOM 1776 OD2 ASP B 72 -1.376 31.725 49.293 1.00 37.09 O ATOM 0 H ASP B 72 -3.854 27.501 48.813 1.00 27.73 H new ATOM 0 HA ASP B 72 -4.793 30.058 48.467 1.00 28.34 H new ATOM 0 HB2 ASP B 72 -3.211 29.980 50.192 1.00 28.17 H new ATOM 0 HB3 ASP B 72 -2.180 29.340 49.213 1.00 28.17 H new ATOM 1777 N ILE B 73 -4.621 29.569 46.062 1.00 27.56 N ATOM 1778 CA ILE B 73 -4.440 29.322 44.633 1.00 26.00 C ATOM 1779 C ILE B 73 -3.342 30.229 44.106 1.00 24.89 C ATOM 1780 O ILE B 73 -3.360 31.442 44.333 1.00 25.80 O ATOM 1781 CB ILE B 73 -5.732 29.534 43.866 1.00 24.41 C ATOM 1782 CG1 ILE B 73 -6.796 28.555 44.355 1.00 26.92 C ATOM 1783 CG2 ILE B 73 -5.493 29.347 42.353 1.00 25.41 C ATOM 1784 CD1 ILE B 73 -8.170 28.947 43.890 1.00 28.13 C ATOM 0 H ILE B 73 -5.359 29.961 46.265 1.00 27.56 H new ATOM 0 HA ILE B 73 -4.182 28.396 44.505 1.00 26.00 H new ATOM 0 HB ILE B 73 -6.042 30.440 44.021 1.00 24.41 H new ATOM 0 HG12 ILE B 73 -6.588 27.664 44.034 1.00 26.92 H new ATOM 0 HG13 ILE B 73 -6.781 28.518 45.324 1.00 26.92 H new ATOM 0 HG21 ILE B 73 -6.325 29.485 41.874 1.00 25.41 H new ATOM 0 HG22 ILE B 73 -4.834 29.990 42.047 1.00 25.41 H new ATOM 0 HG23 ILE B 73 -5.169 28.448 42.185 1.00 25.41 H new ATOM 0 HD11 ILE B 73 -8.818 28.305 44.218 1.00 28.13 H new ATOM 0 HD12 ILE B 73 -8.388 29.829 44.231 1.00 28.13 H new ATOM 0 HD13 ILE B 73 -8.192 28.961 42.920 1.00 28.13 H new ATOM 1785 N GLN B 74 -2.351 29.619 43.460 1.00 25.16 N ATOM 1786 CA GLN B 74 -1.232 30.355 42.870 1.00 24.86 C ATOM 1787 C GLN B 74 -1.460 30.685 41.401 1.00 25.16 C ATOM 1788 O GLN B 74 -1.011 31.710 40.911 1.00 26.88 O ATOM 1789 CB GLN B 74 0.040 29.523 43.012 1.00 23.98 C ATOM 1790 CG GLN B 74 0.361 29.167 44.433 1.00 27.27 C ATOM 1791 CD GLN B 74 0.523 30.404 45.318 1.00 27.02 C ATOM 1792 OE1 GLN B 74 -0.356 30.746 46.125 1.00 28.95 O ATOM 1793 NE2 GLN B 74 1.628 31.088 45.149 1.00 22.63 N ATOM 0 H GLN B 74 -2.307 28.767 43.351 1.00 25.16 H new ATOM 0 HA GLN B 74 -1.150 31.197 43.345 1.00 24.86 H new ATOM 0 HB2 GLN B 74 -0.055 28.708 42.495 1.00 23.98 H new ATOM 0 HB3 GLN B 74 0.785 30.015 42.632 1.00 23.98 H new ATOM 0 HG2 GLN B 74 -0.344 28.606 44.791 1.00 27.27 H new ATOM 0 HG3 GLN B 74 1.178 28.645 44.457 1.00 27.27 H new ATOM 0 HE21 GLN B 74 2.216 30.822 44.581 1.00 22.63 H new ATOM 0 HE22 GLN B 74 1.765 31.803 45.606 1.00 22.63 H new ATOM 1794 N GLY B 75 -2.092 29.779 40.671 1.00 25.28 N ATOM 1795 CA GLY B 75 -2.383 29.995 39.274 1.00 25.20 C ATOM 1796 C GLY B 75 -3.561 29.144 38.847 1.00 24.68 C ATOM 1797 O GLY B 75 -3.865 28.117 39.449 1.00 25.02 O ATOM 0 H GLY B 75 -2.363 29.022 40.976 1.00 25.28 H new ATOM 0 HA2 GLY B 75 -2.579 30.932 39.119 1.00 25.20 H new ATOM 0 HA3 GLY B 75 -1.605 29.776 38.737 1.00 25.20 H new ATOM 1798 N LEU B 76 -4.268 29.648 37.851 1.00 22.40 N ATOM 1799 CA LEU B 76 -5.377 28.950 37.218 1.00 24.28 C ATOM 1800 C LEU B 76 -5.087 29.013 35.734 1.00 24.67 C ATOM 1801 O LEU B 76 -4.963 30.116 35.191 1.00 25.31 O ATOM 1802 CB LEU B 76 -6.672 29.633 37.556 1.00 25.58 C ATOM 1803 CG LEU B 76 -7.104 29.501 39.003 1.00 27.28 C ATOM 1804 CD1 LEU B 76 -8.231 30.496 39.241 1.00 27.24 C ATOM 1805 CD2 LEU B 76 -7.528 28.075 39.324 1.00 28.27 C ATOM 0 H LEU B 76 -4.115 30.424 37.514 1.00 22.40 H new ATOM 0 HA LEU B 76 -5.463 28.032 37.520 1.00 24.28 H new ATOM 0 HB2 LEU B 76 -6.591 30.575 37.341 1.00 25.58 H new ATOM 0 HB3 LEU B 76 -7.371 29.271 36.989 1.00 25.58 H new ATOM 0 HG LEU B 76 -6.363 29.699 39.596 1.00 27.28 H new ATOM 0 HD11 LEU B 76 -8.529 30.434 40.162 1.00 27.24 H new ATOM 0 HD12 LEU B 76 -7.912 31.395 39.065 1.00 27.24 H new ATOM 0 HD13 LEU B 76 -8.972 30.294 38.648 1.00 27.24 H new ATOM 0 HD21 LEU B 76 -7.799 28.019 40.254 1.00 28.27 H new ATOM 0 HD22 LEU B 76 -8.272 27.823 38.755 1.00 28.27 H new ATOM 0 HD23 LEU B 76 -6.784 27.473 39.168 1.00 28.27 H new ATOM 1806 N PHE B 77 -4.939 27.849 35.101 1.00 24.50 N ATOM 1807 CA PHE B 77 -4.550 27.739 33.714 1.00 26.52 C ATOM 1808 C PHE B 77 -5.625 26.977 32.972 1.00 27.09 C ATOM 1809 O PHE B 77 -5.735 25.778 33.097 1.00 28.44 O ATOM 1810 CB PHE B 77 -3.187 27.064 33.621 1.00 26.08 C ATOM 1811 CG PHE B 77 -2.172 27.692 34.527 1.00 26.32 C ATOM 1812 CD1 PHE B 77 -1.454 28.791 34.114 1.00 24.58 C ATOM 1813 CD2 PHE B 77 -1.948 27.199 35.814 1.00 26.57 C ATOM 1814 CE1 PHE B 77 -0.542 29.398 34.945 1.00 25.33 C ATOM 1815 CE2 PHE B 77 -0.993 27.804 36.671 1.00 25.90 C ATOM 1816 CZ PHE B 77 -0.291 28.886 36.233 1.00 27.18 C ATOM 0 H PHE B 77 -5.067 27.089 35.483 1.00 24.50 H new ATOM 0 HA PHE B 77 -4.464 28.614 33.304 1.00 26.52 H new ATOM 0 HB2 PHE B 77 -3.279 26.125 33.845 1.00 26.08 H new ATOM 0 HB3 PHE B 77 -2.870 27.108 32.705 1.00 26.08 H new ATOM 0 HD1 PHE B 77 -1.588 29.129 33.258 1.00 24.58 H new ATOM 0 HD2 PHE B 77 -2.432 26.463 36.114 1.00 26.57 H new ATOM 0 HE1 PHE B 77 -0.086 30.154 34.654 1.00 25.33 H new ATOM 0 HE2 PHE B 77 -0.847 27.465 37.525 1.00 25.90 H new ATOM 0 HZ PHE B 77 0.348 29.283 36.779 1.00 27.18 H new ATOM 1817 N ALA B 78 -6.422 27.719 32.216 1.00 25.95 N ATOM 1818 CA ALA B 78 -7.576 27.189 31.529 1.00 26.70 C ATOM 1819 C ALA B 78 -7.220 26.839 30.117 1.00 27.79 C ATOM 1820 O ALA B 78 -6.664 27.658 29.409 1.00 28.84 O ATOM 1821 CB ALA B 78 -8.686 28.202 31.529 1.00 25.86 C ATOM 0 H ALA B 78 -6.300 28.561 32.089 1.00 25.95 H new ATOM 0 HA ALA B 78 -7.871 26.389 31.992 1.00 26.70 H new ATOM 0 HB1 ALA B 78 -9.457 27.838 31.066 1.00 25.86 H new ATOM 0 HB2 ALA B 78 -8.930 28.415 32.443 1.00 25.86 H new ATOM 0 HB3 ALA B 78 -8.389 29.008 31.078 1.00 25.86 H new ATOM 1822 N ASP B 79 -7.560 25.631 29.704 1.00 26.34 N ATOM 1823 CA ASP B 79 -7.377 25.217 28.343 1.00 26.40 C ATOM 1824 C ASP B 79 -8.522 24.270 28.060 1.00 27.99 C ATOM 1825 O ASP B 79 -8.607 23.206 28.659 1.00 29.41 O ATOM 1826 CB ASP B 79 -6.014 24.564 28.141 1.00 24.95 C ATOM 1827 CG ASP B 79 -5.704 24.272 26.692 1.00 24.35 C ATOM 1828 OD1 ASP B 79 -6.616 24.318 25.844 1.00 29.95 O ATOM 1829 OD2 ASP B 79 -4.512 24.085 26.389 1.00 24.57 O ATOM 0 H ASP B 79 -7.905 25.030 30.214 1.00 26.34 H new ATOM 0 HA ASP B 79 -7.386 25.966 27.727 1.00 26.40 H new ATOM 0 HB2 ASP B 79 -5.327 25.145 28.502 1.00 24.95 H new ATOM 0 HB3 ASP B 79 -5.980 23.737 28.646 1.00 24.95 H new ATOM 1830 N GLY B 80 -9.379 24.679 27.130 1.00 32.10 N ATOM 1831 CA GLY B 80 -10.536 23.908 26.741 1.00 33.45 C ATOM 1832 C GLY B 80 -11.441 23.704 27.936 1.00 32.85 C ATOM 1833 O GLY B 80 -11.770 24.656 28.634 1.00 33.67 O ATOM 0 H GLY B 80 -9.298 25.423 26.706 1.00 32.10 H new ATOM 0 HA2 GLY B 80 -11.018 24.366 26.034 1.00 33.45 H new ATOM 0 HA3 GLY B 80 -10.258 23.050 26.385 1.00 33.45 H new ATOM 1834 N ASP B 81 -11.758 22.447 28.219 1.00 31.73 N ATOM 1835 CA ASP B 81 -12.654 22.105 29.313 1.00 32.71 C ATOM 1836 C ASP B 81 -11.920 21.890 30.629 1.00 30.92 C ATOM 1837 O ASP B 81 -12.548 21.467 31.586 1.00 30.78 O ATOM 1838 CB ASP B 81 -13.517 20.868 28.961 1.00 35.30 C ATOM 1839 CG ASP B 81 -12.719 19.561 28.812 1.00 42.08 C ATOM 1840 OD1 ASP B 81 -11.473 19.566 28.643 1.00 45.56 O ATOM 1841 OD2 ASP B 81 -13.376 18.492 28.832 1.00 56.68 O ATOM 0 H ASP B 81 -11.460 21.769 27.782 1.00 31.73 H new ATOM 0 HA ASP B 81 -13.240 22.868 29.437 1.00 32.71 H new ATOM 0 HB2 ASP B 81 -14.188 20.748 29.651 1.00 35.30 H new ATOM 0 HB3 ASP B 81 -13.990 21.042 28.132 1.00 35.30 H new ATOM 1842 N ALA B 82 -10.620 22.187 30.671 1.00 29.55 N ATOM 1843 CA ALA B 82 -9.794 21.972 31.841 1.00 28.67 C ATOM 1844 C ALA B 82 -9.227 23.286 32.342 1.00 27.73 C ATOM 1845 O ALA B 82 -8.961 24.198 31.557 1.00 25.63 O ATOM 1846 CB ALA B 82 -8.650 21.044 31.499 1.00 27.59 C ATOM 0 H ALA B 82 -10.193 22.525 30.005 1.00 29.55 H new ATOM 0 HA ALA B 82 -10.346 21.577 32.534 1.00 28.67 H new ATOM 0 HB1 ALA B 82 -8.100 20.904 32.286 1.00 27.59 H new ATOM 0 HB2 ALA B 82 -9.003 20.193 31.196 1.00 27.59 H new ATOM 0 HB3 ALA B 82 -8.112 21.439 30.796 1.00 27.59 H new ATOM 1847 N VAL B 83 -9.071 23.358 33.654 1.00 25.53 N ATOM 1848 CA VAL B 83 -8.420 24.459 34.328 1.00 24.54 C ATOM 1849 C VAL B 83 -7.462 23.805 35.314 1.00 25.91 C ATOM 1850 O VAL B 83 -7.879 23.066 36.198 1.00 25.79 O ATOM 1851 CB VAL B 83 -9.379 25.424 35.028 1.00 24.97 C ATOM 1852 CG1 VAL B 83 -8.573 26.579 35.667 1.00 25.61 C ATOM 1853 CG2 VAL B 83 -10.383 26.015 34.038 1.00 25.41 C ATOM 0 H VAL B 83 -9.351 22.747 34.191 1.00 25.53 H new ATOM 0 HA VAL B 83 -7.968 25.025 33.683 1.00 24.54 H new ATOM 0 HB VAL B 83 -9.862 24.930 35.708 1.00 24.97 H new ATOM 0 HG11 VAL B 83 -9.181 27.191 36.111 1.00 25.61 H new ATOM 0 HG12 VAL B 83 -7.948 26.218 36.315 1.00 25.61 H new ATOM 0 HG13 VAL B 83 -8.084 27.053 34.976 1.00 25.61 H new ATOM 0 HG21 VAL B 83 -10.979 26.622 34.504 1.00 25.41 H new ATOM 0 HG22 VAL B 83 -9.908 26.498 33.344 1.00 25.41 H new ATOM 0 HG23 VAL B 83 -10.901 25.300 33.636 1.00 25.41 H new ATOM 1854 N VAL B 84 -6.176 24.075 35.141 1.00 25.54 N ATOM 1855 CA VAL B 84 -5.198 23.574 36.074 1.00 24.65 C ATOM 1856 C VAL B 84 -5.115 24.622 37.174 1.00 24.25 C ATOM 1857 O VAL B 84 -4.979 25.799 36.889 1.00 26.54 O ATOM 1858 CB VAL B 84 -3.829 23.385 35.466 1.00 24.54 C ATOM 1859 CG1 VAL B 84 -2.895 22.720 36.505 1.00 24.68 C ATOM 1860 CG2 VAL B 84 -3.957 22.517 34.202 1.00 25.43 C ATOM 0 H VAL B 84 -5.857 24.543 34.494 1.00 25.54 H new ATOM 0 HA VAL B 84 -5.470 22.698 36.389 1.00 24.65 H new ATOM 0 HB VAL B 84 -3.448 24.242 35.217 1.00 24.54 H new ATOM 0 HG11 VAL B 84 -2.014 22.597 36.117 1.00 24.68 H new ATOM 0 HG12 VAL B 84 -2.826 23.287 37.289 1.00 24.68 H new ATOM 0 HG13 VAL B 84 -3.258 21.858 36.762 1.00 24.68 H new ATOM 0 HG21 VAL B 84 -3.081 22.391 33.806 1.00 25.43 H new ATOM 0 HG22 VAL B 84 -4.331 21.654 34.438 1.00 25.43 H new ATOM 0 HG23 VAL B 84 -4.540 22.958 33.564 1.00 25.43 H new HETATM 1861 N MSE B 85 -5.233 24.159 38.411 1.00 25.48 N HETATM 1862 CA MSE B 85 -5.108 24.976 39.578 1.00 26.94 C HETATM 1863 C MSE B 85 -3.862 24.552 40.307 1.00 25.69 C HETATM 1864 O MSE B 85 -3.720 23.394 40.708 1.00 28.97 O HETATM 1865 CB MSE B 85 -6.292 24.748 40.505 1.00 27.98 C HETATM 1866 CG MSE B 85 -6.255 25.644 41.728 1.00 30.28 C HETATM 1867 SE MSE B 85 -7.764 25.174 42.843 0.75 34.26 SE HETATM 1868 CE MSE B 85 -7.233 23.773 43.486 1.00 28.12 C HETATM 0 H MSE B 85 -5.393 23.333 38.587 1.00 25.48 H new HETATM 0 HA MSE B 85 -5.073 25.910 39.319 1.00 26.94 H new HETATM 0 HB2 MSE B 85 -7.116 24.906 40.017 1.00 27.98 H new HETATM 0 HB3 MSE B 85 -6.303 23.820 40.788 1.00 27.98 H new