USER MOD reduce.3.24.130724 H: found=0, std=0, add=3231, rem=0, adj=94 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 17-SEP-07 2RAS TITLE CRYSTAL STRUCTURE OF A PUTATIVE TETR/ACRR FAMILY TRANSCRIPTIONAL TITLE 2 REGULATOR (SARO_0558) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM AT TITLE 3 1.80 A RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, TETR FAMILY; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; SOURCE 3 ORGANISM_TAXID: 279238; SOURCE 4 STRAIN: DSM 12444; SOURCE 5 GENE: YP_495839.1, SARO_0558; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: SPEEDET KEYWDS BACTERIAL REGULATORY PROTEINS, TETR FAMILY, DNA-BINDING, DNA/RNA- KEYWDS 2 BINDING 3-HELICAL BUNDLE FOLD, HELIX TURN HELIX MOTIF, HTH MOTIF, KEYWDS 3 TRANSCRIPTION REGULATOR, TRANSCRIPTION REGULATION, STRUCTURAL KEYWDS 4 GENOMICS, JOINT CENTER FOR STRUCTURAL GENOMICS, JCSG, PROTEIN KEYWDS 5 STRUCTURE INITIATIVE, PSI-2, TRANSCRIPTION EXPDTA X-RAY DIFFRACTION AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) REVDAT 4 13-JUL-11 2RAS 1 VERSN REVDAT 3 23-MAR-11 2RAS 1 TITLE KEYWDS REVDAT 2 24-FEB-09 2RAS 1 VERSN REVDAT 1 16-OCT-07 2RAS 0 JRNL AUTH JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) JRNL TITL CRYSTAL STRUCTURE OF PREDICTED TRANSCRIPTIONAL REGULATOR OF JRNL TITL 2 TETR/ACRR FAMILY (YP_495839.1) FROM NOVOSPHINGOBIUM JRNL TITL 3 AROMATICIVORANS DSM 12444 AT 1.80 A RESOLUTION JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.80 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) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.71 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.8 REMARK 3 NUMBER OF REFLECTIONS : 47877 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) : 0.178 REMARK 3 R VALUE (WORKING SET) : 0.177 REMARK 3 FREE R VALUE : 0.206 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2413 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) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.85 REMARK 3 REFLECTION IN BIN (WORKING SET) : 3271 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.51 REMARK 3 BIN R VALUE (WORKING SET) : 0.2500 REMARK 3 BIN FREE R VALUE SET COUNT : 161 REMARK 3 BIN FREE R VALUE : 0.3210 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 3133 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 58 REMARK 3 SOLVENT ATOMS : 353 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : 27.39 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 34.36 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.13000 REMARK 3 B22 (A**2) : -0.23000 REMARK 3 B33 (A**2) : -1.89000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.111 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.107 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.081 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 5.258 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.966 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.950 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3342 ; 0.015 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): 2311 ; 0.004 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4517 ; 1.422 ; 1.964 REMARK 3 BOND ANGLES OTHERS (DEGREES): 5571 ; 1.427 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 438 ; 3.534 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 166 ;26.800 ;23.072 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 558 ;11.949 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 36 ;15.251 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 498 ; 0.094 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3796 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 736 ; 0.003 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 716 ; 0.192 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 2378 ; 0.145 ; 0.200 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1645 ; 0.162 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): 1640 ; 0.075 ; 0.200 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 280 ; 0.124 ; 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): 12 ; 0.098 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): 66 ; 0.198 ; 0.200 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 25 ; 0.121 ; 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): 2131 ; 1.777 ; 3.000 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 839 ; 0.411 ; 3.000 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 3290 ; 2.571 ; 5.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1379 ; 4.459 ; 8.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1209 ; 6.269 ;11.000 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 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 5 A 204 REMARK 3 ORIGIN FOR THE GROUP (A): 14.1440 18.2240 20.7100 REMARK 3 T TENSOR REMARK 3 T11: -0.2051 T22: -0.1563 REMARK 3 T33: -0.1096 T12: -0.0177 REMARK 3 T13: -0.0110 T23: -0.0313 REMARK 3 L TENSOR REMARK 3 L11: 1.2931 L22: 0.9875 REMARK 3 L33: 1.8380 L12: -0.4127 REMARK 3 L13: -1.0422 L23: 0.3523 REMARK 3 S TENSOR REMARK 3 S11: -0.0269 S12: 0.0519 S13: 0.0904 REMARK 3 S21: -0.0767 S22: 0.1236 S23: -0.1979 REMARK 3 S31: 0.0703 S32: 0.0717 S33: -0.0967 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 5 B 208 REMARK 3 ORIGIN FOR THE GROUP (A): -13.3680 29.6120 22.2460 REMARK 3 T TENSOR REMARK 3 T11: -0.1968 T22: -0.1760 REMARK 3 T33: -0.1369 T12: -0.0124 REMARK 3 T13: 0.0008 T23: 0.0074 REMARK 3 L TENSOR REMARK 3 L11: 0.8706 L22: 1.3377 REMARK 3 L33: 2.4724 L12: -0.4458 REMARK 3 L13: 0.4644 L23: 0.1727 REMARK 3 S TENSOR REMARK 3 S11: -0.0276 S12: 0.0119 S13: 0.0059 REMARK 3 S21: -0.1250 S22: 0.0618 S23: 0.1824 REMARK 3 S31: -0.1444 S32: -0.2241 S33: -0.0342 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: REMARK 3 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. REMARK 3 2. ATOM RECORDS CONTAIN RESIDUAL B FACTORS ONLY. REMARK 3 3. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE REMARK 3 INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY REMARK 3 OF THE SE ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 REMARK 3 FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL S-MET REMARK 3 INCORPORATION. REMARK 3 4. RESIDUES 1-4 IN BOTH CHAINS, 205-211 IN CHAIN A, AND 209-211 REMARK 3 IN CHAIN B ARE DISORDERED AND NOT INCLUDED IN THE MODEL. REMARK 3 5. EDO MOLECULES FROM THE CRYO SOLUTION ARE MODELED. REMARK 3 6. THERE ARE UNEXPLAINED DENSITIES NEAR GLU-121 SUGGESTING REMARK 3 A MG ION COORDINATED BY WATERS. REMARK 4 REMARK 4 2RAS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-SEP-07. REMARK 100 THE RCSB ID CODE IS RCSB044635. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-JUL-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.8 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL11-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.91837, 0.97925, 0.97901 REMARK 200 MONOCHROMATOR : SINGLE CRYSTAL SI(111) BENT REMARK 200 (HORIZONTAL FOCUSING) REMARK 200 OPTICS : FLAT MIRROR (VERTICAL FOCUSING) REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 325 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 47914 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 29.709 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.7 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.03400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 14.0100 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.9 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.43200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.000 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 (%): 53.38 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.64 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NANODROP, 0.2M MGCL2, 20.0% PEG 3350, REMARK 280 NO BUFFER PH 5.8, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 32.25000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 52.05000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 38.21000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 