HETATM 0 HG2 MSE B 85 -5.423 25.525 42.213 1.00 30.28 H new HETATM 0 HG3 MSE B 85 -6.301 26.577 41.468 1.00 30.28 H new HETATM 0 HE1 MSE B 85 -7.908 23.414 44.083 1.00 28.12 H new HETATM 0 HE2 MSE B 85 -7.059 23.136 42.775 1.00 28.12 H new HETATM 0 HE3 MSE B 85 -6.416 23.934 43.983 1.00 28.12 H new ATOM 1869 N THR B 86 -2.960 25.496 40.492 1.00 24.84 N ATOM 1870 CA THR B 86 -1.793 25.293 41.300 1.00 23.45 C ATOM 1871 C THR B 86 -2.097 26.009 42.599 1.00 24.53 C ATOM 1872 O THR B 86 -2.789 27.032 42.622 1.00 24.40 O ATOM 1873 CB THR B 86 -0.524 25.819 40.646 1.00 21.32 C ATOM 1874 OG1 THR B 86 -0.657 27.209 40.359 1.00 25.14 O ATOM 1875 CG2 THR B 86 -0.265 25.039 39.335 1.00 21.43 C ATOM 0 H THR B 86 -3.014 26.281 40.145 1.00 24.84 H new ATOM 0 HA THR B 86 -1.615 24.349 41.433 1.00 23.45 H new ATOM 0 HB THR B 86 0.222 25.696 41.253 1.00 21.32 H new ATOM 0 HG1 THR B 86 0.101 27.538 40.210 1.00 25.14 H new ATOM 0 HG21 THR B 86 0.544 25.372 38.915 1.00 21.43 H new ATOM 0 HG22 THR B 86 -0.161 24.096 39.535 1.00 21.43 H new ATOM 0 HG23 THR B 86 -1.015 25.160 38.732 1.00 21.43 H new ATOM 1876 N TRP B 87 -1.580 25.454 43.680 1.00 25.51 N ATOM 1877 CA TRP B 87 -1.897 25.963 44.981 1.00 24.53 C ATOM 1878 C TRP B 87 -0.880 25.670 46.039 1.00 24.16 C ATOM 1879 O TRP B 87 -0.126 24.708 45.931 1.00 24.40 O ATOM 1880 CB TRP B 87 -3.253 25.403 45.452 1.00 24.37 C ATOM 1881 CG TRP B 87 -3.439 23.956 45.246 1.00 24.05 C ATOM 1882 CD1 TRP B 87 -3.992 23.375 44.153 1.00 25.80 C ATOM 1883 CD2 TRP B 87 -3.092 22.882 46.135 1.00 26.01 C ATOM 1884 NE1 TRP B 87 -4.011 22.019 44.293 1.00 24.22 N ATOM 1885 CE2 TRP B 87 -3.470 21.680 45.501 1.00 27.30 C ATOM 1886 CE3 TRP B 87 -2.497 22.820 47.391 1.00 23.78 C ATOM 1887 CZ2 TRP B 87 -3.306 20.425 46.101 1.00 24.49 C ATOM 1888 CZ3 TRP B 87 -2.322 21.571 47.997 1.00 23.62 C ATOM 1889 CH2 TRP B 87 -2.710 20.384 47.333 1.00 25.20 C ATOM 0 H TRP B 87 -1.044 24.782 43.674 1.00 25.51 H new ATOM 0 HA TRP B 87 -1.919 26.926 44.871 1.00 24.53 H new ATOM 0 HB2 TRP B 87 -3.356 25.597 46.397 1.00 24.37 H new ATOM 0 HB3 TRP B 87 -3.961 25.875 44.987 1.00 24.37 H new ATOM 0 HD1 TRP B 87 -4.313 23.836 43.412 1.00 25.80 H new ATOM 0 HE1 TRP B 87 -4.316 21.464 43.712 1.00 24.22 H new ATOM 0 HE3 TRP B 87 -2.220 23.597 47.821 1.00 23.78 H new ATOM 0 HZ2 TRP B 87 -3.592 19.648 45.678 1.00 24.49 H new ATOM 0 HZ3 TRP B 87 -1.946 21.521 48.846 1.00 23.62 H new ATOM 0 HH2 TRP B 87 -2.558 19.562 47.740 1.00 25.20 H new ATOM 1890 N LEU B 88 -0.878 26.561 47.025 1.00 24.99 N ATOM 1891 CA LEU B 88 -0.183 26.353 48.278 1.00 24.68 C ATOM 1892 C LEU B 88 -1.271 25.995 49.251 1.00 24.67 C ATOM 1893 O LEU B 88 -2.452 26.166 49.008 1.00 22.83 O ATOM 1894 CB LEU B 88 0.574 27.578 48.740 1.00 23.88 C ATOM 1895 CG LEU B 88 1.592 28.093 47.734 1.00 27.22 C ATOM 1896 CD1 LEU B 88 2.336 29.259 48.323 1.00 25.38 C ATOM 1897 CD2 LEU B 88 2.568 27.037 47.189 1.00 27.13 C ATOM 0 H LEU B 88 -1.289 27.315 46.979 1.00 24.99 H new ATOM 0 HA LEU B 88 0.494 25.664 48.194 1.00 24.68 H new ATOM 0 HB2 LEU B 88 -0.061 28.285 48.934 1.00 23.88 H new ATOM 0 HB3 LEU B 88 1.030 27.371 49.570 1.00 23.88 H new ATOM 0 HG LEU B 88 1.081 28.370 46.958 1.00 27.22 H new ATOM 0 HD11 LEU B 88 2.985 29.587 47.681 1.00 25.38 H new ATOM 0 HD12 LEU B 88 1.709 29.967 48.539 1.00 25.38 H new ATOM 0 HD13 LEU B 88 2.794 28.976 49.130 1.00 25.38 H new ATOM 0 HD21 LEU B 88 3.176 27.453 46.558 1.00 27.13 H new ATOM 0 HD22 LEU B 88 3.075 26.655 47.923 1.00 27.13 H new ATOM 0 HD23 LEU B 88 2.069 26.336 46.742 1.00 27.13 H new ATOM 1898 N TRP B 89 -0.849 25.514 50.405 1.00 26.51 N ATOM 1899 CA TRP B 89 -1.774 24.988 51.377 1.00 25.69 C ATOM 1900 C TRP B 89 -1.129 25.081 52.744 1.00 26.81 C ATOM 1901 O TRP B 89 0.077 24.864 52.876 1.00 25.62 O ATOM 1902 CB TRP B 89 -1.997 23.540 51.005 1.00 26.15 C ATOM 1903 CG TRP B 89 -2.870 22.703 51.803 1.00 24.07 C ATOM 1904 CD1 TRP B 89 -4.148 22.409 51.500 1.00 27.58 C ATOM 1905 CD2 TRP B 89 -2.529 21.901 52.943 1.00 21.08 C ATOM 1906 NE1 TRP B 89 -4.650 21.503 52.381 1.00 25.59 N ATOM 1907 CE2 TRP B 89 -3.684 21.191 53.301 1.00 24.11 C ATOM 1908 CE3 TRP B 89 -1.392 21.779 53.747 1.00 23.98 C ATOM 1909 CZ2 TRP B 89 -3.724 20.327 54.402 1.00 24.06 C ATOM 1910 CZ3 TRP B 89 -1.427 20.898 54.826 1.00 25.65 C ATOM 1911 CH2 TRP B 89 -2.583 20.180 55.132 1.00 26.03 C ATOM 0 H TRP B 89 -0.023 25.484 50.643 1.00 26.51 H new ATOM 0 HA TRP B 89 -2.614 25.473 51.393 1.00 25.69 H new ATOM 0 HB2 TRP B 89 -2.339 23.527 50.097 1.00 26.15 H new ATOM 0 HB3 TRP B 89 -1.127 23.111 50.987 1.00 26.15 H new ATOM 0 HD1 TRP B 89 -4.621 22.774 50.788 1.00 27.58 H new ATOM 0 HE1 TRP B 89 -5.446 21.178 52.363 1.00 25.59 H new ATOM 0 HE3 TRP B 89 -0.627 22.276 53.565 1.00 23.98 H new ATOM 0 HZ2 TRP B 89 -4.502 19.870 54.627 1.00 24.06 H new ATOM 0 HZ3 TRP B 89 -0.667 20.787 55.351 1.00 25.65 H new ATOM 0 HH2 TRP B 89 -2.575 19.588 55.850 1.00 26.03 H new ATOM 1912 N ATHR B 90 -1.925 25.444 53.737 0.50 26.47 N ATOM 1913 N BTHR B 90 -1.924 25.469 53.736 0.50 26.77 N ATOM 1914 CA ATHR B 90 -1.452 25.460 55.109 0.50 26.27 C ATOM 1915 CA BTHR B 90 -1.491 25.551 55.129 0.50 26.88 C ATOM 1916 C ATHR B 90 -2.548 24.885 55.980 0.50 25.59 C ATOM 1917 C BTHR B 90 -2.556 24.895 55.985 0.50 25.94 C ATOM 1918 O ATHR B 90 -3.725 25.041 55.670 0.50 24.48 O ATOM 1919 O BTHR B 90 -3.734 25.017 55.669 0.50 24.90 O ATOM 1920 CB ATHR B 90 -1.017 26.867 55.570 0.50 27.26 C ATOM 1921 CB BTHR B 90 -1.317 27.016 55.599 0.50 27.95 C ATOM 1922 OG1ATHR B 90 -0.273 26.741 56.782 0.50 27.17 O ATOM 1923 OG1BTHR B 90 -2.543 27.735 55.414 0.50 30.49 O ATOM 1924 CG2ATHR B 90 -2.210 27.796 55.779 0.50 29.77 C ATOM 1925 CG2BTHR B 90 -0.222 27.707 54.815 0.50 29.30 C ATOM 0 H ATHR B 90 -2.744 25.685 53.637 0.50 26.77 H new ATOM 0 H BTHR B 90 -2.745 25.696 53.617 0.50 26.77 H new ATOM 0 HA ATHR B 90 -0.651 24.917 55.183 0.50 26.88 H new ATOM 0 HA BTHR B 90 -0.632 25.108 55.211 0.50 26.88 H new ATOM 0 HB ATHR B 90 -0.468 27.263 54.875 0.50 27.95 H new ATOM 0 HB BTHR B 90 -1.076 27.004 56.538 0.50 27.95 H new ATOM 0 HG1ATHR B 90 -0.800 26.742 57.436 0.50 30.49 H new ATOM 0 HG1BTHR B 90 -3.063 27.572 56.053 0.50 30.49 H new ATOM 0 HG21ATHR B 90 -1.895 28.667 56.067 0.50 29.30 H new ATOM 0 HG21BTHR B 90 -0.130 28.622 55.125 0.50 29.30 H new ATOM 0 HG22ATHR B 90 -2.698 27.888 54.946 0.50 29.30 H new ATOM 0 HG22BTHR B 90 0.616 27.236 54.945 0.50 29.30 H new ATOM 0 HG23ATHR B 90 -2.796 27.424 56.457 0.50 29.30 H new ATOM 0 HG23BTHR B 90 -0.449 27.707 53.872 0.50 29.30 H new ATOM 1926 N ALA B 91 -2.146 24.225 57.057 1.00 25.47 N ATOM 1927 CA ALA B 91 -3.082 23.631 58.007 1.00 25.57 C ATOM 1928 C ALA B 91 -2.323 23.484 59.296 1.00 24.80 C ATOM 1929 O ALA B 91 -1.099 23.352 59.292 1.00 24.10 O ATOM 1930 CB ALA B 91 -3.558 22.292 57.557 1.00 26.37 C ATOM 0 H AALA B 91 -1.319 24.107 57.261 0.50 25.47 H new ATOM 0 H BALA B 91 -1.318 24.102 57.255 0.50 25.47 H new ATOM 0 HA ALA B 91 -3.868 24.192 58.097 1.00 25.57 H new ATOM 0 HB1 ALA B 91 -4.176 21.931 58.212 1.00 26.37 H new ATOM 0 HB2 ALA B 91 -4.008 22.379 56.702 1.00 26.37 H new ATOM 0 HB3 ALA B 91 -2.800 21.694 57.464 1.00 26.37 H new ATOM 1931 N THR B 92 -3.065 23.517 60.387 1.00 25.07 N ATOM 1932 CA THR B 92 -2.501 23.373 61.703 1.00 24.73 C ATOM 1933 C THR B 92 -2.618 21.891 61.988 1.00 23.87 C ATOM 1934 O THR B 92 -3.677 21.284 61.792 1.00 23.96 O ATOM 1935 CB THR B 92 -3.289 24.158 62.782 1.00 24.73 C ATOM 1936 OG1 THR B 92 -3.513 25.508 62.342 1.00 27.15 O ATOM 1937 CG2 THR B 92 -2.538 24.165 64.084 1.00 26.05 C ATOM 0 H THR B 92 -3.918 23.625 60.380 1.00 25.07 H new ATOM 0 HA THR B 92 -1.595 23.718 61.731 1.00 24.73 H new ATOM 0 HB THR B 92 -4.143 23.720 62.919 1.00 24.73 H new ATOM 0 HG1 THR B 92 -4.336 25.635 62.235 1.00 27.15 H new ATOM 0 HG21 THR B 92 -3.044 24.660 64.747 1.00 26.05 H new ATOM 0 HG22 THR B 92 -2.411 23.253 64.389 1.00 26.05 H new ATOM 0 HG23 THR B 92 -1.674 24.587 63.957 1.00 26.05 H new ATOM 1938 N HIS B 93 -1.531 21.318 62.464 1.00 22.49 N ATOM 1939 CA HIS B 93 -1.531 19.947 62.902 1.00 23.10 C ATOM 1940 C HIS B 93 -2.125 19.919 64.312 1.00 22.95 C ATOM 1941 O HIS B 93 -1.446 19.703 65.290 1.00 21.51 O ATOM 1942 CB HIS B 93 -0.133 19.372 62.788 1.00 24.11 C ATOM 1943 CG HIS B 93 -0.060 17.909 63.073 1.00 25.30 C ATOM 1944 ND1 HIS B 93 1.126 17.277 63.357 1.00 29.43 N ATOM 1945 CD2 HIS B 93 -1.025 16.962 63.152 1.00 23.80 C ATOM 1946 CE1 HIS B 93 0.893 15.993 63.574 1.00 25.37 C ATOM 1947 NE2 HIS B 93 -0.407 15.783 63.488 1.00 25.50 N ATOM 0 H HIS B 93 -0.773 21.716 62.541 1.00 22.49 H new ATOM 0 HA HIS B 93 -2.081 19.375 62.344 1.00 23.10 H new ATOM 0 HB2 HIS B 93 0.203 19.536 61.893 1.00 24.11 H new ATOM 0 HB3 HIS B 93 0.452 19.842 63.402 1.00 24.11 H new ATOM 0 HD1 HIS B 93 1.897 17.656 63.389 1.00 29.43 H new ATOM 0 HD2 HIS B 93 -1.935 17.087 63.006 1.00 23.80 H new ATOM 0 HE1 HIS B 93 1.537 15.347 63.756 1.00 25.37 H new ATOM 0 HE2 HIS B 93 -0.802 15.031 63.621 1.00 25.50 H new ATOM 1948 N LYS B 94 -3.442 20.102 64.369 1.00 25.30 N ATOM 1949 CA LYS B 94 -4.209 20.155 65.608 1.00 29.33 C ATOM 1950 C LYS B 94 -4.872 18.805 65.866 1.00 28.22 C ATOM 1951 O LYS B 94 -5.217 18.530 66.995 1.00 27.55 O ATOM 1952 CB LYS B 94 -5.248 21.300 65.569 1.00 29.66 C ATOM 1953 CG LYS B 94 -6.425 21.057 64.649 1.00 34.99 C ATOM 1954 CD LYS B 94 -7.144 22.346 64.194 1.00 35.50 C ATOM 1955 CE LYS B 94 -8.390 22.014 63.388 1.00 38.51 C ATOM 1956 NZ LYS B 94 -9.331 21.141 64.186 1.00 44.42 N ATOM 0 H LYS B 94 -3.927 20.202 63.666 1.00 25.30 H new ATOM 0 HA LYS B 94 -3.605 20.343 66.343 1.00 29.33 H new ATOM 0 HB2 LYS B 94 -5.581 21.448 66.468 1.00 29.66 H new ATOM 0 HB3 LYS B 94 -4.801 22.116 65.294 1.00 29.66 H new ATOM 0 HG2 LYS B 94 -6.117 20.576 63.865 1.00 34.99 H new ATOM 0 HG3 LYS B 94 -7.064 20.484 65.101 1.00 34.99 H new ATOM 0 HD2 LYS B 94 -7.387 22.877 64.969 1.00 35.50 H new ATOM 0 HD3 LYS B 94 -6.542 22.885 63.658 1.00 35.50 H new ATOM 0 HE2 LYS B 94 -8.842 22.833 63.132 1.00 38.51 H new ATOM 0 HE3 LYS B 94 -8.138 21.560 62.568 1.00 38.51 H new ATOM 0 HZ1 LYS B 94 -10.132 21.136 63.798 1.00 44.42 H new ATOM 0 HZ2 LYS B 94 -9.012 20.311 64.217 1.00 44.42 H new ATOM 0 HZ3 LYS B 94 -9.404 21.462 65.013 1.00 44.42 H new ATOM 1957 N GLU B 95 -5.073 17.984 64.830 1.00 28.64 N ATOM 1958 CA GLU B 95 -5.674 16.663 64.982 1.00 29.63 C ATOM 1959 C GLU B 95 -4.595 15.603 65.027 1.00 30.43 C ATOM 1960 O GLU B 