52.05000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 32.25000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 38.21000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION REMARK 300 ON BURIED SURFACE AREA. REMARK 300 SIZE EXCLUSION CHROMATOGRAPHY SUPPORTS THE ASSIGNMENT REMARK 300 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: 3260 ANGSTROM**2 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 GLY A 0 REMARK 465 MSE A 1 REMARK 465 ALA A 2 REMARK 465 SER A 3 REMARK 465 SER A 4 REMARK 465 LEU A 205 REMARK 465 THR A 206 REMARK 465 GLY A 207 REMARK 465 LEU A 208 REMARK 465 ARG A 209 REMARK 465 ALA A 210 REMARK 465 ALA A 211 REMARK 465 GLY B 0 REMARK 465 MSE B 1 REMARK 465 ALA B 2 REMARK 465 SER B 3 REMARK 465 SER B 4 REMARK 465 ARG B 209 REMARK 465 ALA B 210 REMARK 465 ALA B 211 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 GLU A 7 CG CD OE1 OE2 REMARK 470 ARG A 49 CG CD NE CZ NH1 NH2 REMARK 470 GLU A 52 CG CD OE1 OE2 REMARK 470 ASP A 80 CG OD1 OD2 REMARK 470 THR B 6 OG1 CG2 REMARK 470 GLU B 7 CG CD OE1 OE2 REMARK 470 ARG B 14 CG CD NE CZ NH1 NH2 REMARK 470 ASP B 17 OD1 REMARK 470 THR B 32 OG1 CG2 REMARK 470 LEU B 33 CG CD1 CD2 REMARK 470 SER B 34 OG REMARK 470 SER B 43 OG REMARK 470 ASN B 46 CG OD1 REMARK 470 SER B 48 OG REMARK 470 ARG B 49 CG CD NE CZ NH1 NH2 REMARK 470 GLU B 55 CG CD OE1 OE2 REMARK 470 GLU B 59 CD OE1 OE2 REMARK 470 TYR B 64 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 LYS B 108 CG CD CE NZ REMARK 470 LEU B 205 CG CD1 CD2 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 A 54 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG A 54 NE - CZ - NH2 ANGL. DEV. = -3.2 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 ASP A 105 106.28 -166.29 REMARK 500 CYS A 167 -59.93 -141.65 REMARK 500 CYS B 167 -52.66 -142.43 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 343 DISTANCE = 5.78 ANGSTROMS REMARK 525 HOH B 279 DISTANCE = 5.05 ANGSTROMS REMARK 525 HOH B 344 DISTANCE = 5.72 ANGSTROMS REMARK 525 HOH B 346 DISTANCE = 5.37 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 212 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 213 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO B 212 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO B 213 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO B 214 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 214 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 215 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO B 215 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO B 216 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 216 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 217 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 218 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO B 217 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 219 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO B 218 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO B 219 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 376219 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 REMARK 999 LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE. DBREF 2RAS A 1 211 UNP Q2GAW8 Q2GAW8_NOVAD 1 211 DBREF 2RAS B 1 211 UNP Q2GAW8 Q2GAW8_NOVAD 1 211 SEQADV 2RAS GLY A 0 UNP Q2GAW8 LEADER SEQUENCE SEQADV 2RAS GLY B 0 UNP Q2GAW8 LEADER SEQUENCE SEQRES 1 A 212 GLY MSE ALA SER SER GLY THR GLU HIS ASP ALA MSE ARG SEQRES 2 A 212 ALA ARG LEU VAL ASP VAL ALA GLN ALA ILE VAL GLU GLU SEQRES 3 A 212 ARG GLY GLY ALA GLY LEU THR LEU SER GLU LEU ALA ALA SEQRES 4 A 212 ARG ALA GLY ILE SER GLN ALA ASN LEU SER ARG TYR PHE SEQRES 5 A 212 GLU THR ARG GLU ASP LEU MSE GLU ALA ILE ALA ASP TYR SEQRES 6 A 212 TRP PHE HIS PRO MSE VAL GLU ILE MSE GLU ASP VAL LEU SEQRES 7 A 212 ALA SER ASP LEU PRO PRO ARG ARG LYS MSE TYR GLU PHE SEQRES 8 A 212 PHE ALA ARG ARG PHE VAL VAL MSE ARG ARG LYS TRP GLU SEQRES 9 A 212 ALA ASP PRO VAL LYS LEU GLN THR TYR ILE GLU VAL GLY SEQRES 10 A 212 ASN ASP TYR PHE GLU GLN VAL ARG SER TYR ILE ASP LEU SEQRES 11 A 212 ALA ASP HIS TYR LEU GLY GLU ILE ILE GLY GLU ALA MSE SEQRES 12 A 212 SER ASP GLY ALA PHE SER GLY LEU GLU VAL ASP GLU THR SEQRES 13 A 212 ILE SER LEU VAL ASN GLN MSE CYS ALA PRO TYR CYS ALA SEQRES 14 A 212 LEU ASN THR MSE THR THR PHE MSE GLU ARG LEU SER GLU SEQRES 15 A 212 ASP LYS LEU ALA ARG ILE VAL ASP ALA VAL PHE ASP GLY SEQRES 16 A 212 LEU SER ALA GLN ASP ARG GLY ALA ARG SER LEU THR GLY SEQRES 17 A 212 LEU ARG ALA ALA SEQRES 1 B 212 GLY MSE ALA SER SER GLY THR GLU HIS ASP ALA MSE ARG SEQRES 2 B 212 ALA ARG LEU VAL ASP VAL ALA GLN ALA ILE VAL GLU GLU SEQRES 3 B 212 ARG GLY GLY ALA GLY LEU THR LEU SER GLU LEU ALA ALA SEQRES 4 B 212 ARG ALA GLY ILE SER GLN ALA ASN LEU SER ARG TYR PHE SEQRES 5 B 212 GLU THR ARG GLU ASP LEU MSE GLU ALA ILE ALA ASP TYR SEQRES 6 B 212 TRP PHE HIS PRO MSE VAL GLU ILE MSE GLU ASP VAL LEU SEQRES 7 B 212 ALA SER ASP LEU PRO PRO ARG ARG LYS MSE TYR GLU PHE SEQRES 8 B 212 PHE ALA ARG ARG PHE VAL VAL MSE ARG ARG LYS TRP GLU SEQRES 9 B 212 ALA ASP PRO VAL LYS LEU GLN THR TYR ILE GLU VAL GLY SEQRES 10 B 212 ASN ASP TYR PHE GLU GLN VAL ARG SER TYR ILE ASP LEU SEQRES 11 B 212 ALA ASP HIS TYR LEU GLY GLU ILE ILE GLY GLU ALA MSE SEQRES 12 B 212 SER ASP GLY ALA PHE SER GLY LEU GLU VAL ASP GLU THR SEQRES 13 B 212 ILE SER LEU VAL ASN GLN MSE CYS ALA PRO TYR CYS ALA SEQRES 14 B 212 LEU ASN THR MSE THR THR PHE MSE GLU ARG LEU SER GLU SEQRES 15 B 212 ASP LYS LEU ALA ARG ILE VAL ASP ALA VAL PHE ASP GLY SEQRES 16 B 212 LEU SER ALA GLN ASP ARG GLY ALA ARG SER LEU THR GLY SEQRES 17 B 212 LEU ARG ALA ALA MODRES 2RAS MSE A 11 MET SELENOMETHIONINE MODRES 2RAS MSE A 58 MET SELENOMETHIONINE MODRES 2RAS MSE A 69 MET SELENOMETHIONINE MODRES 2RAS MSE A 73 MET SELENOMETHIONINE MODRES 2RAS MSE A 87 MET SELENOMETHIONINE MODRES 2RAS MSE A 98 MET SELENOMETHIONINE MODRES 2RAS MSE A 142 MET SELENOMETHIONINE MODRES 2RAS MSE A 162 MET SELENOMETHIONINE MODRES 2RAS MSE A 172 MET SELENOMETHIONINE MODRES 2RAS MSE A 176 MET SELENOMETHIONINE MODRES 2RAS MSE B 11 MET SELENOMETHIONINE MODRES 2RAS MSE B 58 MET SELENOMETHIONINE MODRES 2RAS MSE B 69 MET SELENOMETHIONINE MODRES 2RAS MSE B 73 MET SELENOMETHIONINE MODRES 2RAS MSE B 87 MET SELENOMETHIONINE MODRES 2RAS MSE B 98 MET SELENOMETHIONINE MODRES 2RAS MSE B 142 MET SELENOMETHIONINE MODRES 2RAS MSE B 162 MET SELENOMETHIONINE MODRES 2RAS MSE B 172 MET SELENOMETHIONINE MODRES 2RAS MSE B 176 MET SELENOMETHIONINE HET MSE A 11 8 HET MSE A 58 8 HET MSE A 69 8 HET MSE A 73 8 HET MSE A 87 8 HET MSE A 98 8 HET MSE A 142 8 HET MSE A 162 8 HET MSE A 172 8 HET MSE A 176 8 HET MSE B 11 8 HET MSE B 58 8 HET MSE B 69 8 HET MSE B 73 8 HET MSE B 87 8 HET MSE B 98 8 HET MSE B 142 8 HET MSE B 162 8 HET MSE B 172 8 HET MSE B 176 8 HET CL A 212 1 HET CL A 213 1 HET EDO B 212 4 HET EDO B 213 4 HET EDO B 214 4 HET EDO A 214 4 HET EDO A 215 4 HET EDO B 215 4 HET EDO B 216 4 HET EDO A 216 4 HET EDO A 217 4 HET EDO A 218 4 HET EDO B 217 4 HET EDO A 219 4 HET EDO B 218 4 HET EDO B 219 4 HETNAM MSE SELENOMETHIONINE HETNAM CL CHLORIDE ION HETNAM EDO 1,2-ETHANEDIOL HETSYN EDO ETHYLENE GLYCOL FORMUL 1 MSE 20(C5 H11 N O2 SE) FORMUL 3 CL 2(CL 1-) FORMUL 5 EDO 14(C2 H6 O2) FORMUL 19 HOH *353(H2 O) HELIX 1 1 GLY A 5 GLY A 27 1 23 HELIX 2 2 THR A 32 GLY A 41 1 10 HELIX 3 3 SER A 43 SER A 48 1 6 HELIX 4 4 THR A 53 TRP A 65 1 13 HELIX 5 5 PHE A 66 SER A 79 1 14 HELIX 6 6 PRO A 82 ASP A 105 1 24 HELIX 7 7 ASP A 105 TYR A 119 1 15 HELIX 8 8 TYR A 119 ASP A 144 1 26 HELIX 9 9 GLU A 151 CYS A 163 1 13 HELIX 10 10 ALA A 164 CYS A 167 5 4 HELIX 11 11 ALA A 168 MSE A 176 1 9 HELIX 12 12 GLU A 177 LEU A 179 5 3 HELIX 13 13 SER A 180 LEU A 195 1 16 HELIX 14 14 GLY B 5 GLY B 27 1 23 HELIX 15 15 GLY B 28 LEU B 31 5 4 HELIX 16 16 THR B 32 GLY B 41 1 10 HELIX 17 17 SER B 43 ARG B 49 1 7 HELIX 18 18 THR B 53 TRP B 65 1 13 HELIX 19 19 PHE B 66 SER B 79 1 14 HELIX 20 20 PRO B 82 ASP B 105 1 24 HELIX 21 21 ASP B 105 TYR B 119 1 15 HELIX 22 22 TYR B 119 GLY B 145 1 27 HELIX 23 23 