95 -3.496 15.801 64.524 1.00 30.11 O ATOM 1961 CB GLU B 95 -6.602 16.356 63.806 1.00 30.12 C ATOM 1962 CG GLU B 95 -7.759 17.319 63.637 1.00 33.72 C ATOM 1963 CD GLU B 95 -8.634 17.415 64.866 1.00 36.50 C ATOM 1964 OE1 GLU B 95 -8.829 16.390 65.559 1.00 40.28 O ATOM 1965 OE2 GLU B 95 -9.096 18.536 65.161 1.00 45.58 O ATOM 0 H GLU B 95 -4.863 18.182 64.020 1.00 28.64 H new ATOM 0 HA GLU B 95 -6.182 16.659 65.809 1.00 29.63 H new ATOM 0 HB2 GLU B 95 -6.078 16.354 62.990 1.00 30.12 H new ATOM 0 HB3 GLU B 95 -6.957 15.460 63.917 1.00 30.12 H new ATOM 0 HG2 GLU B 95 -7.412 18.199 63.424 1.00 33.72 H new ATOM 0 HG3 GLU B 95 -8.300 17.037 62.883 1.00 33.72 H new ATOM 1966 N ASP B 96 -4.901 14.481 65.669 1.00 29.18 N ATOM 1967 CA ASP B 96 -3.995 13.351 65.660 1.00 29.07 C ATOM 1968 C ASP B 96 -4.254 12.679 64.333 1.00 29.44 C ATOM 1969 O ASP B 96 -5.397 12.328 64.038 1.00 31.38 O ATOM 1970 CB ASP B 96 -4.306 12.386 66.795 1.00 28.74 C ATOM 1971 CG ASP B 96 -4.061 12.989 68.150 1.00 28.84 C ATOM 1972 OD1 ASP B 96 -3.130 13.811 68.316 1.00 28.79 O ATOM 1973 OD2 ASP B 96 -4.798 12.609 69.070 1.00 35.24 O ATOM 0 H ASP B 96 -5.627 14.358 66.113 1.00 29.18 H new ATOM 0 HA ASP B 96 -3.072 13.626 65.777 1.00 29.07 H new ATOM 0 HB2 ASP B 96 -5.233 12.106 66.732 1.00 28.74 H new ATOM 0 HB3 ASP B 96 -3.762 11.589 66.696 1.00 28.74 H new ATOM 1974 N ILE B 97 -3.210 12.516 63.529 1.00 27.83 N ATOM 1975 CA ILE B 97 -3.339 11.864 62.235 1.00 27.53 C ATOM 1976 C ILE B 97 -2.541 10.559 62.305 1.00 25.33 C ATOM 1977 O ILE B 97 -1.704 10.422 63.195 1.00 23.88 O ATOM 1978 CB ILE B 97 -2.964 12.814 61.087 1.00 29.39 C ATOM 1979 CG1 ILE B 97 -1.471 13.139 61.078 1.00 28.20 C ATOM 1980 CG2 ILE B 97 -3.794 14.094 61.187 1.00 28.33 C ATOM 1981 CD1 ILE B 97 -1.107 14.027 59.925 1.00 29.74 C ATOM 0 H ILE B 97 -2.413 12.778 63.717 1.00 27.83 H new ATOM 0 HA ILE B 97 -4.259 11.633 62.032 1.00 27.53 H new ATOM 0 HB ILE B 97 -3.161 12.366 60.250 1.00 29.39 H new ATOM 0 HG12 ILE B 97 -1.228 13.573 61.911 1.00 28.20 H new ATOM 0 HG13 ILE B 97 -0.960 12.316 61.028 1.00 28.20 H new ATOM 0 HG21 ILE B 97 -3.556 14.692 60.461 1.00 28.33 H new ATOM 0 HG22 ILE B 97 -4.737 13.874 61.128 1.00 28.33 H new ATOM 0 HG23 ILE B 97 -3.617 14.529 62.036 1.00 28.33 H new ATOM 0 HD11 ILE B 97 -0.155 14.214 59.948 1.00 29.74 H new ATOM 0 HD12 ILE B 97 -1.329 13.583 59.092 1.00 29.74 H new ATOM 0 HD13 ILE B 97 -1.601 14.859 59.989 1.00 29.74 H new ATOM 1982 N PRO B 98 -2.800 9.602 61.388 1.00 25.08 N ATOM 1983 CA PRO B 98 -2.131 8.308 61.533 1.00 25.19 C ATOM 1984 C PRO B 98 -0.608 8.458 61.589 1.00 24.13 C ATOM 1985 O PRO B 98 -0.030 9.131 60.744 1.00 25.71 O ATOM 1986 CB PRO B 98 -2.603 7.515 60.307 1.00 26.70 C ATOM 1987 CG PRO B 98 -3.843 8.201 59.849 1.00 26.13 C ATOM 1988 CD PRO B 98 -3.657 9.639 60.190 1.00 26.19 C ATOM 0 HA PRO B 98 -2.353 7.859 62.364 1.00 25.19 H new ATOM 0 HB2 PRO B 98 -1.927 7.512 59.611 1.00 26.70 H new ATOM 0 HB3 PRO B 98 -2.779 6.589 60.536 1.00 26.70 H new ATOM 0 HG2 PRO B 98 -3.974 8.083 58.895 1.00 26.13 H new ATOM 0 HG3 PRO B 98 -4.626 7.837 60.290 1.00 26.13 H new ATOM 0 HD2 PRO B 98 -3.236 10.126 59.465 1.00 26.19 H new ATOM 0 HD3 PRO B 98 -4.504 10.076 60.371 1.00 26.19 H new ATOM 1989 N GLY B 99 -0.018 7.918 62.642 1.00 23.78 N ATOM 1990 CA GLY B 99 1.419 7.994 62.885 1.00 24.43 C ATOM 1991 C GLY B 99 1.913 9.287 63.495 1.00 23.75 C ATOM 1992 O GLY B 99 3.029 9.320 63.980 1.00 24.87 O ATOM 0 H GLY B 99 -0.447 7.487 63.250 1.00 23.78 H new ATOM 0 HA2 GLY B 99 1.671 7.262 63.470 1.00 24.43 H new ATOM 0 HA3 GLY B 99 1.881 7.855 62.043 1.00 24.43 H new ATOM 1993 N PHE B 100 1.086 10.329 63.527 1.00 24.38 N ATOM 1994 CA PHE B 100 1.517 11.647 63.950 1.00 24.58 C ATOM 1995 C PHE B 100 0.501 12.353 64.848 1.00 25.87 C ATOM 1996 O PHE B 100 -0.371 13.070 64.351 1.00 24.51 O ATOM 1997 CB PHE B 100 1.815 12.484 62.711 1.00 25.09 C ATOM 1998 CG PHE B 100 2.911 11.933 61.872 1.00 20.18 C ATOM 1999 CD1 PHE B 100 4.225 12.042 62.304 1.00 22.27 C ATOM 2000 CD2 PHE B 100 2.641 11.279 60.660 1.00 23.26 C ATOM 2001 CE1 PHE B 100 5.267 11.542 61.536 1.00 27.11 C ATOM 2002 CE2 PHE B 100 3.677 10.775 59.891 1.00 24.62 C ATOM 2003 CZ PHE B 100 4.997 10.904 60.335 1.00 25.02 C ATOM 0 H PHE B 100 0.257 10.286 63.302 1.00 24.38 H new ATOM 0 HA PHE B 100 2.316 11.541 64.489 1.00 24.58 H new ATOM 0 HB2 PHE B 100 1.010 12.552 62.174 1.00 25.09 H new ATOM 0 HB3 PHE B 100 2.050 13.384 62.986 1.00 25.09 H new ATOM 0 HD1 PHE B 100 4.409 12.455 63.117 1.00 22.27 H new ATOM 0 HD2 PHE B 100 1.762 11.184 60.372 1.00 23.26 H new ATOM 0 HE1 PHE B 100 6.146 11.635 61.827 1.00 27.11 H new ATOM 0 HE2 PHE B 100 3.496 10.352 59.083 1.00 24.62 H new ATOM 0 HZ PHE B 100 5.694 10.561 59.824 1.00 25.02 H new ATOM 2004 N PRO B 101 0.638 12.185 66.174 1.00 27.06 N ATOM 2005 CA PRO B 101 -0.207 12.935 67.112 1.00 27.60 C ATOM 2006 C PRO B 101 -0.033 14.446 66.901 1.00 27.60 C ATOM 2007 O PRO B 101 1.042 14.885 66.465 1.00 25.98 O ATOM 2008 CB PRO B 101 0.305 12.494 68.487 1.00 28.95 C ATOM 2009 CG PRO B 101 0.962 11.190 68.240 1.00 26.81 C ATOM 2010 CD PRO B 101 1.578 11.305 66.892 1.00 26.04 C ATOM 0 HA PRO B 101 -1.155 12.763 67.000 1.00 27.60 H new ATOM 0 HB2 PRO B 101 0.929 13.139 68.855 1.00 28.95 H new ATOM 0 HB3 PRO B 101 -0.422 12.408 69.123 1.00 28.95 H new ATOM 0 HG2 PRO B 101 1.632 11.003 68.916 1.00 26.81 H new ATOM 0 HG3 PRO B 101 0.319 10.464 68.270 1.00 26.81 H new ATOM 0 HD2 PRO B 101 2.468 11.688 66.935 1.00 26.04 H new ATOM 0 HD3 PRO B 101 1.662 10.440 66.460 1.00 26.04 H new ATOM 2011 N SER B 102 -1.084 15.209 67.199 1.00 26.92 N ATOM 2012 CA SER B 102 -1.093 16.662 66.994 1.00 28.16 C ATOM 2013 C SER B 102 0.101 17.346 67.660 1.00 26.29 C ATOM 2014 O SER B 102 0.545 16.939 68.739 1.00 26.16 O ATOM 2015 CB SER B 102 -2.370 17.287 67.561 1.00 29.22 C ATOM 2016 OG SER B 102 -2.370 17.200 68.963 1.00 33.14 O ATOM 0 H SER B 102 -1.816 14.899 67.527 1.00 26.92 H new ATOM 0 HA SER B 102 -1.045 16.798 66.035 1.00 28.16 H new ATOM 0 HB2 SER B 102 -2.433 18.216 67.288 1.00 29.22 H new ATOM 0 HB3 SER B 102 -3.148 16.832 67.202 1.00 29.22 H new ATOM 0 HG SER B 102 -3.073 17.546 69.265 1.00 33.14 H new ATOM 2017 N THR B 103 0.665 18.315 66.958 1.00 24.96 N ATOM 2018 CA THR B 103 1.764 19.134 67.455 1.00 27.57 C ATOM 2019 C THR B 103 1.425 20.616 67.541 1.00 27.77 C ATOM 2020 O THR B 103 2.184 21.356 68.156 1.00 27.46 O ATOM 2021 CB THR B 103 2.978 19.008 66.535 1.00 27.35 C ATOM 2022 OG1 THR B 103 2.674 19.585 65.256 1.00 27.36 O ATOM 2023 CG2 THR B 103 3.371 17.541 66.383 1.00 27.72 C ATOM 0 H THR B 103 0.416 18.522 66.161 1.00 24.96 H new ATOM 0 HA THR B 103 1.948 18.802 68.348 1.00 27.57 H new ATOM 0 HB THR B 103 3.727 19.485 66.924 1.00 27.35 H new ATOM 0 HG1 THR B 103 2.990 19.100 64.647 1.00 27.36 H new ATOM 0 HG21 THR B 103 4.142 17.471 65.798 1.00 27.72 H new ATOM 0 HG22 THR B 103 3.592 17.173 67.253 1.00 27.72 H new ATOM 0 HG23 THR B 103 2.630 17.045 66.001 1.00 27.72 H new ATOM 2024 N GLY B 104 0.333 21.038 66.902 1.00 26.55 N ATOM 2025 CA GLY B 104 -0.016 22.450 66.783 1.00 27.82 C ATOM 2026 C GLY B 104 0.808 23.182 65.744 1.00 27.62 C ATOM 2027 O GLY B 104 0.589 24.380 65.527 1.00 28.42 O ATOM 0 H GLY B 104 -0.228 20.508 66.524 1.00 26.55 H new ATOM 0 HA2 GLY B 104 -0.956 22.527 66.555 1.00 27.82 H new ATOM 0 HA3 GLY B 104 0.103 22.880 67.644 1.00 27.82 H new ATOM 2028 N LYS B 105 1.717 22.483 65.051 1.00 26.82 N ATOM 2029 CA LYS B 105 2.572 23.127 64.082 1.00 27.89 C ATOM 2030 C LYS B 105 1.828 23.316 62.787 1.00 27.03 C ATOM 2031 O LYS B 105 0.856 22.599 62.523 1.00 24.96 O ATOM 2032 CB LYS B 105 3.857 22.343 63.870 1.00 30.24 C ATOM 2033 CG LYS B 105 4.663 22.300 65.135 1.00 34.47 C ATOM 2034 CD LYS B 105 6.029 21.720 64.934 1.00 42.70 C ATOM 2035 CE LYS B 105 6.866 21.888 66.195 1.00 49.50 C ATOM 2036 NZ LYS B 105 7.215 23.307 66.517 1.00 52.66 N ATOM 0 H LYS B 105 1.844 21.637 65.136 1.00 26.82 H new ATOM 0 HA LYS B 105 2.823 23.999 64.425 1.00 27.89 H new ATOM 0 HB2 LYS B 105 3.648 21.440 63.583 1.00 30.24 H new ATOM 0 HB3 LYS B 105 4.379 22.752 63.162 1.00 30.24 H new ATOM 0 HG2 LYS B 105 4.747 23.199 65.491 1.00 34.47 H new ATOM 0 HG3 LYS B 105 4.188 21.776 65.798 1.00 34.47 H new ATOM 0 HD2 LYS B 105 5.958 20.779 64.709 1.00 42.70 H new ATOM 0 HD3 LYS B 105 6.466 22.158 64.187 1.00 42.70 H new ATOM 0 HE2 LYS B 105 6.383 21.507 66.945 1.00 49.50 H new ATOM 0 HE3 LYS B 105 7.686 21.378 66.097 1.00 49.50 H new ATOM 0 HZ1 LYS B 105 7.849 23.323 67.142 1.00 52.66 H new ATOM 0 HZ2 LYS B 105 7.512 23.714 65.783 1.00 52.66 H new ATOM 0 HZ3 LYS B 105 6.492 23.730 66.818 1.00 52.66 H new ATOM 2037 N GLN B 106 2.270 24.303 62.010 1.00 28.01 N ATOM 2038 CA GLN B 106 1.703 24.568 60.716 1.00 29.91 C ATOM 2039 C GLN B 106 2.330 23.597 59.758 1.00 29.82 C ATOM 2040 O GLN B 106 3.550 23.413 59.783 1.00 31.32 O ATOM 2041 CB GLN B 106 2.000 25.981 60.195 1.00 33.44 C ATOM 2042 CG GLN B 106 1.111 27.067 60.719 1.00 38.76 C ATOM 2043 CD GLN B 106 -0.353 26.764 60.504 1.00 42.01 C ATOM 2044 OE1 GLN B 106 -0.781 26.531 59.372 1.00 47.93 O ATOM 2045 NE2 GLN B 106 -1.126 26.724 61.588 1.00 42.03 N ATOM 0 H GLN B 106 2.910 24.833 62.230 1.00 28.01 H new ATOM 0 HA GLN B 106 0.740 24.482 60.790 1.00 29.91 H new ATOM 0 HB2 GLN B 106 2.918 26.203 60.415 1.00 33.44 H new ATOM 0 HB3 GLN B 106 1.935 25.971 59.227 1.00 33.44 H new ATOM 0 HG2 GLN B 106 1.278 27.189 61.667 1.00 38.76 H new ATOM 0 HG3 GLN B 106 1.334 27.904 60.281 1.00 38.76 H new ATOM 0 HE21 GLN B 106 -0.791 26.893 62.362 1.00 42.03 H new ATOM 0 HE22 GLN B 106 -1.960 26.529 61.514 1.00 42.03 H new ATOM 2046 N ILE B 107 1.490 22.947 58.971 1.00 27.40 N ATOM 2047 CA ILE B 107 1.932 22.028 57.938 1.00 26.81 C ATOM 2048 C ILE B 107 1.677 22.778 56.644 1.00 26.61 C ATOM 2049 O ILE B 107 0.593 23.332 56.447 1.00 27.31 O ATOM 2050 CB ILE B 107 1.180 20.706 57.949 1.00 25.72 C ATOM 2051 CG1 ILE B 107 1.369 19.985 59.282 1.00 28.33 C ATOM 2052 CG2 ILE B 107 1.618 19.808 56.790 1.00 23.96 C ATOM 2053 CD1 ILE B 107 2.793 19.715 59.653 1.00 26.07 C ATOM 0 H ILE B 107 0.635 23.028 59.022 1.00 27.40 H new ATOM 0 HA ILE B 107 2.861 21.780 58.067 1.00 26.81 H new ATOM 0 HB ILE B 107 0.237 20.904 57.836 1.00 25.72 H new ATOM 0 HG12 ILE B 107 0.960 20.516 59.983 1.00 28.33 H new ATOM 0 HG13 ILE B 107 0.891 19.142 59.250 1.00 28.33 H new ATOM 0 HG21 ILE B 107 1.124 18.974 56.822 1.00 23.96 H new ATOM 0 HG22 