GLU B 151 CYS B 163 1 13 HELIX 24 24 ALA B 164 CYS B 167 5 4 HELIX 25 25 ALA B 168 MSE B 176 1 9 HELIX 26 26 GLU B 177 LEU B 179 5 3 HELIX 27 27 SER B 180 LEU B 195 1 16 LINK C ALA A 10 N MSE A 11 1555 1555 1.34 LINK C MSE A 11 N ARG A 12 1555 1555 1.34 LINK C LEU A 57 N MSE A 58 1555 1555 1.33 LINK C MSE A 58 N GLU A 59 1555 1555 1.34 LINK C PRO A 68 N MSE A 69 1555 1555 1.34 LINK C MSE A 69 N VAL A 70 1555 1555 1.34 LINK C ILE A 72 N MSE A 73 1555 1555 1.33 LINK C MSE A 73 N GLU A 74 1555 1555 1.33 LINK C LYS A 86 N MSE A 87 1555 1555 1.34 LINK C MSE A 87 N TYR A 88 1555 1555 1.33 LINK C VAL A 97 N MSE A 98 1555 1555 1.33 LINK C MSE A 98 N ARG A 99 1555 1555 1.34 LINK C ALA A 141 N MSE A 142 1555 1555 1.34 LINK C MSE A 142 N SER A 143 1555 1555 1.33 LINK C GLN A 161 N MSE A 162 1555 1555 1.33 LINK C MSE A 162 N CYS A 163 1555 1555 1.34 LINK C THR A 171 N MSE A 172 1555 1555 1.33 LINK C MSE A 172 N THR A 173 1555 1555 1.33 LINK C PHE A 175 N MSE A 176 1555 1555 1.34 LINK C MSE A 176 N GLU A 177 1555 1555 1.33 LINK C ALA B 10 N MSE B 11 1555 1555 1.34 LINK C MSE B 11 N ARG B 12 1555 1555 1.34 LINK C LEU B 57 N MSE B 58 1555 1555 1.34 LINK C MSE B 58 N GLU B 59 1555 1555 1.33 LINK C PRO B 68 N MSE B 69 1555 1555 1.34 LINK C MSE B 69 N VAL B 70 1555 1555 1.34 LINK C ILE B 72 N MSE B 73 1555 1555 1.34 LINK C MSE B 73 N GLU B 74 1555 1555 1.33 LINK C LYS B 86 N MSE B 87 1555 1555 1.33 LINK C MSE B 87 N TYR B 88 1555 1555 1.34 LINK C VAL B 97 N MSE B 98 1555 1555 1.32 LINK C MSE B 98 N ARG B 99 1555 1555 1.33 LINK C ALA B 141 N MSE B 142 1555 1555 1.34 LINK C MSE B 142 N SER B 143 1555 1555 1.33 LINK C GLN B 161 N MSE B 162 1555 1555 1.33 LINK C MSE B 162 N CYS B 163 1555 1555 1.33 LINK C THR B 171 N MSE B 172 1555 1555 1.33 LINK C MSE B 172 N THR B 173 1555 1555 1.34 LINK C PHE B 175 N MSE B 176 1555 1555 1.34 LINK C MSE B 176 N GLU B 177 1555 1555 1.33 SITE *** AC1 4 ARG A 178 SER B 157 GLN B 161 HOH B 348 SITE *** AC2 4 SER A 157 GLN A 161 HOH A 376 ARG B 178 SITE *** AC3 6 ASP A 153 GLU A 154 SER A 157 LYS B 183 SITE *** AC3 6 HOH B 225 HOH B 241 SITE *** AC4 5 GLU A 154 LYS B 183 ARG B 186 HOH B 237 SITE *** AC4 5 HOH B 243 SITE *** AC5 4 LYS A 183 ARG A 186 LEU B 150 GLU B 154 SITE *** AC6 5 LEU A 77 LYS A 86 GLU A 136 GLU A 140 SITE *** AC6 5 HOH A 231 SITE *** AC7 6 HOH A 267 HOH A 350 VAL B 70 SER B 125 SITE *** AC7 6 LEU B 129 HOH B 319 SITE *** AC8 7 ARG A 124 HOH A 240 GLY B 135 GLU B 136 SITE *** AC8 7 VAL B 152 HOH B 258 HOH B 286 SITE *** AC9 6 VAL A 152 HOH A 333 GLU B 121 EDO B 218 SITE *** AC9 6 HOH B 240 HOH B 294 SITE *** BC1 6 ARG A 94 ALA A 130 CYS A 167 HOH A 358 SITE *** BC1 6 HOH A 394 HOH A 404 SITE *** BC2 5 LYS A 183 HOH A 406 ASP B 153 GLU B 154 SITE *** BC2 5 SER B 157 SITE *** BC3 4 ASP A 193 SER A 196 ARG A 200 HOH A 304 SITE *** BC4 3 ASP B 193 ARG B 200 HOH B 298 SITE *** BC5 2 GLY A 201 SER A 204 SITE *** BC6 6 MSE A 142 SER A 143 HOH A 222 PHE B 120 SITE *** BC6 6 EDO B 216 HOH B 294 SITE *** BC7 6 SER A 125 LEU A 129 HOH A 301 HIS B 132 SITE *** BC7 6 GLU B 136 HOH B 381 CRYST1 64.500 76.420 104.100 90.00 90.00 90.00 P 21 21 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.015504 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013086 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009606 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 157 SER OG : rot 48:sc= 2.08 USER MOD Set 1.2: B 183 LYS NZ :NH3+ -165:sc= 1.9 (180deg=0.406) USER MOD Set 1.3: B 212 EDO O1 : rot 180:sc= 0.0154 USER MOD Set 1.4: B 212 EDO O2 : rot 150:sc= 0 USER MOD Set 2.1: A 171 THR OG1 : rot 180:sc= 1.1 USER MOD Set 2.2: B 171 THR OG1 : rot -101:sc= 2.37 USER MOD Set 3.1: A 161 GLN : amide:sc= 1.68 K(o=3,f=-1.3) USER MOD Set 3.2: B 166 TYR OH : rot 159:sc= 1.3 USER MOD Set 4.1: A 183 LYS NZ :NH3+ -175:sc= 1.44 (180deg=0.153) USER MOD Set 4.2: A 217 EDO O1 : rot 180:sc= 0.00706 USER MOD Set 4.3: A 217 EDO O2 : rot 150:sc= 0.311 USER MOD Set 4.4: B 157 SER OG : rot 30:sc= 2.3 USER MOD Set 5.1: B 132 HIS : no HE2:sc= 1.37 K(o=2.6,f=-8.2!) USER MOD Set 5.2: B 219 EDO O2 : rot -55:sc= 1.19 USER MOD Set 6.1: A 167 CYS SG A: rot 137:sc= 1.36 USER MOD Set 6.2: A 216 EDO O1 : rot 82:sc= 0.00085 USER MOD Set 6.3: A 216 EDO O2 : rot 52:sc= 0.421 USER MOD Set 7.1: A 86 LYS NZ :NH3+ 169:sc= 1.21 (180deg=0) USER MOD Set 7.2: A 214 EDO O1 : rot 135:sc= 1.13 USER MOD Set 7.3: A 214 EDO O2 : rot -130:sc= 0.593 USER MOD Set 8.1: A 166 TYR OH : rot 159:sc= 0.898 USER MOD Set 8.2: B 161 GLN : amide:sc= 1.37 K(o=2.3,f=-1.7) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -0.0315 X(o=-0.031,f=-0.52) USER MOD Single : A 20 GLN : amide:sc= -0.0246 X(o=-0.025,f=-0.2) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.203 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0247 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 48 SER OG : rot -28:sc= 1.11 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0706 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 64 TYR OH : rot 120:sc= 1.04 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 79 SER OG : rot -66:sc= 1.29 USER MOD Single : A 88 TYR OH : rot -161:sc= 1.09 USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= 1.2 (180deg=0.7) USER MOD Single : A 108 LYS NZ :NH3+ 175:sc= -0.42 (180deg=-0.431) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 111 THR OG1 : rot 76:sc= 0.426 USER MOD Single : A 112 TYR OH : rot -7:sc= 1.46 USER MOD Single : A 117 ASN : amide:sc= -0.0124 K(o=-0.012,f=-0.94) USER MOD Single : A 119 TYR OH : rot -29:sc= 1.09 USER MOD Single : A 122 GLN : amide:sc= 0.796 K(o=0.8,f=-3.9!) USER MOD Single : A 125 SER OG : rot -84:sc= 0.152 USER MOD Single : A 126 TYR OH : rot 153:sc= 1.66 USER MOD Single : A 132 HIS : no HD1:sc= 0.941 K(o=0.94,f=0.056) USER MOD Single : A 133 TYR OH : rot -162:sc= 1.11 USER MOD Single : A 143 SER OG : rot -56:sc= 1.34 USER MOD Single : A 148 SER OG A: rot 180:sc= 0 USER MOD Single : A 148 SER OG B: rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 77:sc= 0.866 USER MOD Single : A 160 ASN : amide:sc= 1.23 K(o=1.2,f=-0.022) USER MOD Single : A 163 CYS SG : rot 179:sc= 0.00326 USER MOD Single : A 167 CYS SG B: rot -64:sc= 0.0901 USER MOD Single : A 170 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 173 THR OG1 : rot 73:sc= 1.91 USER MOD Single : A 174 THR OG1 : rot 78:sc= 0.28 USER MOD Single : A 180 SER OG : rot -149:sc= 1.55 USER MOD Single : A 196 SER OG : rot -146:sc= 1.38 USER MOD Single : A 198 GLN : amide:sc= 1.04 K(o=1,f=0.26) USER MOD Single : A 204 SER OG : rot 180:sc= 0 USER MOD Single : A 215 EDO O1 : rot 180:sc= 0 USER MOD Single : A 215 EDO O2 : rot -62:sc= 1.35 USER MOD Single : A 218 EDO O1 : rot 25:sc= 0.694 USER MOD Single : A 218 EDO O2 : rot 93:sc= 0.315 USER MOD Single : A 219 EDO O1 : rot 180:sc= 0 USER MOD Single : A 219 EDO O2 : rot 180:sc= 0 USER MOD Single : B 8 HIS : no HD1:sc=-0.00567 X(o=-0.0057,f=-0.24) USER MOD Single : B 20 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 50 TYR OH : rot 180:sc= -0.213 USER MOD Single : B 53 THR OG1 : rot -63:sc= 0.205 USER MOD Single : B 67 HIS : no HD1:sc= -0.141 K(o=-0.14,f=-0.68) USER MOD Single : B 79 SER OG : rot -56:sc= 1.31 USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 88 TYR OH : rot -39:sc= 0.888 USER MOD Single : B 101 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0111) USER MOD Single : B 110 GLN : amide:sc= 2.65 K(o=2.7,f=0.61) USER MOD Single : B 111 THR OG1 : rot 79:sc= 0.281 USER MOD Single : B 112 TYR OH : rot -91:sc= 1.25 USER MOD Single : B 117 ASN : amide:sc= -0.0181 K(o=-0.018,f=-0.97) USER MOD Single : B 119 TYR OH : rot 180:sc= 0 USER MOD Single : B 122 GLN : amide:sc= -0.339 K(o=-0.34,f=-4!) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 126 TYR OH : rot 159:sc= 1.2 USER MOD Single : B 133 TYR OH : rot -156:sc= 0.612 USER MOD Single : B 143 SER OG A: rot 67:sc= 0.0298 USER MOD Single : B 143 SER OG B: rot -34:sc= 1.31 USER MOD Single : B 148 SER OG : rot 180:sc= 0 USER MOD Single : B 155 THR OG1 : rot 83:sc= 1.09 USER MOD Single : B 160 ASN : amide:sc= 0.366 K(o=0.37,f=-0.6) USER MOD Single : B 163 CYS SG : rot 175:sc= 0 USER MOD Single : B 167 CYS SG A: rot -23:sc= 0.972 USER MOD Single : B 167 CYS SG B: rot 99:sc= -4.59! USER MOD Single : B 170 ASN : amide:sc= 1.05 X(o=1.1,f=0.67) USER MOD Single : B 173 THR OG1 : rot 70:sc= 1.85 USER MOD Single : B 174 THR OG1 : rot 78:sc= 0.12 USER MOD Single : B 180 SER OG : rot -153:sc= 1.41 USER MOD Single : B 196 SER OG : rot -168:sc= 1.33 USER MOD Single : B 198 GLN : amide:sc= 1.05 K(o=1.1,f=0.17) USER MOD Single : B 204 SER OG : rot 180:sc= 0 USER MOD Single : B 206 THR OG1 : rot 180:sc= 0 USER MOD Single : B 213 EDO O1 : rot 69:sc= 1.31 USER MOD Single : B 213 EDO O2 : rot 29:sc= 0.444 USER MOD Single : B 214 EDO O1 : rot -85:sc= 2 USER MOD Single : B 214 EDO O2 : rot -0:sc= 0.605 USER MOD Single : B 215 EDO O1 : rot -116:sc= 0.206 USER MOD Single : B 215 EDO O2 : rot 23:sc= 1.31 USER MOD Single : B 216 EDO O1 : rot 38:sc= 2.05 USER MOD Single : B 216 EDO O2 : rot 180:sc= 0 USER MOD Single : B 217 EDO O1 : rot 10:sc= 0.306 USER MOD Single : B 217 EDO O2 : rot 180:sc= 0 USER MOD Single : B 218 EDO O1 : rot 33:sc= 0.849 USER MOD Single : B 218 EDO O2 : rot 180:sc= 0 USER MOD Single : B 219 EDO O1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 39.066 5.682 11.086 1.00 85.15 N ATOM 2 CA GLY A 5 38.970 5.544 12.570 1.00 85.17 C ATOM 3 C GLY A 5 38.006 6.555 13.174 1.00 85.21 C ATOM 4 O GLY A 5 36.897 6.728 12.664 1.00 85.28 O ATOM 0 HA2 GLY A 5 38.678 4.646 12.793 1.00 85.17 H new ATOM 0 HA3 GLY A 5 39.849 5.662 12.963 1.00 85.17 H new ATOM 5 N THR A 6 38.421 7.203 14.268 1.00 84.89 N ATOM 6 CA THR A 6 37.615 8.236 14.945 1.00 84.35 C ATOM 7 C THR A 6 37.595 9.535 14.131 1.00 82.82 C ATOM 8 O THR A 6 36.567 10.214 14.103 1.00 83.74 O ATOM 9 CB THR A 6 38.112 8.524 16.395 1.00 85.06 C ATOM 10 OG1 THR A 6 38.180 7.297 17.131 1.00 86.39 O ATOM 11 CG2 THR A 6 37.171 9.492 17.131 1.00 84.15 C ATOM 0 H THR A 6 39.181 7.057 14.642 1.00 84.89 H new ATOM 0 HA THR A 6 36.713 7.885 15.009 1.00 84.35 H new ATOM 0 HB THR A 6 38.989 8.933 16.333 1.00 85.06 H new ATOM 0 HG1 THR A 6 38.449 7.453 17.911 1.00 86.39 H new ATOM 0 HG21 THR A 6 37.506 9.651 18.027 1.00 84.15 H new ATOM 0 HG22 THR A 6 37.129 10.332 16.648 1.00 84.15 H new ATOM 0 HG23 THR A 6 36.283 9.104 17.182 1.00 84.15 H new ATOM 12 N GLU A 7 38.725 9.880 13.498 1.00 80.47 N ATOM 13 CA GLU A 7 38.820 11.060 12.611 1.00 79.16 C ATOM 14 C GLU A 7 37.833 10.962 11.435 1.00 77.96 C ATOM 15 O GLU A 7 37.252 11.974 11.038 1.00 77.65 O ATOM 16 CB GLU A 7 40.242 11.238 12.071 1.00 78.28 C ATOM 0 H GLU A 7 39.460 9.439 13.569 1.00 80.47 H new ATOM 0 HA GLU A 7 38.589 11.834 13.148 1.00 79.16 H new ATOM 17 N HIS A 8 37.662 9.743 10.902 1.00 76.64 N ATOM 18 CA HIS A 8 36.707 9.437 9.822 1.00 75.55 C ATOM 19 C HIS A 8 35.260 9.622 10.305 1.00 75.67 C ATOM 20 O HIS A 8 34.461 10.283 9.635 1.00 76.54 O ATOM 21 CB HIS A 8 36.910 7.996 9.316 1.00 74.69 C ATOM 22 CG HIS A 8 35.957 7.583 8.236 1.00 71.57 C ATOM 23 ND1 HIS A 8 34.721 7.035 8.504 1.00 69.99 N ATOM 24 CD2 HIS A 8 36.061 7.631 6.887 1.00 69.48 C ATOM 25 CE1 HIS A 8 34.102 6.770 7.368 1.00 69.31 C ATOM 26 NE2 HIS A 8 34.894 7.123 6.371 1.00 68.61 N ATOM 0 H HIS A 8 38.108 9.056 11.164 1.00 76.64 H new ATOM 0 HA HIS A 8 36.871 10.054 9.092 1.00 75.55 H new ATOM 0 HB2 HIS A 8 37.817 7.905 8.985 1.00 74.69 H new ATOM 0 HB3 HIS A 8 36.819 7.386 10.064 1.00 74.69 H new ATOM 0 HD1 HIS A 8 34.402 6.888 9.289 1.00 69.99 H new ATOM 0 HD2 HIS A 8 36.787 7.949 6.401 1.00 69.48 H new ATOM 0 HE1 HIS A 8 33.254 6.398 7.284 1.00 69.31 H new ATOM 27 N ASP A 9 34.943 9.030 11.458 1.00 74.78 N ATOM 28 CA ASP A 9 33.604 9.138 12.069 1.00 74.09 C ATOM 29 C ASP A 9 33.281 10.558 12.552 1.00 71.97 C ATOM 30 O ASP A 9 32.112 10.957 12.548 1.00 73.07 O ATOM 31 CB ASP A 9 33.433 8.121 13.209 1.00 74.81 C ATOM 32 CG ASP A 9 33.512 6.662 12.726 1.00 79.20 C ATOM 33 OD1 ASP A 9 33.705 6.413 11.506 1.00 84.30 O ATOM 34 OD2 ASP A 9 33.387 5.756 13.582 1.00 83.15 O ATOM 0 H ASP A 9 35.496 8.553 11.912 1.00 74.78 H new ATOM 0 HA ASP A 9 32.966 8.930 11.369 1.00 74.09 H new ATOM 0 HB2 ASP A 9 34.119 8.273 13.878 1.00 74.81 H new ATOM 0 HB3 ASP A 9 32.577 8.268 13.642 1.00 74.81 H new ATOM 35 N ALA A 10 34.304 11.299 12.979 1.00 68.12 N ATOM 36 CA ALA A 10 34.158 12.710 13.354 1.00 65.60 C ATOM 37 C ALA A 10 33.827 13.541 12.112 1.00 63.51 C ATOM 38 O ALA A 10 32.980 14.433 12.165 1.00 62.85 O ATOM 39 CB ALA A 10 35.439 13.237 14.002 1.00 65.15 C ATOM 0 H ALA A 10 35.105 10.998 13.060 1.00 68.12 H new ATOM 0 HA ALA A 10 33.436 12.784 13.998 1.00 65.60 H new ATOM 0 HB1 ALA A 10 35.321 14.169 14.242 1.00 65.15 H new ATOM 0 HB2 ALA A 10 35.634 12.721 14.800 1.00 65.15 H new ATOM 0 HB3 ALA A 10 36.176 13.155 13.376 1.00 65.15 H new HETATM 40 N MSE A 11 34.522 13.244 11.010 1.00 61.28 N HETATM 41 CA MSE A 11 34.292 13.903 9.727 1.00 58.70 C HETATM 42 C MSE A 11 32.883 13.563 9.199 1.00 57.00 C HETATM 43 O MSE A 11 32.162 14.468 8.796 1.00 53.30 O HETATM 44 CB MSE A 11 35.398 13.537 8.711 1.00 57.91 C HETATM 45 CG MSE A 11 35.265 14.159 7.319 1.00 55.20 C HETATM 46 SE MSE A 11 35.132 16.093 7.314 0.75 57.63 SE HETATM 47 CE MSE A 11 37.042 16.488 7.418 1.00 58.99 C HETATM 0 H MSE A 11 35.144 12.650 10.989 1.00 61.28 H new HETATM 0 HA MSE A 11 34.335 14.864 9.855 1.00 58.70 H new HETATM 0 HB2 MSE A 11 36.254 13.801 9.083 1.00 57.91 H new HETATM 0 HB3 MSE A 11 35.416 12.572 8.614 1.00 57.91 H new HETATM 0 HG2 MSE A 11 36.032 13.897 6.785 1.00 55.20 H new HETATM 0 HG3 MSE A 11 34.479 13.791 6.886 1.00 55.20 H new HETATM 0 HE1 MSE A 11 37.174 17.449 7.426 1.00 58.99 H new HETATM 0 HE2 MSE A 11 37.408 16.105 8.230 1.00 58.99 H new HETATM 0 HE3 MSE A 11 37.494 16.107 6.649 1.00 58.99 H new ATOM 48 N ARG A 12 32.491 12.285 9.245 1.00 57.18 N ATOM 49 CA ARG A 12 31.156 11.851 8.769 1.00 57.43 C ATOM 50 C ARG A 12 30.025 12.573 9.510 1.00 56.49 C ATOM 51 O ARG A 12 29.078 13.050 8.880 1.00 55.29 O ATOM 52 CB ARG A 12 30.978 10.335 8.870 1.00 58.12 C ATOM 53 CG ARG A 12 29.793 9.801 8.054 1.00 59.04 C ATOM 54 CD ARG A 12 29.697 8.303 8.170 1.00 53.94 C ATOM 55 NE ARG A 12 28.737 7.703 7.244 1.00 50.91 N ATOM 56 CZ ARG A 12 27.414 7.607 7.430 1.00 51.98 C ATOM 57 NH1 ARG A 12 26.803 8.074 8.529 1.00 46.74 N ATOM 58 NH2 ARG A 12 26.682 7.012 6.489 1.00 48.75 N ATOM 0 H ARG A 12 32.981 11.647 9.548 1.00 57.18 H new ATOM 0 HA ARG A 12 31.106 12.096 7.832 1.00 57.43 H new ATOM 0 HB2 ARG A 12 31.791 9.900 8.568 1.00 58.12 H new ATOM 0 HB3 ARG A 12 30.856 10.092 9.801 1.00 58.12 H new ATOM 0 HG2 ARG A 12 28.970 10.207 8.367 1.00 59.04 H new ATOM 0 HG3 ARG A 12 29.897 10.052 7.123 1.00 59.04 H new ATOM 0 HD2 ARG A 12 30.573 7.917 8.011 1.00 53.94 H new ATOM 0 HD3 ARG A 12 29.446 8.072 9.078 1.00 53.94 H new ATOM 0 HE ARG A 12 29.052 7.382 6.511 1.00 50.91 H new ATOM 0 HH11 ARG A 12 27.263 8.453 9.149 1.00 46.74 H new ATOM 0 HH12 ARG A 12 25.951 7.995 8.614 1.00 46.74 H new ATOM 0 HH21 ARG A 12 27.061 6.700 5.783 1.00 48.75 H new ATOM 0 HH22 ARG A 12 25.831 6.940 6.588 1.00 48.75 H new ATOM 59 N ALA A 13 30.150 12.664 10.836 1.00 55.83 N ATOM 60 CA ALA A 13 29.200 13.406 11.674 1.00 54.73 C ATOM 61 C ALA A 13 29.183 14.889 11.315 1.00 53.21 C ATOM 62 O ALA A 13 28.103 15.501 11.305 1.00 54.73 O ATOM 63 CB ALA A 13 29.518 13.247 13.149 1.00 55.59 C ATOM 0 H ALA A 13 30.790 12.296 11.277 1.00 55.83 H new ATOM 0 HA ALA A 13 28.322 13.031 11.502 1.00 54.73 H new ATOM 0 HB1 ALA A 13 28.875 13.747 13.675 1.00 55.59 H new ATOM 0 HB2 ALA A 13 29.473 12.309 13.391 1.00 55.59 H new ATOM 0 HB3 ALA A 13 30.411 13.583 13.326 1.00 55.59 H new ATOM 64 N ARG A 14 30.362 15.458 11.037 1.00 50.13 N ATOM 65 CA AARG A 14 30.468 16.869 10.634 0.50 49.90 C ATOM 66 CA BARG A 14 30.460 16.868 10.628 0.50 49.08 C ATOM 67 C ARG A 14 29.768 17.074 9.271 1.00 47.85 C ATOM 68 O ARG A 14 29.093 18.081 9.063 1.00 44.12 O ATOM 69 CB AARG A 14 31.944 17.321 10.614 