ILE B 107 1.441 20.256 55.948 1.00 23.96 H new ATOM 0 HG23 ILE B 107 2.567 19.623 56.864 1.00 23.96 H new ATOM 0 HD11 ILE B 107 2.824 19.257 60.508 1.00 26.07 H new ATOM 0 HD12 ILE B 107 3.205 19.158 58.974 1.00 26.07 H new ATOM 0 HD13 ILE B 107 3.275 20.554 59.719 1.00 26.07 H new ATOM 2054 N LYS B 108 2.673 22.788 55.768 1.00 26.31 N ATOM 2055 CA LYS B 108 2.562 23.446 54.468 1.00 27.08 C ATOM 2056 C LYS B 108 2.605 22.380 53.381 1.00 26.84 C ATOM 2057 O LYS B 108 3.315 21.396 53.496 1.00 25.72 O ATOM 2058 CB LYS B 108 3.705 24.427 54.261 1.00 26.75 C ATOM 2059 CG LYS B 108 3.649 25.639 55.181 1.00 30.69 C ATOM 2060 CD LYS B 108 4.901 26.471 54.978 1.00 32.48 C ATOM 2061 CE LYS B 108 5.025 27.569 56.017 1.00 43.39 C ATOM 2062 NZ LYS B 108 6.311 28.324 55.845 1.00 49.02 N ATOM 0 H LYS B 108 3.434 22.414 55.908 1.00 26.31 H new ATOM 0 HA LYS B 108 1.727 23.938 54.429 1.00 27.08 H new ATOM 0 HB2 LYS B 108 4.546 23.964 54.400 1.00 26.75 H new ATOM 0 HB3 LYS B 108 3.697 24.730 53.340 1.00 26.75 H new ATOM 0 HG2 LYS B 108 2.860 26.169 54.989 1.00 30.69 H new ATOM 0 HG3 LYS B 108 3.582 25.355 56.106 1.00 30.69 H new ATOM 0 HD2 LYS B 108 5.681 25.896 55.021 1.00 32.48 H new ATOM 0 HD3 LYS B 108 4.887 26.865 54.092 1.00 32.48 H new ATOM 0 HE2 LYS B 108 4.275 28.179 55.940 1.00 43.39 H new ATOM 0 HE3 LYS B 108 4.988 27.184 56.906 1.00 43.39 H new ATOM 0 HZ1 LYS B 108 6.365 28.963 56.462 1.00 49.02 H new ATOM 0 HZ2 LYS B 108 6.998 27.765 55.935 1.00 49.02 H new ATOM 0 HZ3 LYS B 108 6.333 28.692 55.035 1.00 49.02 H new HETATM 2063 N MSE B 109 1.861 22.613 52.313 1.00 27.22 N HETATM 2064 CA MSE B 109 1.829 21.726 51.164 1.00 27.76 C HETATM 2065 C MSE B 109 1.602 22.591 49.939 1.00 27.34 C HETATM 2066 O MSE B 109 1.308 23.783 50.035 1.00 25.20 O HETATM 2067 CB MSE B 109 0.683 20.731 51.310 1.00 27.39 C HETATM 2068 CG MSE B 109 0.517 19.747 50.194 1.00 36.57 C HETATM 2069 SE MSE B 109 -0.618 18.354 50.671 0.75 31.88 SE HETATM 2070 CE MSE B 109 -2.355 19.042 50.550 1.00 35.40 C HETATM 0 H MSE B 109 1.352 23.302 52.234 1.00 27.22 H new HETATM 0 HA MSE B 109 2.658 21.228 51.089 1.00 27.76 H new HETATM 0 HB2 MSE B 109 0.811 20.238 52.135 1.00 27.39 H new HETATM 0 HB3 MSE B 109 -0.144 21.230 51.403 1.00 27.39 H new HETATM 0 HG2 MSE B 109 0.163 20.200 49.412 1.00 36.57 H new HETATM 0 HG3 MSE B 109 1.384 19.389 49.946 1.00 36.57 H new HETATM 0 HE1 MSE B 109 -2.994 18.353 50.790 1.00 35.40 H new HETATM 0 HE2 MSE B 109 -2.448 19.794 51.156 1.00 35.40 H new HETATM 0 HE3 MSE B 109 -2.524 19.337 49.641 1.00 35.40 H new ATOM 2071 N SER B 110 1.821 21.975 48.788 1.00 25.70 N ATOM 2072 CA SER B 110 1.510 22.594 47.522 1.00 23.46 C ATOM 2073 C SER B 110 1.075 21.488 46.597 1.00 22.12 C ATOM 2074 O SER B 110 1.244 20.309 46.895 1.00 23.23 O ATOM 2075 CB SER B 110 2.705 23.355 46.989 1.00 26.67 C ATOM 2076 OG SER B 110 3.796 22.481 46.764 1.00 24.16 O ATOM 0 H SER B 110 2.155 21.185 48.723 1.00 25.70 H new ATOM 0 HA SER B 110 0.800 23.249 47.610 1.00 23.46 H new ATOM 0 HB2 SER B 110 2.467 23.802 46.162 1.00 26.67 H new ATOM 0 HB3 SER B 110 2.962 24.045 47.620 1.00 26.67 H new ATOM 0 HG SER B 110 4.152 22.282 47.498 1.00 24.16 H new ATOM 2077 N GLY B 111 0.418 21.874 45.527 1.00 21.45 N ATOM 2078 CA GLY B 111 -0.086 20.907 44.597 1.00 22.51 C ATOM 2079 C GLY B 111 -0.572 21.515 43.314 1.00 24.71 C ATOM 2080 O GLY B 111 -0.645 22.720 43.205 1.00 24.82 O ATOM 0 H GLY B 111 0.255 22.693 45.324 1.00 21.45 H new ATOM 0 HA2 GLY B 111 0.612 20.264 44.399 1.00 22.51 H new ATOM 0 HA3 GLY B 111 -0.813 20.417 45.012 1.00 22.51 H new ATOM 2081 N ALA B 112 -0.858 20.637 42.356 1.00 24.57 N ATOM 2082 CA ALA B 112 -1.372 21.044 41.053 1.00 24.98 C ATOM 2083 C ALA B 112 -2.566 20.148 40.828 1.00 25.57 C ATOM 2084 O ALA B 112 -2.468 18.956 41.012 1.00 25.51 O ATOM 2085 CB ALA B 112 -0.335 20.835 39.969 1.00 26.99 C ATOM 0 H ALA B 112 -0.759 19.787 42.444 1.00 24.57 H new ATOM 0 HA ALA B 112 -1.601 21.986 41.026 1.00 24.98 H new ATOM 0 HB1 ALA B 112 -0.700 21.112 39.114 1.00 26.99 H new ATOM 0 HB2 ALA B 112 0.454 21.362 40.170 1.00 26.99 H new ATOM 0 HB3 ALA B 112 -0.094 19.896 39.928 1.00 26.99 H new ATOM 2086 N THR B 113 -3.682 20.723 40.420 1.00 26.89 N ATOM 2087 CA THR B 113 -4.922 19.976 40.259 1.00 26.09 C ATOM 2088 C THR B 113 -5.546 20.383 38.943 1.00 25.87 C ATOM 2089 O THR B 113 -5.884 21.531 38.779 1.00 27.88 O ATOM 2090 CB THR B 113 -5.885 20.319 41.376 1.00 27.98 C ATOM 2091 OG1 THR B 113 -5.243 20.114 42.629 1.00 27.13 O ATOM 2092 CG2 THR B 113 -7.132 19.417 41.292 1.00 25.14 C ATOM 0 H THR B 113 -3.746 21.559 40.227 1.00 26.89 H new ATOM 0 HA THR B 113 -4.736 19.024 40.280 1.00 26.09 H new ATOM 0 HB THR B 113 -6.155 21.247 41.290 1.00 27.98 H new ATOM 0 HG1 THR B 113 -5.382 19.328 42.890 1.00 27.13 H new ATOM 0 HG21 THR B 113 -7.744 19.643 42.010 1.00 25.14 H new ATOM 0 HG22 THR B 113 -7.572 19.552 40.438 1.00 25.14 H new ATOM 0 HG23 THR B 113 -6.866 18.488 41.374 1.00 25.14 H new ATOM 2093 N VAL B 114 -5.660 19.444 38.009 1.00 25.66 N ATOM 2094 CA VAL B 114 -6.301 19.681 36.739 1.00 24.50 C ATOM 2095 C VAL B 114 -7.754 19.368 37.008 1.00 24.36 C ATOM 2096 O VAL B 114 -8.070 18.258 37.386 1.00 27.47 O ATOM 2097 CB VAL B 114 -5.805 18.773 35.617 1.00 21.96 C ATOM 2098 CG1 VAL B 114 -6.427 19.218 34.293 1.00 22.48 C ATOM 2099 CG2 VAL B 114 -4.257 18.838 35.532 1.00 24.04 C ATOM 0 H VAL B 114 -5.361 18.643 38.104 1.00 25.66 H new ATOM 0 HA VAL B 114 -6.121 20.585 36.436 1.00 24.50 H new ATOM 0 HB VAL B 114 -6.067 17.857 35.800 1.00 21.96 H new ATOM 0 HG11 VAL B 114 -6.113 18.642 33.578 1.00 22.48 H new ATOM 0 HG12 VAL B 114 -7.393 19.160 34.354 1.00 22.48 H new ATOM 0 HG13 VAL B 114 -6.170 20.134 34.106 1.00 22.48 H new ATOM 0 HG21 VAL B 114 -3.947 18.259 34.818 1.00 24.04 H new ATOM 0 HG22 VAL B 114 -3.981 19.750 35.351 1.00 24.04 H new ATOM 0 HG23 VAL B 114 -3.874 18.545 36.374 1.00 24.04 H new ATOM 2100 N TYR B 115 -8.600 20.361 36.837 1.00 24.66 N ATOM 2101 CA TYR B 115 -10.027 20.220 37.031 1.00 24.87 C ATOM 2102 C TYR B 115 -10.659 20.195 35.678 1.00 25.87 C ATOM 2103 O TYR B 115 -10.298 20.988 34.816 1.00 25.86 O ATOM 2104 CB TYR B 115 -10.587 21.382 37.838 1.00 26.02 C ATOM 2105 CG TYR B 115 -10.486 21.156 39.322 1.00 25.59 C ATOM 2106 CD1 TYR B 115 -11.198 20.123 39.908 1.00 27.19 C ATOM 2107 CD2 TYR B 115 -9.731 21.989 40.151 1.00 27.81 C ATOM 2108 CE1 TYR B 115 -11.143 19.886 41.236 1.00 28.09 C ATOM 2109 CE2 TYR B 115 -9.694 21.765 41.536 1.00 29.60 C ATOM 2110 CZ TYR B 115 -10.416 20.710 42.060 1.00 30.08 C ATOM 2111 OH TYR B 115 -10.462 20.429 43.399 1.00 30.52 O ATOM 0 H TYR B 115 -8.358 21.152 36.600 1.00 24.66 H new ATOM 0 HA TYR B 115 -10.215 19.405 37.523 1.00 24.87 H new ATOM 0 HB2 TYR B 115 -10.110 22.194 37.604 1.00 26.02 H new ATOM 0 HB3 TYR B 115 -11.517 21.520 37.598 1.00 26.02 H new ATOM 0 HD1 TYR B 115 -11.728 19.578 39.373 1.00 27.19 H new ATOM 0 HD2 TYR B 115 -9.251 22.695 39.783 1.00 27.81 H new ATOM 0 HE1 TYR B 115 -11.600 19.160 41.595 1.00 28.09 H new ATOM 0 HE2 TYR B 115 -9.192 22.317 42.091 1.00 29.60 H new ATOM 0 HH TYR B 115 -11.218 20.632 43.702 1.00 30.52 H new ATOM 2112 N TYR B 116 -11.620 19.298 35.508 1.00 25.62 N ATOM 2113 CA TYR B 116 -12.333 19.185 34.264 1.00 25.05 C ATOM 2114 C TYR B 116 -13.734 19.622 34.498 1.00 26.47 C ATOM 2115 O TYR B 116 -14.305 19.267 35.510 1.00 25.61 O ATOM 2116 CB TYR B 116 -12.286 17.773 33.757 1.00 27.73 C ATOM 2117 CG TYR B 116 -10.923 17.422 33.303 1.00 25.97 C ATOM 2118 CD1 TYR B 116 -10.544 17.684 31.983 1.00 30.68 C ATOM 2119 CD2 TYR B 116 -10.016 16.817 34.155 1.00 29.25 C ATOM 2120 CE1 TYR B 116 -9.290 17.361 31.527 1.00 31.36 C ATOM 2121 CE2 TYR B 116 -8.745 16.509 33.706 1.00 30.45 C ATOM 2122 CZ TYR B 116 -8.404 16.779 32.386 1.00 29.93 C ATOM 2123 OH TYR B 116 -7.166 16.470 31.903 1.00 33.92 O ATOM 0 H TYR B 116 -11.871 18.742 36.114 1.00 25.62 H new ATOM 0 HA TYR B 116 -11.922 19.746 33.588 1.00 25.05 H new ATOM 0 HB2 TYR B 116 -12.564 17.164 34.459 1.00 27.73 H new ATOM 0 HB3 TYR B 116 -12.913 17.667 33.024 1.00 27.73 H new ATOM 0 HD1 TYR B 116 -11.152 18.084 31.404 1.00 30.68 H new ATOM 0 HD2 TYR B 116 -10.261 16.618 35.030 1.00 29.25 H new ATOM 0 HE1 TYR B 116 -9.048 17.536 30.646 1.00 31.36 H new ATOM 0 HE2 TYR B 116 -8.124 16.125 34.282 1.00 30.45 H new ATOM 0 HH TYR B 116 -7.159 16.564 31.068 1.00 33.92 H new ATOM 2124 N PHE B 117 -14.237 20.430 33.569 1.00 25.46 N ATOM 2125 CA PHE B 117 -15.577 20.957 33.645 1.00 26.73 C ATOM 2126 C PHE B 117 -16.491 20.335 32.622 1.00 27.48 C ATOM 2127 O PHE B 117 -16.064 19.932 31.533 1.00 29.10 O ATOM 2128 CB PHE B 117 -15.593 22.457 33.373 1.00 27.54 C ATOM 2129 CG PHE B 117 -15.146 23.299 34.526 1.00 24.35 C ATOM 2130 CD1 PHE B 117 -13.798 23.505 34.777 1.00 29.97 C ATOM 2131 CD2 PHE B 117 -16.075 23.937 35.323 1.00 25.15 C ATOM 2132 CE1 PHE B 117 -13.397 24.318 35.840 1.00 27.38 C ATOM 2133 CE2 PHE B 117 -15.682 24.746 36.378 1.00 29.21 C ATOM 2134 CZ PHE B 117 -14.347 24.932 36.633 1.00 31.27 C ATOM 0 H PHE B 117 -13.799 20.685 32.874 1.00 25.46 H new ATOM 0 HA PHE B 117 -15.885 20.754 34.542 1.00 26.73 H new ATOM 0 HB2 PHE B 117 -15.022 22.643 32.611 1.00 27.54 H new ATOM 0 HB3 PHE B 117 -16.493 22.720 33.124 1.00 27.54 H new ATOM 0 HD1 PHE B 117 -13.159 23.101 34.236 1.00 29.97 H new ATOM 0 HD2 PHE B 117 -16.981 23.822 35.149 1.00 25.15 H new ATOM 0 HE1 PHE B 117 -12.492 24.446 36.013 1.00 27.38 H new ATOM 0 HE2 PHE B 117 -16.321 25.161 36.911 1.00 29.21 H new ATOM 0 HZ PHE B 117 -14.081 25.473 37.341 1.00 31.27 H new ATOM 2135 N ASP B 118 -17.760 20.262 33.009 1.00 26.95 N ATOM 2136 CA ASP B 118 -18.835 19.975 32.092 1.00 27.22 C ATOM 2137 C ASP B 118 -19.745 21.123 32.479 1.00 27.71 C ATOM 2138 O ASP B 118 -20.361 21.079 33.534 1.00 26.64 O ATOM 2139 CB ASP B 118 -19.472 18.619 32.351 1.00 27.96 C ATOM 2140 CG ASP B 118 -20.751 18.413 31.571 1.00 32.19 C ATOM 2141 OD1 ASP B 118 -21.176 19.312 30.824 1.00 34.31 O ATOM 2142 OD2 ASP B 118 -21.350 17.348 31.725 1.00 36.56 O ATOM 0 H ASP B 118 -18.016 20.380 33.822 1.00 26.95 H new ATOM 0 HA ASP B 118 -18.593 19.918 31.154 1.00 27.22 H new ATOM 0 HB2 ASP B 118 -18.841 17.920 32.119 1.00 27.96 H new ATOM 0 HB3 ASP B 118 -19.658 18.530 33.299 1.00 27.96 H new ATOM 2143 N GLY B 119 -19.748 22.173 31.663 1.00 28.03 N ATOM 2144 CA GLY B 119 -20.510 23.366 31.947 1.00 29.35 C ATOM 2145 C GLY B 119 -19.920 24.125 33.122 1.00 28.34 C ATOM 