0.50 51.40 C ATOM 70 CB BARG A 14 31.915 17.370 10.588 0.50 50.18 C ATOM 71 CG AARG A 14 32.184 18.840 10.671 0.50 55.70 C ATOM 72 CG BARG A 14 32.515 17.783 11.949 0.50 49.97 C ATOM 73 CD AARG A 14 32.292 19.523 9.312 0.50 55.07 C ATOM 74 CD BARG A 14 33.941 18.311 11.761 0.50 48.72 C ATOM 75 NE AARG A 14 33.613 19.329 8.706 0.50 57.07 N ATOM 76 NE BARG A 14 34.909 17.221 11.579 0.50 51.82 N ATOM 77 CZ AARG A 14 34.026 19.883 7.564 0.50 55.38 C ATOM 78 CZ BARG A 14 36.104 17.311 10.982 0.50 49.85 C ATOM 79 NH1AARG A 14 33.230 20.692 6.851 0.50 56.68 N ATOM 80 NH1BARG A 14 36.546 18.448 10.421 0.50 53.42 N ATOM 81 NH2AARG A 14 35.260 19.628 7.126 0.50 58.73 N ATOM 82 NH2BARG A 14 36.865 16.217 10.910 0.50 48.56 N ATOM 0 H AARG A 14 31.115 15.044 11.076 0.50 50.13 H new ATOM 0 H BARG A 14 31.116 15.046 11.079 0.50 50.13 H new ATOM 0 HA AARG A 14 30.016 17.428 11.285 0.50 49.08 H new ATOM 0 HA BARG A 14 30.004 17.399 11.300 0.50 49.08 H new ATOM 0 HB2AARG A 14 32.400 16.911 11.366 0.50 50.18 H new ATOM 0 HB2BARG A 14 32.471 16.673 10.206 0.50 50.18 H new ATOM 0 HB3AARG A 14 32.359 16.976 9.808 0.50 50.18 H new ATOM 0 HB3BARG A 14 31.962 18.131 9.988 0.50 50.18 H new ATOM 0 HG2AARG A 14 31.459 19.251 11.168 0.50 49.97 H new ATOM 0 HG2BARG A 14 31.962 18.466 12.360 0.50 49.97 H new ATOM 0 HG3AARG A 14 33.000 19.007 11.168 0.50 49.97 H new ATOM 0 HG3BARG A 14 32.521 17.023 12.551 0.50 49.97 H new ATOM 0 HD2AARG A 14 31.610 19.172 8.719 0.50 48.72 H new ATOM 0 HD2BARG A 14 33.969 18.900 10.991 0.50 48.72 H new ATOM 0 HD3AARG A 14 32.119 20.472 9.413 0.50 48.72 H new ATOM 0 HD3BARG A 14 34.193 18.842 12.533 0.50 48.72 H new ATOM 0 HE AARG A 14 34.166 18.817 9.120 0.50 51.82 H new ATOM 0 HE BARG A 14 34.686 16.449 11.886 0.50 51.82 H new ATOM 0 HH11AARG A 14 32.434 20.864 7.127 0.50 53.42 H new ATOM 0 HH11BARG A 14 36.056 19.154 10.437 0.50 53.42 H new ATOM 0 HH12AARG A 14 33.515 21.039 6.118 0.50 53.42 H new ATOM 0 HH12BARG A 14 37.320 18.470 10.046 0.50 53.42 H new ATOM 0 HH21AARG A 14 35.779 19.112 7.578 0.50 48.56 H new ATOM 0 HH21BARG A 14 36.584 15.475 11.243 0.50 48.56 H new ATOM 0 HH22AARG A 14 35.537 19.979 6.392 0.50 48.56 H new ATOM 0 HH22BARG A 14 37.636 16.254 10.531 0.50 48.56 H new ATOM 83 N LEU A 15 29.925 16.107 8.358 1.00 46.18 N ATOM 84 CA LEU A 15 29.275 16.163 7.028 1.00 43.11 C ATOM 85 C LEU A 15 27.749 16.060 7.123 1.00 42.12 C ATOM 86 O LEU A 15 27.040 16.771 6.424 1.00 41.68 O ATOM 87 CB LEU A 15 29.800 15.065 6.108 1.00 43.63 C ATOM 88 CG LEU A 15 31.249 15.224 5.659 1.00 40.25 C ATOM 89 CD1 LEU A 15 31.750 13.940 5.041 1.00 43.86 C ATOM 90 CD2 LEU A 15 31.412 16.393 4.701 1.00 42.51 C ATOM 0 H LEU A 15 30.405 15.405 8.485 1.00 46.18 H new ATOM 0 HA LEU A 15 29.499 17.029 6.653 1.00 43.11 H new ATOM 0 HB2 LEU A 15 29.710 14.213 6.563 1.00 43.63 H new ATOM 0 HB3 LEU A 15 29.236 15.027 5.320 1.00 43.63 H new ATOM 0 HG LEU A 15 31.787 15.419 6.443 1.00 40.25 H new ATOM 0 HD11 LEU A 15 32.671 14.054 4.760 1.00 43.86 H new ATOM 0 HD12 LEU A 15 31.698 13.224 5.694 1.00 43.86 H new ATOM 0 HD13 LEU A 15 31.203 13.716 4.272 1.00 43.86 H new ATOM 0 HD21 LEU A 15 32.342 16.467 4.435 1.00 42.51 H new ATOM 0 HD22 LEU A 15 30.862 16.247 3.915 1.00 42.51 H new ATOM 0 HD23 LEU A 15 31.136 17.213 5.140 1.00 42.51 H new ATOM 91 N VAL A 16 27.262 15.182 7.993 1.00 41.47 N ATOM 92 CA VAL A 16 25.807 15.030 8.214 1.00 42.95 C ATOM 93 C VAL A 16 25.192 16.335 8.732 1.00 44.35 C ATOM 94 O VAL A 16 24.080 16.719 8.334 1.00 42.49 O ATOM 95 CB VAL A 16 25.474 13.811 9.124 1.00 44.44 C ATOM 96 CG1 VAL A 16 23.981 13.710 9.346 1.00 46.01 C ATOM 97 CG2 VAL A 16 25.986 12.499 8.484 1.00 41.31 C ATOM 0 H VAL A 16 27.750 14.659 8.471 1.00 41.47 H new ATOM 0 HA VAL A 16 25.398 14.840 7.355 1.00 42.95 H new ATOM 0 HB VAL A 16 25.917 13.943 9.977 1.00 44.44 H new ATOM 0 HG11 VAL A 16 23.789 12.947 9.914 1.00 46.01 H new ATOM 0 HG12 VAL A 16 23.662 14.520 9.774 1.00 46.01 H new ATOM 0 HG13 VAL A 16 23.534 13.598 8.493 1.00 46.01 H new ATOM 0 HG21 VAL A 16 25.771 11.751 9.063 1.00 41.31 H new ATOM 0 HG22 VAL A 16 25.561 12.372 7.621 1.00 41.31 H new ATOM 0 HG23 VAL A 16 26.947 12.550 8.366 1.00 41.31 H new ATOM 98 N ASP A 17 25.947 17.023 9.593 1.00 45.58 N ATOM 99 CA ASP A 17 25.573 18.314 10.158 1.00 45.70 C ATOM 100 C ASP A 17 25.469 19.375 9.042 1.00 42.28 C ATOM 101 O ASP A 17 24.506 20.125 9.009 1.00 41.56 O ATOM 102 CB ASP A 17 26.611 18.696 11.224 1.00 49.13 C ATOM 103 CG ASP A 17 26.158 19.798 12.118 1.00 60.90 C ATOM 104 OD1 ASP A 17 26.082 20.972 11.669 1.00 76.26 O ATOM 105 OD2 ASP A 17 25.938 19.492 13.307 1.00 80.37 O ATOM 0 H ASP A 17 26.711 16.740 9.869 1.00 45.58 H new ATOM 0 HA ASP A 17 24.700 18.263 10.578 1.00 45.70 H new ATOM 0 HB2 ASP A 17 26.816 17.915 11.762 1.00 49.13 H new ATOM 0 HB3 ASP A 17 27.434 18.962 10.785 1.00 49.13 H new ATOM 106 N VAL A 18 26.442 19.417 8.126 1.00 41.70 N ATOM 107 CA VAL A 18 26.399 20.342 6.971 1.00 39.12 C ATOM 108 C VAL A 18 25.203 20.004 6.069 1.00 39.81 C ATOM 109 O VAL A 18 24.506 20.901 5.604 1.00 37.61 O ATOM 110 CB VAL A 18 27.726 20.332 6.150 1.00 40.32 C ATOM 111 CG1 VAL A 18 27.596 21.182 4.860 1.00 39.03 C ATOM 112 CG2 VAL A 18 28.890 20.822 7.013 1.00 42.75 C ATOM 0 H VAL A 18 27.142 18.917 8.151 1.00 41.70 H new ATOM 0 HA VAL A 18 26.293 21.240 7.322 1.00 39.12 H new ATOM 0 HB VAL A 18 27.907 19.418 5.880 1.00 40.32 H new ATOM 0 HG11 VAL A 18 28.433 21.158 4.371 1.00 39.03 H new ATOM 0 HG12 VAL A 18 26.887 20.822 4.305 1.00 39.03 H new ATOM 0 HG13 VAL A 18 27.386 22.099 5.096 1.00 39.03 H new ATOM 0 HG21 VAL A 18 29.707 20.811 6.491 1.00 42.75 H new ATOM 0 HG22 VAL A 18 28.712 21.727 7.314 1.00 42.75 H new ATOM 0 HG23 VAL A 18 28.990 20.240 7.782 1.00 42.75 H new ATOM 113 N ALA A 19 24.968 18.706 5.851 1.00 37.74 N ATOM 114 CA ALA A 19 23.838 18.226 5.051 1.00 36.61 C ATOM 115 C ALA A 19 22.489 18.683 5.632 1.00 36.90 C ATOM 116 O ALA A 19 21.650 19.171 4.890 1.00 36.16 O ATOM 117 CB ALA A 19 23.888 16.718 4.914 1.00 37.12 C ATOM 0 H ALA A 19 25.463 18.077 6.165 1.00 37.74 H new ATOM 0 HA ALA A 19 23.915 18.619 4.168 1.00 36.61 H new ATOM 0 HB1 ALA A 19 23.135 16.416 4.383 1.00 37.12 H new ATOM 0 HB2 ALA A 19 24.715 16.460 4.478 1.00 37.12 H new ATOM 0 HB3 ALA A 19 23.846 16.311 5.794 1.00 37.12 H new ATOM 118 N GLN A 20 22.305 18.561 6.956 1.00 40.11 N ATOM 119 CA GLN A 20 21.070 19.018 7.627 1.00 44.13 C ATOM 120 C GLN A 20 20.876 20.517 7.411 1.00 42.24 C ATOM 121 O GLN A 20 19.762 20.956 7.147 1.00 39.74 O ATOM 122 CB GLN A 20 21.024 18.673 9.142 1.00 44.91 C ATOM 123 CG GLN A 20 19.861 19.457 9.961 1.00 48.45 C ATOM 124 CD GLN A 20 19.428 18.771 11.267 1.00 56.50 C ATOM 125 OE1 GLN A 20 20.256 18.364 12.089 1.00 75.37 O ATOM 126 NE2 GLN A 20 18.117 18.670 11.472 1.00 66.72 N ATOM 0 H GLN A 20 22.886 18.215 7.487 1.00 40.11 H new ATOM 0 HA GLN A 20 20.337 18.532 7.218 1.00 44.13 H new ATOM 0 HB2 GLN A 20 20.890 17.718 9.243 1.00 44.91 H new ATOM 0 HB3 GLN A 20 21.884 18.883 9.539 1.00 44.91 H new ATOM 0 HG2 GLN A 20 20.174 20.352 10.167 1.00 48.45 H new ATOM 0 HG3 GLN A 20 19.085 19.553 9.387 1.00 48.45 H new ATOM 0 HE21 GLN A 20 17.565 18.963 10.881 1.00 66.72 H new ATOM 0 HE22 GLN A 20 17.821 18.312 12.196 1.00 66.72 H new ATOM 127 N ALA A 21 21.962 21.284 7.521 1.00 40.32 N ATOM 128 CA ALA A 21 21.909 22.725 7.303 1.00 40.90 C ATOM 129 C ALA A 21 21.467 23.073 5.886 1.00 39.31 C ATOM 130 O ALA A 21 20.654 23.967 5.731 1.00 40.35 O ATOM 131 CB ALA A 21 23.251 23.386 7.639 1.00 42.36 C ATOM 0 H ALA A 21 22.742 20.984 7.722 1.00 40.32 H new ATOM 0 HA ALA A 21 21.239 23.079 7.908 1.00 40.90 H new ATOM 0 HB1 ALA A 21 23.189 24.342 7.486 1.00 42.36 H new ATOM 0 HB2 ALA A 21 23.469 23.222 8.570 1.00 42.36 H new ATOM 0 HB3 ALA A 21 23.946 23.013 7.074 1.00 42.36 H new ATOM 132 N ILE A 22 21.959 22.350 4.872 1.00 37.90 N ATOM 133 CA ILE A 22 21.575 22.591 3.455 1.00 37.19 C ATOM 134 C ILE A 22 20.089 22.308 3.277 1.00 37.11 C ATOM 135 O ILE A 22 19.369 23.104 2.679 1.00 39.60 O ATOM 136 CB ILE A 22 22.387 21.708 2.458 1.00 37.21 C ATOM 137 CG1 ILE A 22 23.851 22.132 2.425 1.00 40.00 C ATOM 138 CG2 ILE A 22 21.791 21.750 1.028 1.00 33.05 C ATOM 139 CD1 ILE A 22 24.755 21.111 1.802 1.00 39.42 C ATOM 0 H ILE A 22 22.522 21.708 4.977 1.00 37.90 H new ATOM 0 HA ILE A 22 21.775 23.519 3.256 1.00 37.19 H new ATOM 0 HB ILE A 22 22.329 20.794 2.778 1.00 37.21 H new ATOM 0 HG12 ILE A 22 23.928 22.965 1.934 1.00 40.00 H new ATOM 0 HG13 ILE A 22 24.150 22.308 3.331 1.00 40.00 H new ATOM 0 HG21 ILE A 22 22.322 21.191 0.439 1.00 33.05 H new ATOM 0 HG22 ILE A 22 20.878 21.423 1.048 1.00 33.05 H new ATOM 0 HG23 ILE A 22 21.800 22.663 0.700 1.00 33.05 H new ATOM 0 HD11 ILE A 22 25.668 21.438 1.811 1.00 39.42 H new ATOM 0 HD12 ILE A 22 24.704 20.283 2.305 1.00 39.42 H new ATOM 0 HD13 ILE A 22 24.479 20.950 0.886 1.00 39.42 H new ATOM 140 N VAL A 23 19.626 21.187 3.824 1.00 36.64 N ATOM 141 CA VAL A 23 18.214 20.837 3.745 1.00 34.77 C ATOM 142 C VAL A 23 17.342 21.999 4.272 1.00 36.03 C ATOM 143 O VAL A 23 16.404 22.430 3.596 1.00 37.93 O ATOM 144 CB VAL A 23 17.912 19.486 4.428 1.00 35.01 C ATOM 145 CG1 VAL A 23 16.420 19.240 4.488 1.00 35.75 C ATOM 146 CG2 VAL A 23 18.647 18.323 3.681 1.00 31.44 C ATOM 0 H VAL A 23 20.114 20.617 4.245 1.00 36.64 H new ATOM 0 HA VAL A 23 17.981 20.707 2.812 1.00 34.77 H new ATOM 0 HB VAL A 23 18.244 19.517 5.339 1.00 35.01 H new ATOM 0 HG11 VAL A 23 16.249 18.388 4.919 1.00 35.75 H new ATOM 0 HG12 VAL A 23 15.995 19.950 4.995 1.00 35.75 H new ATOM 0 HG13 VAL A 23 16.058 19.224 3.588 1.00 35.75 H new ATOM 0 HG21 VAL A 23 18.449 17.481 4.119 1.00 31.44 H new ATOM 0 HG22 VAL A 23 18.344 18.287 2.760 1.00 31.44 H new ATOM 0 HG23 VAL A 23 19.604 18.480 3.700 1.00 31.44 H new ATOM 147 N GLU A 24 17.686 22.516 5.447 1.00 38.96 N ATOM 148 CA GLU A 24 16.971 23.660 6.044 1.00 41.84 C ATOM 149 C GLU A 24 17.042 24.906 5.177 1.00 42.62 C ATOM 150 O GLU A 24 16.032 25.560 4.975 1.00 46.29 O ATOM 151 CB GLU A 24 17.464 23.972 7.458 1.00 41.18 C ATOM 152 CG GLU A 24 17.063 22.947 8.480 1.00 45.69 C ATOM 153 CD GLU A 24 17.417 23.322 9.911 1.00 45.62 C ATOM 154 OE1 GLU A 24 17.813 24.488 10.166 1.00 48.35 O ATOM 155 OE2 GLU A 24 17.293 22.440 10.792 1.00 47.61 O ATOM 0 H GLU A 24 18.337 22.220 5.925 1.00 38.96 H new ATOM 0 HA GLU A 24 16.041 23.389 6.099 1.00 41.84 H new ATOM 0 HB2 GLU A 24 18.431 24.043 7.446 1.00 41.18 H new ATOM 0 HB3 GLU A 24 17.119 24.838 7.728 1.00 41.18 H new ATOM 0 HG2 GLU A 24 16.105 22.804 8.421 1.00 45.69 H new ATOM 0 HG3 GLU A 24 17.490 22.104 8.262 1.00 45.69 H new ATOM 156 N GLU A 25 18.214 25.213 4.636 1.00 42.27 N ATOM 157 CA GLU A 25 18.370 26.368 3.734 1.00 43.94 C ATOM 158 C GLU A 25 17.507 26.282 2.486 1.00 44.10 C ATOM 159 O GLU A 25 16.916 27.279 2.064 1.00 43.89 O ATOM 160 CB GLU A 25 19.814 26.504 3.280 1.00 45.76 C ATOM 161 CG GLU A 25 20.725 26.944 4.377 1.00 50.46 C ATOM 162 CD GLU A 25 22.174 26.690 4.064 1.00 51.91 C ATOM 163 OE1 GLU A 25 22.516 26.480 2.873 1.00 47.26 O ATOM 164 OE2 GLU A 25 22.955 26.691 5.033 1.00 61.05 O ATOM 0 H GLU A 25 18.938 24.769 4.774 1.00 42.27 H new ATOM 0 HA GLU A 25 18.087 27.137 4.254 1.00 43.94 H new ATOM 0 HB2 GLU A 25 20.121 25.652 2.932 1.00 45.76 H new ATOM 0 HB3 GLU A 25 19.861 27.142 2.551 1.00 45.76 H new ATOM 0 HG2 GLU A 25 20.594 27.891 4.541 1.00 50.46 H new ATOM 0 HG3 GLU A 25 20.488 26.480 5.195 1.00 50.46 H new ATOM 165 N ARG A 26 17.442 25.086 1.907 1.00 42.49 N ATOM 166 CA ARG A 26 16.666 24.848 0.697 1.00 41.20 C ATOM 167 C ARG A 26 15.162 24.678 0.925 1.00 41.36 C ATOM 168 O ARG A 26 14.420 24.549 -0.046 1.00 43.29 O ATOM 169 CB ARG A 26 17.235 23.643 -0.061 1.00 40.89 C ATOM 170 CG ARG A 26 18.588 23.908 -0.627 1.00 44.44 C ATOM 171 CD ARG A 26 19.033 22.815 -1.571 1.00 44.00 C ATOM 172 NE ARG A 26 20.174 23.275 -2.347 1.00 48.42 N ATOM 173 CZ ARG A 26 20.107 23.979 -3.478 1.00 45.87 C ATOM 174 NH1 ARG A 26 18.942 24.387 -3.998 1.00 45.10 N ATOM 175 NH2 ARG A 26 21.241 24.325 -4.081 1.00 50.08 N ATOM 0 H ARG A 26 17.848 24.389 2.206 1.00 42.49 H new ATOM 0 HA ARG A 26 16.753 25.654 0.164 1.00 41.20 H new ATOM 0 HB2 ARG A 26 17.282 22.882 0.538 1.00 40.89 H new ATOM 0 HB3 ARG A 26 16.629 23.402 -0.779 1.00 40.89 H new ATOM 0 HG2 ARG A 26 18.580 24.756 -1.097 1.00 44.44 H new ATOM 0 HG3 ARG A 26 19.229 23.990 0.096 1.00 44.44 H new ATOM 0 HD2 ARG A 26 19.271 22.019 -1.070 1.00 44.00 H new ATOM 0 HD3 ARG A 26 18.305 22.570 -2.163 1.00 44.00 H new ATOM 0 HE ARG A 26 20.957 23.077 -2.052 1.00 48.42 H new ATOM 0 HH11 ARG A 26 18.204 24.196 -3.601 1.00 45.10 H new ATOM 0 HH12 ARG A 26 18.933 24.840 -4.729 1.00 45.10 H new ATOM 0 HH21 ARG A 26 21.997 24.095 -3.741 1.00 50.08 H new ATOM 0 HH22 ARG A 26 21.219 24.779 -4.811 1.00 50.08 H new ATOM 176 N GLY A 27 14.716 24.661 2.182 1.00 40.71 N ATOM 177 CA GLY A 27 13.303 24.475 2.496 1.00 40.90 C ATOM 178 C GLY A 27 12.812 23.048 2.328 1.00 42.03 C ATOM 179 O GLY A 27 11.613 22.833 2.161 1.00 44.06 O ATOM 0 H GLY A 27 15.222 24.756 2.871 1.00 40.71 H new ATOM 0 HA2 GLY A 27 13.146 24.755 3.411 1.00 40.90 H new ATOM 0 HA3 GLY A 27 12.776 25.057 1.927 1.00 40.90 H new ATOM 180 N GLY A 28 13.722 22.078 2.415 1.00 41.25 N ATOM 181 CA GLY A 28 13.398 20.661 2.304 1.00 44.63 C ATOM 182 C GLY A 28 14.208 20.019 1.205 1.00 47.13 C ATOM 183 O GLY A 28 15.410 19.790 1.372 1.00 52.94 O ATOM 0 H GLY A 28 14.559 22.230 2.542 1.00 41.25 H new ATOM 0 HA2 GLY A 28 13.576 20.216 3.147 1.00 44.63 H new ATOM 0 HA3 GLY A 28 12.452 20.553 2.121 1.00 44.63 H new ATOM 184 N ALA A 29 13.585 19.813 0.058 1.00 46.82 N ATOM 185 CA ALA A 29 14.207 19.098 -1.050 1.00 45.46 C ATOM 186 C ALA A 29 15.312 19.878 -1.740 1.00 44.89 C ATOM 187 O ALA A 29 15.360 21.113 -1.677 1.00 47.17 O ATOM 188 CB ALA A 29 13.144 18.695 -2.072 1.00 46.33 C ATOM 0 H ALA A 29 12.785 20.084 -0.104 1.00 46.82 H new ATOM 0 HA ALA A 29 14.625 18.312 -0.665 1.00 45.46 H new ATOM 0 HB1 ALA A 29 13.564 18.220 -2.806 1.00 46.33 H new ATOM 0 HB2 ALA A 29 12.489 18.119 -1.648 1.00 46.33 H new ATOM 0 HB3 ALA A 29 12.704 19.490 -2.412 1.00 46.33 H new ATOM 189 N GLY A 30 16.187 19.137 -2.411 1.00 41.03 N ATOM 190 CA GLY A 30 17.287 19.714 -3.198 1.00 41.12 C ATOM 191 C GLY A 30 18.698 19.392 -2.762 1.00 40.74 C ATOM 192 O GLY A 30 19.640 19.862 -3.395 1.00 42.58 O ATOM 0 H GLY A 30 16.164 18.277 -2.426 1.00 41.03 H new ATOM 0 HA2 GLY A 30 17.183 19.422 -4.117 1.00 41.12 H new ATOM 0 HA3 GLY A 30 17.185 20.679 -3.194 1.00 41.12 H new ATOM 193 N LEU A 31 18.861 18.579 -1.717 1.00 40.63 N ATOM 194 CA LEU A 31 20.197 18.193 -1.257 1.00 40.18 C ATOM 195 C LEU A 31 20.876 17.303 -2.290 1.00 37.98 C ATOM 196 O LEU A 31 20.318 16.296 -2.700 1.00 35.67 O ATOM 197 CB LEU A 31 20.138 17.391 0.044 1.00 39.93 C ATOM 198 CG LEU A 31 21.488 16.863 0.579 1.00 41.86 C ATOM 199 CD1 LEU A 31 22.406 17.989 0.944 1.00 40.97 C ATOM 200 CD2 LEU A 31 21.261 15.999 1.741 1.00 38.72 C ATOM 0 H LEU A 31 18.214 18.241 -1.262 1.00 40.63 H new ATOM 0 HA LEU A 31 20.689 19.017 -1.119 1.00 40.18 H new ATOM 0 HB2 LEU A 31 19.735 17.948 0.728 1.00 39.93 H new ATOM 0 HB3 LEU A 31 19.546 16.635 -0.090 1.00 39.93 H new ATOM 0 HG LEU A 31 21.912 16.349 -0.125 1.00 41.86 H new ATOM 0 HD11 LEU A 31 23.243 17.629 1.276 1.00 40.97 H new ATOM 0 HD12 LEU A 31 22.577 18.535 0.160 1.00 40.97 H new ATOM 0 HD13 LEU A 31 21.993 18.533 1.632 1.00 40.97 H new ATOM 0 HD21 LEU A 31 22.112 15.671 2.072 1.00 38.72 H new ATOM 0 HD22 LEU A 31 20.817 16.505 2.439 1.00 38.72 H new ATOM 0 HD23 LEU A 31 20.704 15.248 1.482 1.00 38.72 H new ATOM 201 N THR A 32 22.098 17.659 -2.652 1.00 37.14 N ATOM 202 CA THR A 32 22.901 16.837 -3.547 1.00 36.59 C ATOM 203 C THR A 32 24.258 16.588 -2.907 1.00 36.33 C ATOM 204 O THR A 32 24.726 17.405 -2.112 1.00 34.25 O ATOM 205 CB THR A 32 23.091 17.515 -4.908 1.00 38.01 C ATOM 206 OG1 THR A 32 23.762 18.773 -4.731 1.00 39.84 O ATOM 207 CG2 THR A 32 21.732 17.728 -5.606 1.00 33.59 C ATOM 0 H THR A 32 22.486 18.380 -2.388 1.00 37.14 H new ATOM 0 HA THR A 32 22.438 