2146 O GLY B 119 -18.732 24.457 33.118 1.00 28.31 O ATOM 0 H GLY B 119 -19.304 22.206 30.927 1.00 28.03 H new ATOM 0 HA2 GLY B 119 -20.525 23.938 31.164 1.00 29.35 H new ATOM 0 HA3 GLY B 119 -21.430 23.127 32.142 1.00 29.35 H new ATOM 2147 N ASN B 120 -20.760 24.357 34.125 1.00 28.33 N ATOM 2148 CA ASN B 120 -20.433 25.083 35.346 1.00 28.82 C ATOM 2149 C ASN B 120 -19.897 24.148 36.430 1.00 26.40 C ATOM 2150 O ASN B 120 -19.529 24.628 37.504 1.00 26.36 O ATOM 2151 CB ASN B 120 -21.700 25.709 35.979 1.00 31.53 C ATOM 2152 CG ASN B 120 -22.413 26.721 35.101 1.00 40.72 C ATOM 2153 OD1 ASN B 120 -21.845 27.301 34.171 1.00 48.85 O ATOM 2154 ND2 ASN B 120 -23.681 26.979 35.444 1.00 45.06 N ATOM 0 H ASN B 120 -21.575 24.082 34.111 1.00 28.33 H new ATOM 0 HA ASN B 120 -19.780 25.749 35.081 1.00 28.82 H new ATOM 0 HB2 ASN B 120 -22.321 24.998 36.201 1.00 31.53 H new ATOM 0 HB3 ASN B 120 -21.452 26.140 36.812 1.00 31.53 H new ATOM 0 HD21 ASN B 120 -24.132 27.569 35.010 1.00 45.06 H new ATOM 0 HD22 ASN B 120 -24.044 26.555 36.098 1.00 45.06 H new ATOM 2155 N ARG B 121 -19.879 22.837 36.196 1.00 24.89 N ATOM 2156 CA ARG B 121 -19.475 21.906 37.235 1.00 25.88 C ATOM 2157 C ARG B 121 -18.323 21.001 36.863 1.00 25.94 C ATOM 2158 O ARG B 121 -18.011 20.804 35.699 1.00 27.22 O ATOM 2159 CB ARG B 121 -20.679 21.133 37.711 1.00 26.37 C ATOM 2160 CG ARG B 121 -21.651 22.042 38.449 1.00 25.93 C ATOM 2161 CD ARG B 121 -22.788 21.305 39.064 1.00 31.68 C ATOM 2162 NE ARG B 121 -23.519 20.501 38.088 1.00 30.87 N ATOM 2163 CZ ARG B 121 -24.656 19.864 38.351 1.00 37.61 C ATOM 2164 NH1 ARG B 121 -25.155 19.872 39.580 1.00 46.83 N ATOM 2165 NH2 ARG B 121 -25.249 19.182 37.380 1.00 33.55 N ATOM 0 H ARG B 121 -20.096 22.473 35.448 1.00 24.89 H new ATOM 0 HA ARG B 121 -19.120 22.437 37.965 1.00 25.88 H new ATOM 0 HB2 ARG B 121 -21.125 20.723 36.953 1.00 26.37 H new ATOM 0 HB3 ARG B 121 -20.395 20.413 38.296 1.00 26.37 H new ATOM 0 HG2 ARG B 121 -21.172 22.524 39.142 1.00 25.93 H new ATOM 0 HG3 ARG B 121 -21.998 22.704 37.831 1.00 25.93 H new ATOM 0 HD2 ARG B 121 -22.454 20.729 39.769 1.00 31.68 H new ATOM 0 HD3 ARG B 121 -23.395 21.938 39.478 1.00 31.68 H new ATOM 0 HE ARG B 121 -23.194 20.436 37.294 1.00 30.87 H new ATOM 0 HH11 ARG B 121 -24.743 20.290 40.209 1.00 46.83 H new ATOM 0 HH12 ARG B 121 -25.891 19.459 39.748 1.00 46.83 H new ATOM 0 HH21 ARG B 121 -24.898 19.157 36.596 1.00 33.55 H new ATOM 0 HH22 ARG B 121 -25.985 18.765 37.535 1.00 33.55 H new ATOM 2166 N LEU B 122 -17.716 20.463 37.908 1.00 25.38 N ATOM 2167 CA LEU B 122 -16.510 19.681 37.821 1.00 25.39 C ATOM 2168 C LEU B 122 -16.805 18.201 37.672 1.00 23.67 C ATOM 2169 O LEU B 122 -17.604 17.645 38.423 1.00 24.75 O ATOM 2170 CB LEU B 122 -15.666 19.933 39.066 1.00 24.58 C ATOM 2171 CG LEU B 122 -15.298 21.401 39.268 1.00 29.29 C ATOM 2172 CD1 LEU B 122 -14.519 21.530 40.548 1.00 27.73 C ATOM 2173 CD2 LEU B 122 -14.513 21.987 38.109 1.00 29.87 C ATOM 0 H LEU B 122 -18.009 20.549 38.712 1.00 25.38 H new ATOM 0 HA LEU B 122 -16.022 19.954 37.028 1.00 25.39 H new ATOM 0 HB2 LEU B 122 -16.151 19.619 39.845 1.00 24.58 H new ATOM 0 HB3 LEU B 122 -14.852 19.408 39.008 1.00 24.58 H new ATOM 0 HG LEU B 122 -16.123 21.909 39.315 1.00 29.29 H new ATOM 0 HD11 LEU B 122 -14.279 22.459 40.688 1.00 27.73 H new ATOM 0 HD12 LEU B 122 -15.062 21.221 41.290 1.00 27.73 H new ATOM 0 HD13 LEU B 122 -13.713 20.993 40.492 1.00 27.73 H new ATOM 0 HD21 LEU B 122 -14.309 22.917 38.294 1.00 29.87 H new ATOM 0 HD22 LEU B 122 -13.687 21.492 37.994 1.00 29.87 H new ATOM 0 HD23 LEU B 122 -15.041 21.927 37.297 1.00 29.87 H new ATOM 2174 N THR B 123 -16.147 17.565 36.703 1.00 24.40 N ATOM 2175 CA THR B 123 -16.352 16.152 36.404 1.00 24.14 C ATOM 2176 C THR B 123 -15.203 15.275 36.865 1.00 23.63 C ATOM 2177 O THR B 123 -15.266 14.041 36.734 1.00 24.09 O ATOM 2178 CB THR B 123 -16.593 15.943 34.915 1.00 28.22 C ATOM 2179 OG1 THR B 123 -15.465 16.419 34.185 1.00 27.97 O ATOM 2180 CG2 THR B 123 -17.830 16.704 34.476 1.00 25.76 C ATOM 0 H THR B 123 -15.565 17.946 36.198 1.00 24.40 H new ATOM 0 HA THR B 123 -17.139 15.882 36.903 1.00 24.14 H new ATOM 0 HB THR B 123 -16.724 14.997 34.744 1.00 28.22 H new ATOM 0 HG1 THR B 123 -15.690 16.575 33.391 1.00 27.97 H new ATOM 0 HG21 THR B 123 -17.976 16.565 33.527 1.00 25.76 H new ATOM 0 HG22 THR B 123 -18.600 16.384 34.971 1.00 25.76 H new ATOM 0 HG23 THR B 123 -17.706 17.650 34.649 1.00 25.76 H new ATOM 2181 N GLY B 124 -14.126 15.896 37.335 1.00 22.29 N ATOM 2182 CA GLY B 124 -12.998 15.123 37.838 1.00 22.49 C ATOM 2183 C GLY B 124 -11.761 15.960 37.984 1.00 23.10 C ATOM 2184 O GLY B 124 -11.751 17.165 37.677 1.00 23.51 O ATOM 0 H GLY B 124 -14.029 16.750 37.371 1.00 22.29 H new ATOM 0 HA2 GLY B 124 -13.229 14.737 38.697 1.00 22.49 H new ATOM 0 HA3 GLY B 124 -12.818 14.385 37.235 1.00 22.49 H new ATOM 2185 N HIS B 125 -10.720 15.303 38.459 1.00 24.42 N ATOM 2186 CA HIS B 125 -9.445 15.961 38.619 1.00 22.39 C ATOM 2187 C HIS B 125 -8.283 15.023 38.450 1.00 23.86 C ATOM 2188 O HIS B 125 -8.407 13.835 38.657 1.00 25.23 O ATOM 2189 CB HIS B 125 -9.333 16.697 39.964 1.00 23.59 C ATOM 2190 CG HIS B 125 -9.159 15.808 41.159 1.00 22.89 C ATOM 2191 ND1 HIS B 125 -10.175 15.563 42.058 1.00 24.48 N ATOM 2192 CD2 HIS B 125 -8.068 15.171 41.646 1.00 26.34 C ATOM 2193 CE1 HIS B 125 -9.725 14.779 43.028 1.00 26.51 C ATOM 2194 NE2 HIS B 125 -8.452 14.512 42.791 1.00 24.71 N ATOM 0 H HIS B 125 -10.732 14.476 38.694 1.00 24.42 H new ATOM 0 HA HIS B 125 -9.404 16.618 37.907 1.00 22.39 H new ATOM 0 HB2 HIS B 125 -8.582 17.309 39.921 1.00 23.59 H new ATOM 0 HB3 HIS B 125 -10.130 17.235 40.091 1.00 23.59 H new ATOM 0 HD1 HIS B 125 -10.976 15.871 41.999 1.00 24.48 H new ATOM 0 HD2 HIS B 125 -7.215 15.178 41.275 1.00 26.34 H new ATOM 0 HE1 HIS B 125 -10.220 14.470 43.752 1.00 26.51 H new ATOM 0 HE2 HIS B 125 -7.947 14.009 43.273 1.00 24.71 H new ATOM 2195 N TRP B 126 -7.147 15.619 38.138 1.00 24.57 N ATOM 2196 CA TRP B 126 -5.890 14.915 38.006 1.00 25.65 C ATOM 2197 C TRP B 126 -4.996 15.773 38.879 1.00 24.96 C ATOM 2198 O TRP B 126 -4.777 16.936 38.548 1.00 26.01 O ATOM 2199 CB TRP B 126 -5.463 14.967 36.563 1.00 26.26 C ATOM 2200 CG TRP B 126 -4.323 14.108 36.177 1.00 26.16 C ATOM 2201 CD1 TRP B 126 -4.415 12.982 35.454 1.00 28.36 C ATOM 2202 CD2 TRP B 126 -2.920 14.316 36.435 1.00 25.94 C ATOM 2203 NE1 TRP B 126 -3.180 12.449 35.250 1.00 27.95 N ATOM 2204 CE2 TRP B 126 -2.235 13.256 35.811 1.00 25.47 C ATOM 2205 CE3 TRP B 126 -2.178 15.307 37.087 1.00 26.50 C ATOM 2206 CZ2 TRP B 126 -0.834 13.121 35.853 1.00 25.47 C ATOM 2207 CZ3 TRP B 126 -0.776 15.179 37.117 1.00 27.03 C ATOM 2208 CH2 TRP B 126 -0.138 14.090 36.509 1.00 26.86 C ATOM 0 H TRP B 126 -7.085 16.465 37.994 1.00 24.57 H new ATOM 0 HA TRP B 126 -5.894 13.978 38.257 1.00 25.65 H new ATOM 0 HB2 TRP B 126 -6.224 14.725 36.013 1.00 26.26 H new ATOM 0 HB3 TRP B 126 -5.237 15.885 36.347 1.00 26.26 H new ATOM 0 HD1 TRP B 126 -5.210 12.618 35.137 1.00 28.36 H new ATOM 0 HE1 TRP B 126 -3.020 11.715 34.831 1.00 27.95 H new ATOM 0 HE3 TRP B 126 -2.600 16.031 37.490 1.00 26.50 H new ATOM 0 HZ2 TRP B 126 -0.403 12.402 35.450 1.00 25.47 H new ATOM 0 HZ3 TRP B 126 -0.266 15.827 37.547 1.00 27.03 H new ATOM 0 HH2 TRP B 126 0.789 14.027 36.555 1.00 26.86 H new ATOM 2209 N GLN B 127 -4.433 15.188 39.936 1.00 24.46 N ATOM 2210 CA GLN B 127 -3.729 15.975 40.910 1.00 26.08 C ATOM 2211 C GLN B 127 -2.436 15.365 41.378 1.00 26.67 C ATOM 2212 O GLN B 127 -2.291 14.152 41.410 1.00 26.78 O ATOM 2213 CB GLN B 127 -4.661 16.144 42.087 1.00 26.45 C ATOM 2214 CG GLN B 127 -4.088 16.806 43.310 1.00 28.49 C ATOM 2215 CD GLN B 127 -5.165 17.098 44.263 1.00 30.56 C ATOM 2216 OE1 GLN B 127 -5.711 18.169 44.196 1.00 29.74 O ATOM 2217 NE2 GLN B 127 -5.530 16.137 45.106 1.00 30.63 N ATOM 0 H GLN B 127 -4.453 14.343 40.096 1.00 24.46 H new ATOM 0 HA GLN B 127 -3.481 16.817 40.497 1.00 26.08 H new ATOM 0 HB2 GLN B 127 -5.428 16.660 41.794 1.00 26.45 H new ATOM 0 HB3 GLN B 127 -4.989 15.268 42.342 1.00 26.45 H new ATOM 0 HG2 GLN B 127 -3.427 16.228 43.722 1.00 28.49 H new ATOM 0 HG3 GLN B 127 -3.632 17.626 43.062 1.00 28.49 H new ATOM 0 HE21 GLN B 127 -5.106 15.389 45.114 1.00 30.63 H new ATOM 0 HE22 GLN B 127 -6.190 16.264 45.643 1.00 30.63 H new ATOM 2218 N ILE B 128 -1.517 16.248 41.749 1.00 26.71 N ATOM 2219 CA ILE B 128 -0.260 15.850 42.345 1.00 24.44 C ATOM 2220 C ILE B 128 -0.079 16.831 43.489 1.00 25.50 C ATOM 2221 O ILE B 128 -0.304 18.019 43.317 1.00 25.16 O ATOM 2222 CB ILE B 128 0.962 16.006 41.426 1.00 26.39 C ATOM 2223 CG1 ILE B 128 0.809 15.310 40.087 1.00 33.85 C ATOM 2224 CG2 ILE B 128 2.180 15.406 42.123 1.00 28.08 C ATOM 2225 CD1 ILE B 128 0.945 13.845 40.098 1.00 34.24 C ATOM 0 H ILE B 128 -1.610 17.098 41.660 1.00 26.71 H new ATOM 0 HA ILE B 128 -0.302 14.910 42.580 1.00 24.44 H new ATOM 0 HB ILE B 128 1.060 16.956 41.255 1.00 26.39 H new ATOM 0 HG12 ILE B 128 -0.063 15.533 39.725 1.00 33.85 H new ATOM 0 HG13 ILE B 128 1.470 15.673 39.477 1.00 33.85 H new ATOM 0 HG21 ILE B 128 2.958 15.499 41.552 1.00 28.08 H new ATOM 0 HG22 ILE B 128 2.336 15.871 42.960 1.00 28.08 H new ATOM 0 HG23 ILE B 128 2.021 14.466 42.301 1.00 28.08 H new ATOM 0 HD11 ILE B 128 0.831 13.502 39.198 1.00 34.24 H new ATOM 0 HD12 ILE B 128 1.826 13.604 40.426 1.00 34.24 H new ATOM 0 HD13 ILE B 128 0.269 13.461 40.678 1.00 34.24 H new ATOM 2226 N THR B 129 0.280 16.325 44.657 1.00 23.11 N ATOM 2227 CA THR B 129 0.519 17.180 45.811 1.00 23.32 C ATOM 2228 C THR B 129 1.844 16.815 46.430 1.00 23.88 C ATOM 2229 O THR B 129 2.337 15.691 46.249 1.00 25.51 O ATOM 2230 CB THR B 129 -0.557 17.014 46.847 1.00 24.07 C ATOM 2231 OG1 THR B 129 -0.404 15.745 47.490 1.00 26.08 O ATOM 2232 CG2 THR B 129 -1.963 17.127 46.231 1.00 23.45 C ATOM 0 H THR B 129 0.392 15.485 44.805 1.00 23.11 H new ATOM 0 HA THR B 129 0.520 18.102 45.509 1.00 23.32 H new ATOM 0 HB THR B 129 -0.465 17.728 47.497 1.00 24.07 H new ATOM 0 HG1 THR B 129 -1.156 15.461 47.732 1.00 26.08 H new ATOM 0 HG21 THR B 129 -2.631 17.015 46.926 1.00 23.45 H new ATOM 0 HG22 THR B 129 -2.067 17.999 45.820 1.00 23.45 H new ATOM 0 HG23 THR B 129 -2.078 16.438 45.559 1.00 23.45 H new ATOM 2233 N ASP B 130 2.377 17.745 47.219 1.00 24.12 N ATOM 2234 CA ASP B 130 3.662 17.554 47.855 1.00 25.02 C ATOM 2235 C ASP B 130 3.488 16.736 49.129 1.00 24.53 C ATOM 2236 O ASP B 130 3.675 17.244 50.235 1.00 24.99 O ATOM 