15.997 -3.694 1.00 36.59 H new ATOM 0 HB THR A 32 23.633 16.940 -5.471 1.00 38.01 H new ATOM 0 HG1 THR A 32 23.867 19.143 -5.478 1.00 39.84 H new ATOM 0 HG21 THR A 32 21.873 18.158 -6.464 1.00 33.59 H new ATOM 0 HG22 THR A 32 21.299 16.870 -5.741 1.00 33.59 H new ATOM 0 HG23 THR A 32 21.168 18.290 -5.052 1.00 33.59 H new ATOM 208 N LEU A 33 24.859 15.450 -3.259 1.00 34.45 N ATOM 209 CA LEU A 33 26.235 15.097 -2.915 1.00 36.10 C ATOM 210 C LEU A 33 27.192 16.180 -3.454 1.00 36.94 C ATOM 211 O LEU A 33 28.180 16.525 -2.799 1.00 37.33 O ATOM 212 CB LEU A 33 26.611 13.733 -3.524 1.00 35.14 C ATOM 213 CG LEU A 33 25.873 12.501 -2.984 1.00 34.86 C ATOM 214 CD1 LEU A 33 25.971 11.308 -3.940 1.00 32.50 C ATOM 215 CD2 LEU A 33 26.406 12.153 -1.626 1.00 36.81 C ATOM 0 H LEU A 33 24.462 14.843 -3.720 1.00 34.45 H new ATOM 0 HA LEU A 33 26.311 15.040 -1.950 1.00 36.10 H new ATOM 0 HB2 LEU A 33 26.461 13.779 -4.481 1.00 35.14 H new ATOM 0 HB3 LEU A 33 27.562 13.596 -3.392 1.00 35.14 H new ATOM 0 HG LEU A 33 24.931 12.719 -2.910 1.00 34.86 H new ATOM 0 HD11 LEU A 33 25.494 10.552 -3.564 1.00 32.50 H new ATOM 0 HD12 LEU A 33 25.579 11.545 -4.795 1.00 32.50 H new ATOM 0 HD13 LEU A 33 26.903 11.071 -4.067 1.00 32.50 H new ATOM 0 HD21 LEU A 33 25.939 11.374 -1.285 1.00 36.81 H new ATOM 0 HD22 LEU A 33 27.354 11.959 -1.690 1.00 36.81 H new ATOM 0 HD23 LEU A 33 26.270 12.901 -1.023 1.00 36.81 H new ATOM 216 N SER A 34 26.882 16.683 -4.652 1.00 36.56 N ATOM 217 CA SER A 34 27.614 17.763 -5.303 1.00 38.86 C ATOM 218 C SER A 34 27.736 18.997 -4.390 1.00 38.22 C ATOM 219 O SER A 34 28.851 19.480 -4.134 1.00 37.84 O ATOM 220 CB SER A 34 26.902 18.152 -6.609 1.00 38.85 C ATOM 221 OG SER A 34 27.506 19.277 -7.204 1.00 44.84 O ATOM 0 H SER A 34 26.220 16.394 -5.119 1.00 36.56 H new ATOM 0 HA SER A 34 28.510 17.446 -5.495 1.00 38.86 H new ATOM 0 HB2 SER A 34 26.925 17.405 -7.227 1.00 38.85 H new ATOM 0 HB3 SER A 34 25.968 18.342 -6.427 1.00 38.85 H new ATOM 0 HG SER A 34 27.102 19.469 -7.915 1.00 44.84 H new ATOM 222 N GLU A 35 26.602 19.495 -3.910 1.00 36.22 N ATOM 223 CA GLU A 35 26.601 20.667 -3.035 1.00 37.32 C ATOM 224 C GLU A 35 27.233 20.379 -1.671 1.00 37.83 C ATOM 225 O GLU A 35 27.922 21.253 -1.130 1.00 37.09 O ATOM 226 CB GLU A 35 25.200 21.220 -2.832 1.00 38.42 C ATOM 227 CG GLU A 35 25.157 22.565 -2.032 1.00 38.81 C ATOM 228 CD GLU A 35 23.774 23.062 -1.750 1.00 40.85 C ATOM 229 OE1 GLU A 35 22.808 22.338 -2.039 1.00 44.69 O ATOM 230 OE2 GLU A 35 23.643 24.175 -1.188 1.00 47.06 O ATOM 0 H GLU A 35 25.823 19.172 -4.077 1.00 36.22 H new ATOM 0 HA GLU A 35 27.142 21.332 -3.489 1.00 37.32 H new ATOM 0 HB2 GLU A 35 24.787 21.357 -3.699 1.00 38.42 H new ATOM 0 HB3 GLU A 35 24.666 20.559 -2.365 1.00 38.42 H new ATOM 0 HG2 GLU A 35 25.625 22.445 -1.191 1.00 38.81 H new ATOM 0 HG3 GLU A 35 25.639 23.243 -2.531 1.00 38.81 H new ATOM 231 N LEU A 36 26.972 19.195 -1.100 1.00 34.16 N ATOM 232 CA LEU A 36 27.571 18.813 0.202 1.00 33.20 C ATOM 233 C LEU A 36 29.102 18.856 0.108 1.00 33.88 C ATOM 234 O LEU A 36 29.749 19.421 0.984 1.00 34.50 O ATOM 235 CB LEU A 36 27.141 17.418 0.662 1.00 32.27 C ATOM 236 CG LEU A 36 27.619 16.896 2.024 1.00 35.00 C ATOM 237 CD1 LEU A 36 27.346 17.899 3.155 1.00 35.52 C ATOM 238 CD2 LEU A 36 26.937 15.545 2.337 1.00 29.78 C ATOM 0 H LEU A 36 26.455 18.599 -1.443 1.00 34.16 H new ATOM 0 HA LEU A 36 27.251 19.454 0.856 1.00 33.20 H new ATOM 0 HB2 LEU A 36 26.171 17.398 0.666 1.00 32.27 H new ATOM 0 HB3 LEU A 36 27.435 16.785 -0.012 1.00 32.27 H new ATOM 0 HG LEU A 36 28.580 16.773 1.971 1.00 35.00 H new ATOM 0 HD11 LEU A 36 27.662 17.533 3.996 1.00 35.52 H new ATOM 0 HD12 LEU A 36 27.811 18.730 2.970 1.00 35.52 H new ATOM 0 HD13 LEU A 36 26.393 18.069 3.214 1.00 35.52 H new ATOM 0 HD21 LEU A 36 27.243 15.220 3.198 1.00 29.78 H new ATOM 0 HD22 LEU A 36 25.975 15.666 2.360 1.00 29.78 H new ATOM 0 HD23 LEU A 36 27.165 14.900 1.649 1.00 29.78 H new ATOM 239 N ALA A 37 29.649 18.263 -0.947 1.00 36.23 N ATOM 240 CA ALA A 37 31.091 18.268 -1.188 1.00 37.19 C ATOM 241 C ALA A 37 31.606 19.699 -1.310 1.00 38.88 C ATOM 242 O ALA A 37 32.591 20.059 -0.663 1.00 41.43 O ATOM 243 CB ALA A 37 31.458 17.456 -2.457 1.00 36.96 C ATOM 0 H ALA A 37 29.195 17.845 -1.546 1.00 36.23 H new ATOM 0 HA ALA A 37 31.518 17.842 -0.428 1.00 37.19 H new ATOM 0 HB1 ALA A 37 32.419 17.478 -2.589 1.00 36.96 H new ATOM 0 HB2 ALA A 37 31.168 16.537 -2.348 1.00 36.96 H new ATOM 0 HB3 ALA A 37 31.017 17.844 -3.229 1.00 36.96 H new ATOM 244 N ALA A 38 30.919 20.513 -2.111 1.00 39.95 N ATOM 245 CA ALA A 38 31.301 21.911 -2.321 1.00 41.20 C ATOM 246 C ALA A 38 31.272 22.721 -1.007 1.00 43.20 C ATOM 247 O ALA A 38 32.188 23.502 -0.750 1.00 45.02 O ATOM 248 CB ALA A 38 30.427 22.549 -3.382 1.00 39.34 C ATOM 0 H ALA A 38 30.219 20.271 -2.548 1.00 39.95 H new ATOM 0 HA ALA A 38 32.218 21.921 -2.636 1.00 41.20 H new ATOM 0 HB1 ALA A 38 30.693 23.473 -3.508 1.00 39.34 H new ATOM 0 HB2 ALA A 38 30.528 22.067 -4.218 1.00 39.34 H new ATOM 0 HB3 ALA A 38 29.499 22.516 -3.100 1.00 39.34 H new ATOM 249 N ARG A 39 30.248 22.489 -0.182 1.00 44.73 N ATOM 250 CA AARG A 39 30.090 23.181 1.107 0.50 45.52 C ATOM 251 CA BARG A 39 30.089 23.184 1.108 0.50 45.50 C ATOM 252 C ARG A 39 31.072 22.693 2.173 1.00 47.37 C ATOM 253 O ARG A 39 31.533 23.485 2.997 1.00 47.67 O ATOM 254 CB AARG A 39 28.661 23.025 1.633 0.50 44.87 C ATOM 255 CB BARG A 39 28.644 23.070 1.613 0.50 44.75 C ATOM 256 CG AARG A 39 28.325 23.835 2.901 0.50 45.80 C ATOM 257 CG BARG A 39 27.656 23.927 0.834 0.50 45.87 C ATOM 258 CD AARG A 39 28.312 25.348 2.648 0.50 49.37 C ATOM 259 CD BARG A 39 27.565 25.372 1.349 0.50 48.39 C ATOM 260 NE AARG A 39 27.242 25.686 1.709 0.50 50.78 N ATOM 261 NE BARG A 39 26.687 25.508 2.531 0.50 50.44 N ATOM 262 CZ AARG A 39 25.940 25.751 2.008 0.50 47.90 C ATOM 263 CZ BARG A 39 27.054 25.524 3.825 0.50 46.67 C ATOM 264 NH1AARG A 39 25.071 26.053 1.045 0.50 49.41 N ATOM 265 NH1BARG A 39 28.329 25.430 4.227 0.50 50.37 N ATOM 266 NH2AARG A 39 25.497 25.513 3.248 0.50 42.42 N ATOM 267 NH2BARG A 39 26.114 25.647 4.753 0.50 42.26 N ATOM 0 H AARG A 39 29.622 21.924 -0.353 0.50 44.73 H new ATOM 0 H BARG A 39 29.623 21.924 -0.352 0.50 44.73 H new ATOM 0 HA AARG A 39 30.283 24.116 0.934 0.50 45.50 H new ATOM 0 HA BARG A 39 30.295 24.118 0.947 0.50 45.50 H new ATOM 0 HB2AARG A 39 28.045 23.285 0.930 0.50 44.75 H new ATOM 0 HB2BARG A 39 28.365 22.142 1.564 0.50 44.75 H new ATOM 0 HB3AARG A 39 28.502 22.086 1.817 0.50 44.75 H new ATOM 0 HB3BARG A 39 28.615 23.326 2.548 0.50 44.75 H new ATOM 0 HG2AARG A 39 27.458 23.559 3.237 0.50 45.87 H new ATOM 0 HG2BARG A 39 27.915 23.939 -0.101 0.50 45.87 H new ATOM 0 HG3AARG A 39 28.974 23.632 3.592 0.50 45.87 H new ATOM 0 HG3BARG A 39 26.777 23.518 0.879 0.50 45.87 H new ATOM 0 HD2AARG A 39 28.182 25.823 3.484 0.50 48.39 H new ATOM 0 HD2BARG A 39 28.454 25.687 1.575 0.50 48.39 H new ATOM 0 HD3AARG A 39 29.168 25.632 2.291 0.50 48.39 H new ATOM 0 HD3BARG A 39 27.234 25.943 0.639 0.50 48.39 H new ATOM 0 HE AARG A 39 27.469 25.857 0.897 0.50 50.44 H new ATOM 0 HE BARG A 39 25.845 25.586 2.373 0.50 50.44 H new ATOM 0 HH11AARG A 39 25.350 26.203 0.245 0.50 50.37 H new ATOM 0 HH11BARG A 39 28.959 25.355 3.646 0.50 50.37 H new ATOM 0 HH12AARG A 39 24.231 26.098 1.223 0.50 50.37 H new ATOM 0 HH12BARG A 39 28.518 25.445 5.066 0.50 50.37 H new ATOM 0 HH21AARG A 39 26.054 25.313 3.873 0.50 42.26 H new ATOM 0 HH21BARG A 39 25.288 25.715 4.522 0.50 42.26 H new ATOM 0 HH22AARG A 39 24.656 25.560 3.420 0.50 42.26 H new ATOM 0 HH22BARG A 39 26.330 25.659 5.585 0.50 42.26 H new ATOM 268 N ALA A 40 31.373 21.390 2.171 1.00 47.98 N ATOM 269 CA ALA A 40 32.286 20.783 3.159 1.00 48.14 C ATOM 270 C ALA A 40 33.759 20.963 2.850 1.00 48.49 C ATOM 271 O ALA A 40 34.594 20.638 3.699 1.00 50.34 O ATOM 272 CB ALA A 40 31.991 19.283 3.332 1.00 48.07 C ATOM 0 H ALA A 40 31.056 20.831 1.599 1.00 47.98 H new ATOM 0 HA ALA A 40 32.111 21.265 3.983 1.00 48.14 H new ATOM 0 HB1 ALA A 40 32.602 18.906 3.984 