2237 CB ASP B 130 4.327 18.879 48.151 1.00 24.90 C ATOM 2238 CG ASP B 130 5.724 18.734 48.671 1.00 24.41 C ATOM 2239 OD1 ASP B 130 6.324 17.665 48.450 1.00 24.99 O ATOM 2240 OD2 ASP B 130 6.219 19.689 49.314 1.00 25.05 O ATOM 0 H ASP B 130 2.001 18.498 47.396 1.00 24.12 H new ATOM 0 HA ASP B 130 4.241 17.069 47.246 1.00 25.02 H new ATOM 0 HB2 ASP B 130 4.343 19.414 47.342 1.00 24.90 H new ATOM 0 HB3 ASP B 130 3.795 19.363 48.801 1.00 24.90 H new ATOM 2241 N ARG B 131 3.157 15.460 48.958 1.00 24.50 N ATOM 2242 CA ARG B 131 2.980 14.563 50.093 1.00 24.18 C ATOM 2243 C ARG B 131 4.270 14.303 50.812 1.00 25.52 C ATOM 2244 O ARG B 131 4.259 14.162 52.034 1.00 26.24 O ATOM 2245 CB ARG B 131 2.389 13.229 49.678 1.00 24.74 C ATOM 2246 CG ARG B 131 0.980 13.345 49.130 1.00 23.97 C ATOM 2247 CD ARG B 131 0.411 11.988 48.905 1.00 25.02 C ATOM 2248 NE ARG B 131 1.196 11.253 47.924 1.00 28.60 N ATOM 2249 CZ ARG B 131 1.256 9.922 47.831 1.00 29.05 C ATOM 2250 NH1 ARG B 131 0.542 9.107 48.603 1.00 28.35 N ATOM 2251 NH2 ARG B 131 2.033 9.387 46.910 1.00 26.15 N ATOM 0 H ARG B 131 3.030 15.094 48.190 1.00 24.50 H new ATOM 0 HA ARG B 131 2.364 15.018 50.689 1.00 24.18 H new ATOM 0 HB2 ARG B 131 2.959 12.824 49.006 1.00 24.74 H new ATOM 0 HB3 ARG B 131 2.384 12.632 50.442 1.00 24.74 H new ATOM 0 HG2 ARG B 131 0.423 13.839 49.751 1.00 23.97 H new ATOM 0 HG3 ARG B 131 0.988 13.843 48.298 1.00 23.97 H new ATOM 0 HD2 ARG B 131 0.392 11.498 49.742 1.00 25.02 H new ATOM 0 HD3 ARG B 131 -0.506 12.064 48.600 1.00 25.02 H new ATOM 0 HE ARG B 131 1.657 11.711 47.361 1.00 28.60 H new ATOM 0 HH11 ARG B 131 0.011 9.432 49.196 1.00 28.35 H new ATOM 0 HH12 ARG B 131 0.612 8.255 48.509 1.00 28.35 H new ATOM 0 HH21 ARG B 131 2.488 9.893 46.384 1.00 26.15 H new ATOM 0 HH22 ARG B 131 2.085 8.532 46.835 1.00 26.15 H new ATOM 2252 N LEU B 132 5.376 14.188 50.077 1.00 25.29 N ATOM 2253 CA LEU B 132 6.655 13.977 50.714 1.00 23.29 C ATOM 2254 C LEU B 132 7.002 15.155 51.613 1.00 22.97 C ATOM 2255 O LEU B 132 7.492 14.952 52.695 1.00 23.30 O ATOM 2256 CB LEU B 132 7.767 13.741 49.694 1.00 23.34 C ATOM 2257 CG LEU B 132 9.115 13.397 50.336 1.00 22.40 C ATOM 2258 CD1 LEU B 132 9.049 12.146 51.213 1.00 25.27 C ATOM 2259 CD2 LEU B 132 10.136 13.198 49.246 1.00 24.34 C ATOM 0 H LEU B 132 5.399 14.230 49.218 1.00 25.29 H new ATOM 0 HA LEU B 132 6.581 13.176 51.256 1.00 23.29 H new ATOM 0 HB2 LEU B 132 7.505 13.020 49.100 1.00 23.34 H new ATOM 0 HB3 LEU B 132 7.870 14.536 49.147 1.00 23.34 H new ATOM 0 HG LEU B 132 9.364 14.135 50.914 1.00 22.40 H new ATOM 0 HD11 LEU B 132 9.924 11.972 51.595 1.00 25.27 H new ATOM 0 HD12 LEU B 132 8.407 12.285 51.927 1.00 25.27 H new ATOM 0 HD13 LEU B 132 8.774 11.387 50.675 1.00 25.27 H new ATOM 0 HD21 LEU B 132 10.994 12.980 49.642 1.00 24.34 H new ATOM 0 HD22 LEU B 132 9.854 12.473 48.667 1.00 24.34 H new ATOM 0 HD23 LEU B 132 10.218 14.013 48.727 1.00 24.34 H new ATOM 2260 N GLY B 133 6.793 16.375 51.144 1.00 22.54 N ATOM 2261 CA GLY B 133 7.040 17.566 51.957 1.00 24.77 C ATOM 2262 C GLY B 133 6.284 17.514 53.270 1.00 25.16 C ATOM 2263 O GLY B 133 6.836 17.799 54.314 1.00 24.65 O ATOM 0 H GLY B 133 6.506 16.541 50.351 1.00 22.54 H new ATOM 0 HA2 GLY B 133 7.990 17.647 52.133 1.00 24.77 H new ATOM 0 HA3 GLY B 133 6.775 18.357 51.462 1.00 24.77 H new ATOM 2264 N VAL B 134 5.014 17.130 53.219 1.00 25.39 N ATOM 2265 CA VAL B 134 4.187 17.004 54.422 1.00 24.92 C ATOM 2266 C VAL B 134 4.721 15.918 55.328 1.00 23.71 C ATOM 2267 O VAL B 134 4.864 16.110 56.522 1.00 23.98 O ATOM 2268 CB VAL B 134 2.703 16.740 54.042 1.00 25.13 C ATOM 2269 CG1 VAL B 134 1.849 16.331 55.265 1.00 28.12 C ATOM 2270 CG2 VAL B 134 2.145 17.983 53.367 1.00 24.04 C ATOM 0 H VAL B 134 4.604 16.934 52.489 1.00 25.39 H new ATOM 0 HA VAL B 134 4.226 17.842 54.909 1.00 24.92 H new ATOM 0 HB VAL B 134 2.666 15.990 53.428 1.00 25.13 H new ATOM 0 HG11 VAL B 134 0.934 16.177 54.984 1.00 28.12 H new ATOM 0 HG12 VAL B 134 2.209 15.518 55.654 1.00 28.12 H new ATOM 0 HG13 VAL B 134 1.868 17.041 55.925 1.00 28.12 H new ATOM 0 HG21 VAL B 134 1.218 17.831 53.124 1.00 24.04 H new ATOM 0 HG22 VAL B 134 2.200 18.735 53.977 1.00 24.04 H new ATOM 0 HG23 VAL B 134 2.660 18.177 52.568 1.00 24.04 H new ATOM 2271 N TYR B 135 5.046 14.786 54.733 1.00 24.67 N ATOM 2272 CA TYR B 135 5.603 13.663 55.472 1.00 24.44 C ATOM 2273 C TYR B 135 6.874 14.074 56.196 1.00 25.08 C ATOM 2274 O TYR B 135 7.073 13.757 57.369 1.00 25.06 O ATOM 2275 CB TYR B 135 5.888 12.511 54.525 1.00 25.96 C ATOM 2276 CG TYR B 135 6.422 11.328 55.279 1.00 26.99 C ATOM 2277 CD1 TYR B 135 5.610 10.655 56.197 1.00 30.42 C ATOM 2278 CD2 TYR B 135 7.738 10.908 55.111 1.00 29.22 C ATOM 2279 CE1 TYR B 135 6.085 9.560 56.908 1.00 28.68 C ATOM 2280 CE2 TYR B 135 8.218 9.810 55.798 1.00 30.11 C ATOM 2281 CZ TYR B 135 7.395 9.154 56.705 1.00 30.56 C ATOM 2282 OH TYR B 135 7.894 8.085 57.390 1.00 30.10 O ATOM 0 H TYR B 135 4.951 14.643 53.890 1.00 24.67 H new ATOM 0 HA TYR B 135 4.955 13.376 56.134 1.00 24.44 H new ATOM 0 HB2 TYR B 135 5.076 12.263 54.056 1.00 25.96 H new ATOM 0 HB3 TYR B 135 6.530 12.789 53.853 1.00 25.96 H new ATOM 0 HD1 TYR B 135 4.737 10.945 56.334 1.00 30.42 H new ATOM 0 HD2 TYR B 135 8.299 11.371 54.531 1.00 29.22 H new ATOM 0 HE1 TYR B 135 5.536 9.109 57.508 1.00 28.68 H new ATOM 0 HE2 TYR B 135 9.087 9.512 55.654 1.00 30.11 H new ATOM 0 HH TYR B 135 8.480 7.703 56.925 1.00 30.10 H new ATOM 2283 N GLN B 136 7.718 14.807 55.482 1.00 25.99 N ATOM 2284 CA GLN B 136 8.942 15.342 56.063 1.00 25.24 C ATOM 2285 C GLN B 136 8.677 16.256 57.248 1.00 25.28 C ATOM 2286 O GLN B 136 9.274 16.092 58.313 1.00 25.51 O ATOM 2287 CB GLN B 136 9.732 16.090 55.008 1.00 24.99 C ATOM 2288 CG GLN B 136 10.370 15.177 53.994 1.00 25.07 C ATOM 2289 CD GLN B 136 11.046 15.949 52.875 1.00 28.47 C ATOM 2290 OE1 GLN B 136 10.767 17.136 52.649 1.00 28.11 O ATOM 2291 NE2 GLN B 136 11.940 15.267 52.159 1.00 31.18 N ATOM 0 H GLN B 136 7.600 15.007 54.654 1.00 25.99 H new ATOM 0 HA GLN B 136 9.454 14.586 56.390 1.00 25.24 H new ATOM 0 HB2 GLN B 136 9.144 16.712 54.551 1.00 24.99 H new ATOM 0 HB3 GLN B 136 10.422 16.617 55.441 1.00 24.99 H new ATOM 0 HG2 GLN B 136 11.023 14.612 54.435 1.00 25.07 H new ATOM 0 HG3 GLN B 136 9.695 14.591 53.619 1.00 25.07 H new ATOM 0 HE21 GLN B 136 12.105 14.444 52.348 1.00 31.18 H new ATOM 0 HE22 GLN B 136 12.352 15.650 51.508 1.00 31.18 H new ATOM 2292 N GLN B 137 7.752 17.186 57.068 1.00 24.61 N ATOM 2293 CA GLN B 137 7.378 18.123 58.134 1.00 25.02 C ATOM 2294 C GLN B 137 6.857 17.366 59.349 1.00 24.61 C ATOM 2295 O GLN B 137 7.251 17.641 60.474 1.00 24.44 O ATOM 2296 CB GLN B 137 6.309 19.074 57.640 1.00 24.69 C ATOM 2297 CG GLN B 137 6.834 20.038 56.621 1.00 26.58 C ATOM 2298 CD GLN B 137 5.720 20.759 55.970 1.00 25.86 C ATOM 2299 OE1 GLN B 137 5.030 21.532 56.621 1.00 28.38 O ATOM 2300 NE2 GLN B 137 5.542 20.545 54.681 1.00 24.20 N ATOM 0 H GLN B 137 7.322 17.297 56.332 1.00 24.61 H new ATOM 0 HA GLN B 137 8.167 18.627 58.388 1.00 25.02 H new ATOM 0 HB2 GLN B 137 5.579 18.565 57.255 1.00 24.69 H new ATOM 0 HB3 GLN B 137 5.945 19.567 58.392 1.00 24.69 H new ATOM 0 HG2 GLN B 137 7.433 20.672 57.046 1.00 26.58 H new ATOM 0 HG3 GLN B 137 7.352 19.562 55.954 1.00 26.58 H new ATOM 0 HE21 GLN B 137 6.051 19.992 54.263 1.00 24.20 H new ATOM 0 HE22 GLN B 137 4.917 20.958 54.259 1.00 24.20 H new ATOM 2301 N LEU B 138 6.002 16.380 59.103 1.00 25.75 N ATOM 2302 CA LEU B 138 5.443 15.563 60.186 1.00 25.71 C ATOM 2303 C LEU B 138 6.519 14.804 60.940 1.00 26.51 C ATOM 2304 O LEU B 138 6.516 14.769 62.174 1.00 28.33 O ATOM 2305 CB LEU B 138 4.404 14.587 59.638 1.00 25.58 C ATOM 2306 CG LEU B 138 3.128 15.271 59.132 1.00 22.65 C ATOM 2307 CD1 LEU B 138 2.288 14.264 58.371 1.00 27.32 C ATOM 2308 CD2 LEU B 138 2.338 15.895 60.287 1.00 23.37 C ATOM 0 H LEU B 138 5.730 16.164 58.316 1.00 25.75 H new ATOM 0 HA LEU B 138 5.016 16.170 60.811 1.00 25.71 H new ATOM 0 HB2 LEU B 138 4.799 14.079 58.912 1.00 25.58 H new ATOM 0 HB3 LEU B 138 4.168 13.953 60.333 1.00 25.58 H new ATOM 0 HG LEU B 138 3.372 15.994 58.533 1.00 22.65 H new ATOM 0 HD11 LEU B 138 1.480 14.694 58.050 1.00 27.32 H new ATOM 0 HD12 LEU B 138 2.795 13.924 57.617 1.00 27.32 H new ATOM 0 HD13 LEU B 138 2.051 13.530 58.959 1.00 27.32 H new ATOM 0 HD21 LEU B 138 1.538 16.320 59.940 1.00 23.37 H new ATOM 0 HD22 LEU B 138 2.088 15.203 60.919 1.00 23.37 H new ATOM 0 HD23 LEU B 138 2.887 16.558 60.734 1.00 23.37 H new ATOM 2309 N ARG B 139 7.410 14.177 60.180 1.00 27.01 N ATOM 2310 CA ARG B 139 8.561 13.462 60.741 1.00 27.23 C ATOM 2311 C ARG B 139 9.490 14.379 61.527 1.00 28.77 C ATOM 2312 O ARG B 139 9.950 14.014 62.603 1.00 29.08 O ATOM 2313 CB ARG B 139 9.352 12.777 59.631 1.00 27.22 C ATOM 2314 CG ARG B 139 8.678 11.539 59.096 1.00 29.86 C ATOM 2315 CD ARG B 139 8.873 10.350 60.022 1.00 31.44 C ATOM 2316 NE ARG B 139 10.300 10.071 60.211 1.00 34.32 N ATOM 2317 CZ ARG B 139 11.097 9.365 59.402 1.00 36.36 C ATOM 2318 NH1 ARG B 139 10.649 8.794 58.290 1.00 34.31 N ATOM 2319 NH2 ARG B 139 12.383 9.233 59.720 1.00 36.66 N ATOM 0 H ARG B 139 7.367 14.152 59.321 1.00 27.01 H new ATOM 0 HA ARG B 139 8.206 12.800 61.355 1.00 27.23 H new ATOM 0 HB2 ARG B 139 9.487 13.404 58.904 1.00 27.22 H new ATOM 0 HB3 ARG B 139 10.230 12.540 59.967 1.00 27.22 H new ATOM 0 HG2 ARG B 139 7.730 11.709 58.983 1.00 29.86 H new ATOM 0 HG3 ARG B 139 9.035 11.329 58.219 1.00 29.86 H new ATOM 0 HD2 ARG B 139 8.457 10.530 60.880 1.00 31.44 H new ATOM 0 HD3 ARG B 139 8.432 9.569 59.651 1.00 31.44 H new ATOM 0 HE ARG B 139 10.664 10.397 60.919 1.00 34.32 H new ATOM 0 HH11 ARG B 139 9.821 8.872 58.070 1.00 34.31 H new ATOM 0 HH12 ARG B 139 11.187 8.346 57.790 1.00 34.31 H new ATOM 0 HH21 ARG B 139 12.689 9.599 60.436 1.00 36.66 H new ATOM 0 HH22 ARG B 139 12.908 8.782 59.210 1.00 36.66 H new ATOM 2320 N GLN B 140 9.774 15.557 60.986 1.00 29.51 N ATOM 2321 CA GLN B 140 10.644 16.532 61.662 1.00 30.29 C ATOM 2322 C GLN B 140 10.060 16.972 63.011 1.00 31.58 C ATOM 2323 O GLN B 140 10.800 17.122 63.978 1.00 30.84 O ATOM 2324 CB GLN B 140 10.917 17.751 60.766 1.00 31.88 C ATOM 0 H GLN B 140 9.474 15.819 60.224 1.00 29.51 H new ATOM 0 HA GLN B 140 11.489 16.088 61.836 1.00 30.29 H new ATOM 2325 N ALA B 141 8.738 17.148 63.057 1.00 31.70 N ATOM 2326 CA ALA B 141 7.995 17.542 64.252 1.00 31.81 C ATOM 2327 C ALA B 141 7.687 16.408 65.239 1.00 33.63 C ATOM 2328 O ALA B 141 7.402 16.689 66.402 1.00 35.45 O ATOM 2329 CB ALA B 141 6.682 18.208 63.845 1.00 31.93 C ATOM 0 H ALA B 141 8.234 17.037 62.369 1.00 31.70 H new ATOM 0 HA ALA B 141 8.584 18.153 64.722 1.00 31.81 H new ATOM 0 HB1 ALA B 141 6.191 18.468 64.640 1.00 31.93 H new ATOM 0 HB2 ALA B 141 6.870 18.995 63.310 1.00 31.93 H new ATOM 0 HB3 ALA B 141 6.150 17.584 63.327 1.00 31.93 H new ATOM 2330 N ALA B 142 7.764 15.153 64.799 1.00 33.05 N ATOM 2331 CA ALA B 142 7.408 14.002 65.631 1.00 32.72 C ATOM 2332 C ALA B 142 8.417 13.719 66.746 1.00 34.97 C ATOM 2333 O ALA B 142 9.568 14.158 66.687 1.00 36.23 O ATOM 2334 CB ALA B 142 7.214 12.776 64.764 1.00 33.01 C ATOM 0 H ALA B 142 8.025 14.944 64.007 1.00 33.05 H new ATOM 0 HA ALA B 142 6.575 14.226 66.074 1.00 32.72 H new ATOM 0 HB1 ALA B 142 6.979 12.019 65.322 1.00 33.01 H new ATOM 0 HB2 ALA B 142 6.502 12.940 64.126 1.00 33.01 H new ATOM 0 HB3 ALA B 142 8.037 12.583 64.288 1.00 33.01 H new TER 2335 ALA B 142 HETATM 2336 C1 GOL A 146 12.640 18.515 35.836 1.00 32.01 C HETATM 2337 O1 GOL A 146 12.337 18.893 37.154 1.00 31.21 O HETATM 2338 C2 GOL A 146 12.150 19.538 34.817 1.00 36.80 C HETATM 2339 O2 GOL A 146 12.696 20.805 35.134 1.00 28.84 O HETATM 2340 C3 GOL A 146 10.623 19.529 34.749 1.00 38.50 C HETATM 2341 O3 GOL A 146 10.078 19.057 33.528 1.00 49.78 O HETATM 0 HO3 GOL A 146 10.058 19.684 32.969 1.00 49.78 H new HETATM 0 HO2 GOL A 146 12.655 21.305 34.460 1.00 28.84 H new HETATM 0 HO1 GOL A 146 12.227 18.206 37.625 1.00 31.21 H new HETATM 0 H32 GOL A 146 10.284 18.979 35.472 1.00 38.50 H new HETATM 0 H31 GOL A 146 10.301 20.431 34.904 1.00 38.50 H new HETATM 0 H2 GOL A 146 12.457 19.309 33.926 1.00 36.80 H new HETATM 0 H12 GOL A 146 13.599 18.404 35.745 1.00 32.01 H new HETATM 0 H11 GOL A 146 12.236 17.654 35.647 1.00 32.01 H new HETATM 2342 O HOH A 147 7.679 17.512 44.051 1.00 20.34 O HETATM 2343 O HOH A 148 6.591 33.503 35.764 1.00 31.15 O HETATM 2344 O HOH A 149 17.473 22.553 34.669 1.00 20.82 O HETATM 2345 O HOH A 150 12.762 22.711 33.273 1.00 18.50 O HETATM 2346 O HOH A 151 -3.944 22.840 21.961 1.00 31.69 O HETATM 2347 O HOH A 152 18.971 28.317 19.789 1.00 41.65 O HETATM 2348 O HOH A 153 13.387 17.041 50.121 1.00 30.78 O HETATM 2349 O HOH A 154 1.641 6.456 46.889 1.00 35.04 O HETATM 2350 O HOH A 155 11.715 22.590 48.617 1.00 35.57 O HETATM 2351 O HOH A 156 13.657 36.179 27.929 1.00 31.97 O HETATM 2352 O HOH A 157 -3.076 19.783 24.287 1.00 19.71 O HETATM 2353 O HOH A 158 8.506 24.304 47.917 1.00 24.20 O HETATM 2354 O HOH A 159 24.530 30.523 30.135 1.00 31.84 O HETATM 2355 O HOH A 160 0.865 25.613 21.332 1.00 21.81 O HETATM 2356 O HOH A 161 16.945 20.477 48.591 1.00 41.35 O HETATM 2357 O HOH A 162 22.802 29.897 36.974 1.00 27.53 O HETATM 2358 O HOH A 163 12.279 34.640 23.875 1.00 25.99 O HETATM 2359 O HOH A 164 26.016 26.875 28.277 1.00 34.47 O HETATM 2360 O HOH A 165 13.022 18.840 40.741 1.00 39.43 O HETATM 2361 O HOH A 166 12.260 27.072 21.897 1.00 23.46 O HETATM 2362 O HOH A 167 23.861 17.478 24.705 1.00 31.36 O HETATM 2363 O HOH A 168 12.981 17.724 44.156 1.00 45.33 O HETATM 2364 O HOH A 169 13.098 33.778 35.063 1.00 21.50 O HETATM 2365 O HOH A 170 9.692 28.570 47.740 1.00 34.01 O HETATM 2366 O HOH A 171 10.647 15.472 41.736 1.00 29.79 O HETATM 2367 O HOH A 172 15.589 23.716 47.917 1.00 52.71 O HETATM 2368 O HOH A 173 26.900 22.228 29.957 1.00 38.76 O HETATM 2369 O HOH A 174 22.937 13.425 40.254 1.00 31.19 O HETATM 2370 O HOH A 175 -0.355 29.467 26.931 1.00 32.43 O HETATM 2371 O HOH A 176 5.361 1.464 46.676 1.00 39.05 O HETATM 2372 O HOH A 177 2.030 23.789 19.592 1.00 25.55 O HETATM 2373 O HOH A 178 5.843 29.607 22.664 1.00 26.62 O HETATM 2374 O HOH A 179 2.901 9.039 40.635 1.00 23.82 O HETATM 2375 O HOH A 180 16.150 12.851 38.456 1.00 32.71 O HETATM 2376 O HOH A 181 -5.257 19.216 22.909 1.00 37.34 O HETATM 2377 O HOH A 182 21.624 32.471 29.933 1.00 30.21 O HETATM 2378 O HOH A 183 2.383 7.172 44.196 1.00 24.06 O HETATM 2379 O HOH A 184 -0.198 11.208 26.609 1.00 38.57 O HETATM 2380 O HOH A 185 26.471 24.119 32.184 1.00 25.83 O HETATM 2381 O HOH A 186 24.297 13.982 33.650 1.00 32.14 O HETATM 2382 O HOH A 187 18.704 31.804 26.196 1.00 23.34 O HETATM 2383 O HOH A 188 -2.661 12.160 27.240 1.00 30.03 O HETATM 2384 O HOH A 189 5.689 27.651 48.806 1.00 34.42 O HETATM 2385 O HOH A 190 7.919 14.692 24.974 1.00 28.06 O HETATM 2386 O HOH A 191 0.458 33.325 20.820 1.00 38.33 O HETATM 2387 O HOH A 193 4.222 5.118 33.211 1.00 38.80 O HETATM 2388 O HOH A 194 -2.268 30.292 23.401 1.00 37.40 O HETATM 2389 O HOH A 195 2.036 19.000 21.400 1.00 42.17 O HETATM 2390 O HOH A 196 19.684 6.093 28.926 1.00 41.38 O HETATM 2391 O HOH A 197 -0.368 4.715 47.003 1.00 37.26 O HETATM 2392 O HOH A 198 8.261 26.690 48.836 1.00 34.74 O HETATM 2393 O HOH A 205 20.610 35.008 33.507 1.00 42.75 O HETATM 2394 O HOH A 206 23.478 31.112 27.147 1.00 38.15 O HETATM 2395 O HOH A 207 14.997 7.993 28.508 1.00 43.97 O HETATM 2396 O HOH A 208 12.621 5.205 31.318 1.00 38.84 O HETATM 2397 O HOH A 211 -1.471 28.241 19.670 1.00 41.03 O HETATM 2398 O HOH A 212 2.199 35.933 22.678 1.00 36.40 O HETATM 2399 O HOH A 215 13.900 35.087 39.145 1.00 40.05 O HETATM 2400 O HOH A 216 10.387 23.048 19.156 1.00 51.51 O HETATM 2401 O HOH A 219 26.460 18.528 27.980 1.00 43.37 O HETATM 2402 O HOH A 223 25.656 29.440 35.737 1.00 36.63 O HETATM 2403 O HOH A 225 12.153 28.863 47.048 1.00 46.52 O HETATM 2404 O HOH A 227 -2.112 32.280 21.061 1.00 49.49 O HETATM 2405 O HOH A 230 9.939 31.224 43.992 1.00 34.43 O HETATM 2406 O HOH A 233 18.691 1.879 30.384 1.00 42.18 O HETATM 2407 O HOH A 236 20.779 26.418 19.824 1.00 53.01 O HETATM 2408 O HOH A 237 24.286 8.732 36.052 1.00 33.63 O HETATM 2409 O HOH A 240 5.353 29.239 50.936 1.00 49.02 O HETATM 2410 O HOH A 242 12.343 15.786 37.517 1.00 57.53 O HETATM 2411 O HOH A 244 0.992 6.685 29.413 1.00 49.60 O HETATM 2412 O AHOH A 245 7.442 9.348 26.330 0.50 24.56 O HETATM 2413 O BHOH A 245 6.151 10.387 25.315 0.50 22.61 O HETATM 2414 O HOH A 247 20.028 24.232 47.663 1.00 43.53 O HETATM 2415 O HOH A 248 -1.121 18.741 22.852 1.00 41.74 O HETATM 2416 O HOH A 249 23.424 24.251 21.499 1.00 41.18 O HETATM 2417 O HOH A 252 2.806 16.343 23.756 1.00 35.09 O HETATM 2418 O HOH A 254 11.499 10.676 46.399 1.00 35.94 O HETATM 2419 O HOH A 255 13.739 15.444 46.193 1.00 37.37 O HETATM 2420 O AHOH A 257 15.043 35.880 30.362 0.50 16.61 O HETATM 2421 O BHOH A 257 13.713 35.086 31.374 0.50 19.22 O HETATM 2422 O HOH A 265 3.036 6.768 36.973 1.00 39.31 O HETATM 2423 O HOH A 267 2.763 11.280 25.692 1.00 39.70 O HETATM 2424 O HOH A 268 2.366 30.558 39.247 1.00 40.57 O HETATM 2425 O HOH A 269 17.895 14.618 21.337 1.00 43.16 O HETATM 2426 O HOH A 272 25.016 1.765 40.346 1.00 48.48 O HETATM 2427 O AHOH A 273 21.831 12.624 30.506 0.50 23.34 O HETATM 2428 O BHOH A 273 22.885 13.695 29.263 0.50 24.69 O HETATM 2429 O HOH A 275 13.244 26.520 48.684 1.00 42.54 O HETATM 2430 O HOH A 277 22.207 19.457 21.043 1.00 45.16 O HETATM 2431 O HOH A 279 5.820 12.729 26.155 1.00 28.41 O HETATM 2432 O HOH A 285 -4.805 29.049 24.044 1.00 50.02 O HETATM 2433 O HOH A 286 11.614 36.694 30.187 1.00 39.13 O HETATM 2434 O HOH A 287 9.186 36.605 31.198 1.00 39.86 O HETATM 2435 O HOH A 288 11.411 11.126 54.907 1.00 57.39 O HETATM 2436 O HOH A 291 18.720 5.492 39.332 1.00 39.83 O HETATM 2437 O HOH A 292 9.479 13.005 26.578 1.00 22.48 O HETATM 2438 O HOH A 293 8.927 32.235 34.990 1.00 26.58 O HETATM 2439 O HOH A 294 17.657 5.486 35.336 1.00 38.93 O HETATM 2440 O HOH A 296 -1.509 7.456 30.225 1.00 31.28 O HETATM 2441 O HOH A 298 4.017 3.836 46.430 1.00 29.79 O HETATM 2442 O HOH A 300 -0.570 35.654 26.114 1.00 29.24 O HETATM 2443 O HOH A 307 18.645 33.286 42.188 1.00 32.77 O HETATM 2444 O HOH A 308 -6.005 28.694 27.349 1.00 22.39 O HETATM 2445 O HOH A 311 0.290 28.518 21.813 1.00 27.81 O HETATM 2446 O HOH A 315 6.460 36.315 28.741 1.00 26.94 O HETATM 2447 O HOH A 316 14.610 28.567 19.865 1.00 26.63 O HETATM 2448 O HOH A 318 23.177 25.152 38.268 1.00 24.59 O HETATM 2449 O HOH A 321 17.283 26.487 46.466 1.00 36.62 O HETATM 2450 O HOH A 322 0.753 8.991 27.665 1.00 36.88 O HETATM 2451 O HOH A 324 14.622 14.517 36.724 1.00 26.60 O HETATM 2452 O HOH A 327 -3.520 18.120 26.631 1.00 29.02 O HETATM 2453 O HOH A 328 7.984 28.220 45.675 1.00 26.61 O HETATM 2454 O HOH A 329 12.162 37.999 24.528 1.00 34.60 O HETATM 2455 O HOH A 330 12.097 28.100 18.745 1.00 30.22 O HETATM 2456 O HOH A 331 4.152 5.108 43.969 1.00 32.03 O HETATM 2457 O HOH A 334 9.497 22.804 49.940 1.00 32.87 O HETATM 2458 O HOH A 336 5.623 29.220 46.502 1.00 28.02 O HETATM 2459 O HOH A 337 11.840 25.527 19.828 1.00 28.63 O HETATM 2460 O HOH A 338 7.569 7.652 30.997 1.00 34.62 O HETATM 2461 O HOH A 339 0.929 32.604 36.605 1.00 30.44 O HETATM 2462 O HOH A 340 -5.301 20.428 26.860 1.00 21.11 O HETATM 2463 O HOH A 341 9.827 18.689 43.271 1.00 23.98 O HETATM 2464 O HOH A 344 11.791 12.657 57.063 1.00 43.82 O HETATM 2465 O HOH A 345 4.812 6.716 31.084 1.00 41.74 O HETATM 2466 O HOH A 346 28.793 19.310 35.014 1.00 28.56 O HETATM 2467 O HOH A 347 4.933 6.508 35.257 1.00 31.50 O HETATM 2468 O HOH A 349 10.760 33.892 35.959 1.00 32.90 O HETATM 2469 O HOH A 350 21.054 32.504 27.208 1.00 26.49 O HETATM 2470 O HOH A 351 25.857 25.312 38.021 1.00 43.03 O HETATM 2471 O HOH A 352 0.228 6.247 43.086 1.00 29.27 O HETATM 2472 O HOH A 356 7.762 34.425 31.522 1.00 26.14 O HETATM 2473 O HOH A 358 -3.351 15.372 33.101 1.00 31.11 O HETATM 2474 O HOH A 359 14.237 34.481 25.738 1.00 28.26 O HETATM 2475 O HOH A 361 20.919 5.200 31.199 1.00 50.43 O HETATM 2476 O HOH A 362 -0.985 32.111 32.649 1.00 30.48 O HETATM 2477 C1 GOL B 146 -8.405 17.659 47.230 1.00 31.53 C HETATM 2478 O1 GOL B 146 -7.824 16.414 46.931 1.00 25.69 O HETATM 2479 C2 GOL B 146 -9.347 18.109 46.110 1.00 33.04 C HETATM 2480 O2 GOL B 146 -10.205 17.090 45.657 1.00 22.93 O HETATM 2481 C3 GOL B 146 -8.563 18.493 44.885 1.00 40.58 C HETATM 2482 O3 GOL B 146 -7.972 19.773 45.048 1.00 47.45 O HETATM 0 HO3 GOL B 146 -7.154 19.730 44.863 1.00 47.45 H new HETATM 0 HO2 GOL B 146 -9.846 16.686 45.014 1.00 22.93 H new HETATM 0 HO1 GOL B 146 -7.311 16.187 47.556 1.00 25.69 H new HETATM 0 H32 GOL B 146 -7.873 17.832 44.717 1.00 40.58 H new HETATM 0 H31 GOL B 146 -9.147 18.497 44.110 1.00 40.58 H new HETATM 0 H2 GOL B 146 -9.852 18.841 46.498 1.00 33.04 H new HETATM 0 H12 GOL B 146 -8.895 17.599 48.065 1.00 31.53 H new HETATM 0 H11 GOL B 146 -7.709 18.322 47.357 1.00 31.53 H new HETATM 2483 O HOH B 147 -2.422 10.259 33.505 1.00 24.64 O HETATM 2484 O HOH B 149 -14.162 14.843 47.073 1.00 20.64 O HETATM 2485 O HOH B 150 -1.122 25.508 67.300 1.00 26.69 O HETATM 2486 O HOH B 151 -11.356 15.985 62.239 1.00 38.63 O HETATM 2487 O HOH B 152 5.259 13.825 47.146 1.00 15.21 O HETATM 2488 O HOH B 153 4.891 28.496 61.254 1.00 39.45 O HETATM 2489 O HOH B 154 6.624 16.128 46.362 1.00 17.03 O HETATM 2490 O HOH B 155 2.860 13.006 46.199 1.00 17.69 O HETATM 2491 O HOH B 156 4.860 21.903 49.163 1.00 19.20 O HETATM 2492 O HOH B 157 -1.201 34.087 44.605 1.00 39.46 O HETATM 2493 O HOH B 158 -10.332 29.326 55.709 1.00 35.12 O HETATM 2494 O HOH B 159 4.200 26.158 50.842 1.00 44.52 O HETATM 2495 O HOH B 160 -21.834 14.137 35.167 1.00 30.16 O HETATM 2496 O HOH B 161 0.089 13.749 45.574 1.00 19.37 O HETATM 2497 O HOH B 162 -15.536 17.072 31.683 1.00 32.54 O HETATM 2498 O HOH B 163 -0.874 19.471 69.909 1.00 46.17 O HETATM 2499 O HOH B 164 -11.763 28.280 30.843 1.00 39.02 O HETATM 2500 O HOH B 165 -12.131 18.197 44.033 1.00 20.09 O HETATM 2501 O HOH B 166 5.318 19.833 61.446 1.00 37.44 O HETATM 2502 O HOH B 167 -5.024 26.098 23.860 1.00 35.61 O HETATM 2503 O HOH B 168 1.701 28.137 39.599 1.00 17.48 O HETATM 2504 O HOH B 169 5.408 31.061 42.756 1.00 36.16 O HETATM 2505 O HOH B 170 -15.547 8.645 34.553 1.00 20.59 O HETATM 2506 O HOH B 171 1.599 6.622 60.002 1.00 22.73 O HETATM 2507 O HOH B 173 -20.486 25.806 39.710 1.00 24.67 O HETATM 2508 O HOH B 174 -3.130 28.797 52.607 1.00 26.65 O HETATM 2509 O HOH B 175 3.882 29.722 44.435 1.00 20.06 O HETATM 2510 O HOH B 176 -6.148 21.378 60.874 1.00 25.54 O HETATM 2511 O HOH B 177 -25.494 14.286 48.596 1.00 40.77 O HETATM 2512 O HOH B 178 -24.034 18.724 42.296 1.00 32.08 O HETATM 2513 O HOH B 179 -8.836 27.124 25.735 1.00 43.57 O HETATM 2514 O HOH B 180 -0.773 29.972 51.823 1.00 34.86 O HETATM 2515 O HOH B 182 2.505 9.004 56.999 1.00 32.05 O HETATM 2516 O HOH B 183 -21.612 7.208 46.891 1.00 45.58 O HETATM 2517 O HOH B 184 -2.426 14.717 48.767 1.00 33.85 O HETATM 2518 O HOH B 185 -14.395 18.893 56.328 1.00 36.92 O HETATM 2519 O HOH B 186 9.560 6.644 55.869 1.00 41.50 O HETATM 2520 O HOH B 187 -3.824 33.237 46.038 1.00 29.30 O HETATM 2521 O HOH B 188 -2.003 10.038 65.864 1.00 35.93 O HETATM 2522 O HOH B 190 -4.885 17.740 49.235 1.00 52.94 O HETATM 2523 O HOH B 192 -7.056 16.192 29.295 1.00 33.94 O HETATM 2524 O HOH B 193 -9.708 29.342 46.863 1.00 20.67 O HETATM 2525 O HOH B 195 -0.100 9.711 58.193 1.00 32.01 O HETATM 2526 O HOH B 196 -4.611 18.502 62.085 1.00 25.98 O HETATM 2527 O HOH B 197 -16.776 11.970 36.034 1.00 18.12 O HETATM 2528 O HOH B 199 -2.837 7.765 51.201 1.00 37.79 O HETATM 2529 O HOH B 200 -21.197 7.935 49.440 1.00 42.82 O HETATM 2530 O HOH B 201 -18.144 34.287 46.302 1.00 44.42 O HETATM 2531 O HOH B 202 3.789 8.094 54.067 1.00 43.94 O HETATM 2532 O HOH B 203 -0.064 11.900 56.612 1.00 45.03 O HETATM 2533 O HOH B 204 -12.837 2.427 38.979 1.00 43.65 O HETATM 2534 O HOH B 205 -25.032 11.492 45.145 1.00 29.10 O HETATM 2535 O HOH B 206 -2.348 12.853 45.999 1.00 19.39 O HETATM 2536 O HOH B 207 -16.634 31.375 51.576 1.00 26.13 O HETATM 2537 O HOH B 209 -3.989 30.444 54.589 1.00 29.91 O HETATM 2538 O HOH B 210 -25.487 7.906 42.346 1.00 41.78 O HETATM 2539 O HOH B 212 -11.510 30.875 53.827 1.00 30.50 O HETATM 2540 O HOH B 213 -2.575 21.658 68.711 1.00 38.77 O HETATM 2541 O HOH B 214 -7.755 13.147 62.038 1.00 52.01 O HETATM 2542 O HOH B 215 -1.060 6.494 64.842 1.00 17.32 O HETATM 2543 O HOH B 216 -1.211 7.606 41.109 1.00 31.25 O HETATM 2544 O HOH B 217 -26.344 13.591 46.251 1.00 35.96 O HETATM 2545 O HOH B 218 13.133 19.966 51.005 1.00 40.06 O HETATM 2546 O HOH B 220 -6.348 3.735 45.694 1.00 44.54 O HETATM 2547 O HOH B 221 -8.707 21.833 46.575 1.00 30.26 O HETATM 2548 O HOH B 222 -23.994 12.632 34.585 1.00 35.72 O HETATM 2549 O HOH B 224 -25.115 17.024 40.390 1.00 33.83 O HETATM 2550 O HOH B 225 0.275 26.787 63.874 1.00 25.73 O HETATM 2551 O HOH B 226 -26.797 15.275 44.185 1.00 41.15 O HETATM 2552 O HOH B 227 -2.163 6.049 44.221 1.00 24.76 O HETATM 2553 O HOH B 228 -23.598 24.901 51.763 1.00 38.97 O HETATM 2554 O HOH B 229 -5.218 5.176 49.768 1.00 32.12 O HETATM 2555 O HOH B 231 5.757 24.170 50.041 1.00 49.92 O HETATM 2556 O HOH B 232 -16.879 8.355 48.658 1.00 32.79 O HETATM 2557 O HOH B 234 6.871 24.406 62.288 1.00 44.95 O HETATM 2558 O HOH B 235 -6.478 10.202 62.765 1.00 38.42 O HETATM 2559 O HOH B 236 -3.549 7.840 37.182 1.00 33.53 O HETATM 2560 O HOH B 237 10.734 18.814 50.588 1.00 22.63 O HETATM 2561 O HOH B 238 -9.924 28.823 28.048 1.00 46.53 O HETATM 2562 O HOH B 239 -5.695 16.485 69.100 1.00 48.96 O HETATM 2563 O HOH B 241 -25.872 17.698 43.783 1.00 46.75 O HETATM 2564 O HOH B 242 -1.341 9.910 50.835 1.00 32.42 O HETATM 2565 O HOH B 243 -21.499 28.123 39.572 1.00 36.60 O HETATM 2566 O HOH B 244 -10.938 30.371 32.210 1.00 32.40 O HETATM 2567 O HOH B 245 -24.265 12.588 41.767 1.00 23.61 O HETATM 2568 O HOH B 246 6.254 7.048 53.653 1.00 60.06 O HETATM 2569 O HOH B 247 -3.468 10.997 48.862 1.00 28.37 O HETATM 2570 O HOH B 249 -18.808 31.598 50.001 1.00 40.44 O HETATM 2571 O HOH B 250 -14.476 33.254 42.837 1.00 35.37 O HETATM 2572 O HOH B 251 -1.197 32.093 53.576 1.00 32.90 O HETATM 2573 O HOH B 252 8.496 20.380 50.509 1.00 21.75 O HETATM 2574 O HOH B 253 -6.558 15.554 49.090 1.00 41.34 O HETATM 2575 O HOH B 256 12.671 12.345 52.845 1.00 40.90 O HETATM 2576 O AHOH B 258 -0.305 15.655 70.880 0.50 23.73 O HETATM 2577 O BHOH B 258 -1.583 14.085 70.766 0.50 33.21 O HETATM 2578 O HOH B 259 9.456 11.538 68.731 1.00 52.27 O HETATM 2579 O HOH B 260 -7.814 12.547 56.186 1.00 38.87 O HETATM 2580 O HOH B 261 -10.943 10.880 58.183 1.00 43.58 O HETATM 2581 O HOH B 262 -6.209 22.061 24.299 1.00 42.56 O HETATM 2582 O HOH B 263 -6.004 13.224 54.373 1.00 40.22 O HETATM 2583 O HOH B 264 -4.542 19.818 69.151 1.00 36.24 O HETATM 2584 O HOH B 266 3.015 15.387 69.238 1.00 42.27 O HETATM 2585 O HOH B 268 1.887 26.811 51.911 1.00 23.93 O HETATM 2586 O HOH B 270 -19.323 14.907 31.864 1.00 48.55 O HETATM 2587 O HOH B 271 -24.595 10.135 38.263 1.00 44.26 O HETATM 2588 O HOH B 272 -18.365 28.269 53.225 1.00 31.47 O HETATM 2589 O HOH B 273 4.363 15.551 63.627 1.00 22.38 O HETATM 2590 O HOH B 274 -20.501 32.173 31.802 1.00 49.01 O HETATM 2591 O HOH B 276 7.038 19.069 67.522 1.00 50.17 O HETATM 2592 O HOH B 278 -3.430 27.767 63.883 1.00 34.70 O HETATM 2593 O HOH B 279 -9.658 3.722 44.417 1.00 26.70 O HETATM 2594 O HOH B 280 -13.925 29.251 30.510 1.00 36.37 O HETATM 2595 O HOH B 281 12.877 11.920 61.702 1.00 43.07 O HETATM 2596 O HOH B 282 -13.980 34.879 30.525 1.00 45.68 O HETATM 2597 O HOH B 283 -8.955 18.737 28.236 1.00 47.84 O HETATM 2598 O HOH B 284 -9.483 20.514 25.490 1.00 49.69 O HETATM 2599 O HOH B 285 -8.053 32.193 42.446 1.00 22.75 O HETATM 2600 O HOH B 286 -4.956 26.836 57.556 1.00 27.64 O HETATM 2601 O HOH B 287 3.469 13.928 65.608 1.00 24.57 O HETATM 2602 O HOH B 288 -14.100 16.622 57.661 1.00 26.06 O HETATM 2603 O HOH B 289 -16.704 20.246 57.240 1.00 29.80 O HETATM 2604 O HOH B 290 -21.862 22.174 54.368 1.00 31.65 O HETATM 2605 O HOH B 295 2.197 12.962 53.233 1.00 30.96 O HETATM 2606 O HOH B 297 11.650 15.074 58.304 1.00 30.91 O HETATM 2607 O HOH B 299 3.615 18.154 63.165 1.00 23.72 O HETATM 2608 O HOH B 301 -3.201 31.882 34.101 1.00 28.41 O HETATM 2609 O HOH B 302 -6.569 16.806 54.949 1.00 32.78 O HETATM 2610 O HOH B 303 -22.110 11.933 51.348 1.00 31.90 O HETATM 2611 O HOH B 304 -3.198 32.253 36.950 1.00 24.99 O HETATM 2612 O HOH B 305 10.203 11.443 63.140 1.00 29.81 O HETATM 2613 O HOH B 306 4.309 25.820 62.928 1.00 34.99 O HETATM 2614 O HOH B 309 -15.841 4.078 39.846 1.00 30.51 O HETATM 2615 O HOH B 310 7.994 20.539 53.194 1.00 26.72 O HETATM 2616 O HOH B 312 -10.150 22.729 44.832 1.00 37.91 O HETATM 2617 O HOH B 313 -7.721 20.948 27.700 1.00 28.44 O HETATM 2618 O HOH B 314 -9.201 27.026 56.425 1.00 27.28 O HETATM 2619 O HOH B 317 -7.142 17.768 51.759 1.00 36.34 O HETATM 2620 O HOH B 319 -5.036 3.873 42.805 1.00 33.15 O HETATM 2621 O HOH B 320 -1.034 33.030 38.375 1.00 35.51 O HETATM 2622 O HOH B 323 -5.987 13.227 47.609 1.00 33.85 O HETATM 2623 O HOH B 325 -7.373 14.598 67.043 1.00 34.41 O HETATM 2624 O HOH B 326 -22.193 16.656 34.127 1.00 28.74 O HETATM 2625 O HOH B 332 -19.579 7.593 44.806 1.00 33.81 O HETATM 2626 O HOH B 333 -7.735 32.556 45.056 1.00 23.66 O HETATM 2627 O HOH B 335 -25.918 14.636 41.444 1.00 22.52 O HETATM 2628 O HOH B 342 -9.075 28.961 49.780 1.00 21.75 O HETATM 2629 O HOH B 343 10.167 19.365 54.284 1.00 27.23 O HETATM 2630 O HOH B 348 5.652 22.141 59.111 1.00 38.92 O HETATM 2631 O HOH B 353 -5.738 33.115 35.898 1.00 29.52 O HETATM 2632 O HOH B 354 -18.183 10.614 34.145 1.00 35.29 O HETATM 2633 O HOH B 355 -24.481 13.053 50.733 1.00 42.70 O HETATM 2634 O HOH B 357 -3.397 27.335 59.698 1.00 47.48 O HETATM 2635 O HOH B 360 -8.620 31.755 30.621 1.00 39.29 O HETATM 2636 O HOH B 363 10.500 19.140 56.969 1.00 26.70 O HETATM 2637 O HOH B 364 -25.591 22.308 41.063 1.00 31.91 O CONECT 3 5 CONECT 5 3 6 CONECT 6 5 7 9 CONECT 7 6 8 13 CONECT 8 7 CONECT 9 6 10 CONECT 10 9 11 CONECT 11 10 12 CONECT 12 11 CONECT 13 7 CONECT 681 686 CONECT 686 681 687 CONECT 687 686 688 690 CONECT 688 687 689 694 CONECT 689 688 CONECT 690 687 691 CONECT 691 690 692 CONECT 692 691 693 CONECT 693 692 CONECT 694 688 CONECT 870 877 CONECT 877 870 878 CONECT 878 877 879 881 CONECT 879 878 880 885 CONECT 880 879 CONECT 881 878 882 CONECT 882 881 883 CONECT 883 882 884 CONECT 884 883 CONECT 885 879 CONECT 1154 1155 CONECT 1155 1154 1156 1158 CONECT 1156 1155 1157 1162 CONECT 1157 1156 CONECT 1158 1155 1159 CONECT 1159 1158 1160 CONECT 1160 1159 1161 CONECT 1161 1160 CONECT 1162 1156 CONECT 1856 1861 CONECT 1861 1856 1862 CONECT 1862 1861 1863 1865 CONECT 1863 1862 1864 1869 CONECT 1864 1863 CONECT 1865 1862 1866 CONECT 1866 1865 1867 CONECT 1867 1866 1868 CONECT 1868 1867 CONECT 1869 1863 CONECT 2056 2063 CONECT 2063 2056 2064 CONECT 2064 2063 2065 2067 CONECT 2065 2064 2066 2071 CONECT 2066 2065 CONECT 2067 2064 2068 CONECT 2068 2067 2069 CONECT 2069 2068 2070 CONECT 2070 2069 CONECT 2071 2065 CONECT 2336 2337 2338 CONECT 2337 2336 CONECT 2338 2336 2339 2340 CONECT 2339 2338 CONECT 2340 2338 2341 CONECT 2341 2340 CONECT 2477 2478 2479 CONECT 2478 2477 CONECT 2479 2477 2480 2481 CONECT 2480 2479 CONECT 2481 2479 2482 CONECT 2482 2481 END