1.00 48.07 H new ATOM 0 HB2 ALA A 40 31.078 19.166 3.639 1.00 48.07 H new ATOM 0 HB3 ALA A 40 32.107 18.830 2.482 1.00 48.07 H new ATOM 273 N GLY A 41 34.091 21.430 1.651 1.00 45.86 N ATOM 274 CA GLY A 41 35.465 21.608 1.281 1.00 48.09 C ATOM 275 C GLY A 41 36.198 20.344 0.901 1.00 50.12 C ATOM 276 O GLY A 41 37.434 20.324 0.980 1.00 52.54 O ATOM 0 H GLY A 41 33.524 21.648 1.042 1.00 45.86 H new ATOM 0 HA2 GLY A 41 35.506 22.226 0.534 1.00 48.09 H new ATOM 0 HA3 GLY A 41 35.933 22.026 2.021 1.00 48.09 H new ATOM 277 N ILE A 42 35.459 19.297 0.498 1.00 52.10 N ATOM 278 CA ILE A 42 36.033 18.012 -0.011 1.00 49.47 C ATOM 279 C ILE A 42 35.538 17.750 -1.447 1.00 49.31 C ATOM 280 O ILE A 42 34.667 18.463 -1.949 1.00 50.88 O ATOM 281 CB ILE A 42 35.748 16.823 0.937 1.00 50.76 C ATOM 282 CG1 ILE A 42 34.242 16.478 1.017 1.00 46.91 C ATOM 283 CG2 ILE A 42 36.329 17.128 2.331 1.00 50.41 C ATOM 284 CD1 ILE A 42 33.938 15.346 1.970 1.00 49.85 C ATOM 0 H ILE A 42 34.599 19.304 0.509 1.00 52.10 H new ATOM 0 HA ILE A 42 36.999 18.099 -0.034 1.00 49.47 H new ATOM 0 HB ILE A 42 36.184 16.036 0.573 1.00 50.76 H new ATOM 0 HG12 ILE A 42 33.750 17.267 1.294 1.00 46.91 H new ATOM 0 HG13 ILE A 42 33.923 16.242 0.132 1.00 46.91 H new ATOM 0 HG21 ILE A 42 36.151 16.383 2.926 1.00 50.41 H new ATOM 0 HG22 ILE A 42 37.287 17.263 2.260 1.00 50.41 H new ATOM 0 HG23 ILE A 42 35.915 17.931 2.686 1.00 50.41 H new ATOM 0 HD11 ILE A 42 32.983 15.177 1.977 1.00 49.85 H new ATOM 0 HD12 ILE A 42 34.406 14.546 1.683 1.00 49.85 H new ATOM 0 HD13 ILE A 42 34.230 15.587 2.863 1.00 49.85 H new ATOM 285 N SER A 43 36.127 16.768 -2.128 1.00 49.01 N ATOM 286 CA SER A 43 35.702 16.408 -3.497 1.00 47.51 C ATOM 287 C SER A 43 34.562 15.394 -3.459 1.00 46.73 C ATOM 288 O SER A 43 34.364 14.737 -2.430 1.00 44.07 O ATOM 289 CB SER A 43 36.858 15.792 -4.265 1.00 49.70 C ATOM 290 OG SER A 43 37.304 14.596 -3.648 1.00 51.52 O ATOM 0 H SER A 43 36.775 16.294 -1.821 1.00 49.01 H new ATOM 0 HA SER A 43 35.405 17.221 -3.935 1.00 47.51 H new ATOM 0 HB2 SER A 43 36.582 15.605 -5.176 1.00 49.70 H new ATOM 0 HB3 SER A 43 37.591 16.426 -4.315 1.00 49.70 H new ATOM 0 HG SER A 43 37.941 14.273 -4.090 1.00 51.52 H new ATOM 291 N GLN A 44 33.837 15.267 -4.577 1.00 46.24 N ATOM 292 CA GLN A 44 32.745 14.269 -4.710 1.00 48.35 C ATOM 293 C GLN A 44 33.270 12.839 -4.513 1.00 46.78 C ATOM 294 O GLN A 44 32.607 12.019 -3.890 1.00 46.33 O ATOM 295 CB GLN A 44 31.987 14.409 -6.040 1.00 47.62 C ATOM 296 CG GLN A 44 31.081 15.652 -6.086 1.00 53.58 C ATOM 297 CD GLN A 44 30.269 15.792 -7.381 1.00 53.32 C ATOM 298 OE1 GLN A 44 29.857 14.805 -7.986 1.00 70.01 O ATOM 299 NE2 GLN A 44 30.020 17.031 -7.791 1.00 65.62 N ATOM 0 H GLN A 44 33.957 15.750 -5.279 1.00 46.24 H new ATOM 0 HA GLN A 44 32.107 14.453 -4.003 1.00 48.35 H new ATOM 0 HB2 GLN A 44 32.626 14.454 -6.768 1.00 47.62 H new ATOM 0 HB3 GLN A 44 31.448 13.616 -6.184 1.00 47.62 H new ATOM 0 HG2 GLN A 44 30.469 15.621 -5.334 1.00 53.58 H new ATOM 0 HG3 GLN A 44 31.630 16.444 -5.973 1.00 53.58 H new ATOM 0 HE21 GLN A 44 30.323 17.701 -7.345 1.00 65.62 H new ATOM 0 HE22 GLN A 44 29.556 17.163 -8.503 1.00 65.62 H new ATOM 300 N ALA A 45 34.474 12.577 -5.019 1.00 45.72 N ATOM 301 CA ALA A 45 35.166 11.298 -4.830 1.00 45.98 C ATOM 302 C ALA A 45 35.514 11.063 -3.349 1.00 44.92 C ATOM 303 O ALA A 45 35.342 9.963 -2.840 1.00 44.21 O ATOM 304 CB ALA A 45 36.453 11.232 -5.715 1.00 45.43 C ATOM 0 H ALA A 45 34.919 13.144 -5.488 1.00 45.72 H new ATOM 0 HA ALA A 45 34.563 10.591 -5.109 1.00 45.98 H new ATOM 0 HB1 ALA A 45 36.897 10.381 -5.577 1.00 45.43 H new ATOM 0 HB2 ALA A 45 36.208 11.321 -6.649 1.00 45.43 H new ATOM 0 HB3 ALA A 45 37.053 11.953 -5.468 1.00 45.43 H new ATOM 305 N ASN A 46 35.991 12.098 -2.662 1.00 44.97 N ATOM 306 CA ASN A 46 36.335 11.987 -1.228 1.00 46.21 C ATOM 307 C ASN A 46 35.076 11.831 -0.369 1.00 45.13 C ATOM 308 O ASN A 46 35.081 11.128 0.659 1.00 45.10 O ATOM 309 CB ASN A 46 37.153 13.204 -0.790 1.00 49.96 C ATOM 310 CG ASN A 46 37.974 12.945 0.445 1.00 58.67 C ATOM 311 OD1 ASN A 46 37.451 12.854 1.556 1.00 64.75 O ATOM 312 ND2 ASN A 46 39.293 12.862 0.259 1.00 65.28 N ATOM 0 H ASN A 46 36.126 12.877 -3.000 1.00 44.97 H new ATOM 0 HA ASN A 46 36.874 11.191 -1.101 1.00 46.21 H new ATOM 0 HB2 ASN A 46 37.741 13.470 -1.514 1.00 49.96 H new ATOM 0 HB3 ASN A 46 36.553 13.948 -0.624 1.00 49.96 H new ATOM 0 HD21 ASN A 46 39.815 12.740 0.931 1.00 65.28 H new ATOM 0 HD22 ASN A 46 39.621 12.930 -0.533 1.00 65.28 H new ATOM 313 N LEU A 47 34.000 12.502 -0.793 1.00 43.58 N ATOM 314 CA LEU A 47 32.695 12.402 -0.117 1.00 40.29 C ATOM 315 C LEU A 47 32.129 10.976 -0.165 1.00 40.35 C ATOM 316 O LEU A 47 31.489 10.537 0.794 1.00 41.03 O ATOM 317 CB LEU A 47 31.681 13.384 -0.722 1.00 39.28 C ATOM 318 CG LEU A 47 30.301 13.479 -0.047 1.00 36.34 C ATOM 319 CD1 LEU A 47 30.393 13.936 1.424 1.00 33.64 C ATOM 320 CD2 LEU A 47 29.446 14.431 -0.856 1.00 37.65 C ATOM 0 H LEU A 47 34.003 13.025 -1.476 1.00 43.58 H new ATOM 0 HA LEU A 47 32.845 12.635 0.812 1.00 40.29 H new ATOM 0 HB2 LEU A 47 32.079 14.268 -0.716 1.00 39.28 H new ATOM 0 HB3 LEU A 47 31.545 13.140 -1.651 1.00 39.28 H new ATOM 0 HG LEU A 47 29.901 12.596 -0.027 1.00 36.34 H new ATOM 0 HD11 LEU A 47 29.502 13.981 1.805 1.00 33.64 H new ATOM 0 HD12 LEU A 47 30.928 13.302 1.927 1.00 33.64 H new ATOM 0 HD13 LEU A 47 30.806 14.813 1.465 1.00 33.64 H new ATOM 0 HD21 LEU A 47 28.569 14.506 -0.447 1.00 37.65 H new ATOM 0 HD22 LEU A 47 29.867 15.304 -0.879 1.00 37.65 H new ATOM 0 HD23 LEU A 47 29.353 14.093 -1.761 1.00 37.65 H new ATOM 321 N SER A 48 32.363 10.267 -1.270 1.00 42.18 N ATOM 322 CA SER A 48 31.916 8.872 -1.405 1.00 44.33 C ATOM 323 C SER A 48 32.584 7.896 -0.416 1.00 45.83 C ATOM 324 O SER A 48 32.089 6.791 -0.245 1.00 46.01 O ATOM 325 CB SER A 48 32.038 8.379 -2.833 1.00 43.38 C ATOM 326 OG SER A 48 33.379 8.431 -3.231 1.00 51.75 O ATOM 0 H SER A 48 32.780 10.574 -1.957 1.00 42.18 H new ATOM 0 HA SER A 48 30.976 8.884 -1.165 1.00 44.33 H new ATOM 0 HB2 SER A 48 31.705 7.470 -2.901 1.00 43.38 H new ATOM 0 HB3 SER A 48 31.494 8.925 -3.422 1.00 43.38 H new ATOM 0 HG SER A 48 33.776 9.035 -2.802 1.00 51.75 H new ATOM 327 N ARG A 49 33.689 8.305 0.224 1.00 47.65 N ATOM 328 CA ARG A 49 34.324 7.534 1.312 1.00 47.76 C ATOM 329 C ARG A 49 33.463 7.528 2.579 1.00 48.03 C ATOM 330 O ARG A 49 33.561 6.610 3.393 1.00 48.88 O ATOM 331 CB ARG A 49 35.729 8.084 1.631 1.00 49.43 C ATOM 0 H ARG A 49 34.094 9.041 0.040 1.00 47.65 H new ATOM 0 HA ARG A 49 34.409 6.619 1.001 1.00 47.76 H new ATOM 332 N TYR A 50 32.618 8.553 2.744 1.00 46.77 N ATOM 333 CA TYR A 50 31.706 8.678 3.876 1.00 45.22 C ATOM 334 C TYR A 50 30.284 8.221 3.535 1.00 42.75 C ATOM 335 O TYR A 50 29.602 7.689 4.395 1.00 41.30 O ATOM 336 CB TYR A 50 31.684 10.134 4.379 1.00 47.33 C ATOM 337 CG TYR A 50 33.073 10.627 4.707 1.00 47.49 C ATOM 338 CD1 TYR A 50 33.673 10.345 5.945 1.00 54.85 C ATOM 339 CD2 TYR A 50 33.810 11.337 3.761 1.00 49.71 C ATOM 340 CE1 TYR A 50 34.991 10.782 6.232 1.00 53.54 C ATOM 341 CE2 TYR A 50 35.114 11.776 4.032 1.00 55.68 C ATOM 342 CZ TYR A 50 35.699 11.496 5.269 1.00 53.91 C ATOM 343 OH TYR A 50 36.990 11.935 5.507 1.00 56.29 O ATOM 0 H TYR A 50 32.562 9.206 2.187 1.00 46.77 H new ATOM 0 HA TYR A 50 32.037 8.093 4.576 1.00 45.22 H new ATOM 0 HB2 TYR A 50 31.288 10.705 3.703 1.00 47.33 H new ATOM 0 HB3 TYR A 50 31.123 10.197 5.167 1.00 47.33 H new ATOM 0 HD1 TYR A 50 33.199 9.865 6.585 1.00 54.85 H new ATOM 0 HD2 TYR A 50 33.429 11.523 2.933 1.00 49.71 H new ATOM 0 HE1 TYR A 50 35.379 10.593 7.056 1.00 53.54 H new ATOM 0 HE2 TYR A 50 35.588 12.253 3.389 1.00 55.68 H new ATOM 0 HH TYR A 50 37.275 12.346 4.832 1.00 56.29 H new ATOM 344 N PHE A 51 29.843 8.461 2.298 1.00 40.44 N ATOM 345 CA PHE A 51 28.494 8.096 1.829 1.00 39.77 C ATOM 346 C PHE A 51 28.647 7.395 0.498 1.00 38.42 C ATOM 347 O PHE A 51 28.796 8.039 -0.542 1.00 38.95 O ATOM 348 CB PHE A 51 27.603 9.335 1.720 1.00 38.81 C ATOM 349 CG PHE A 51 27.569 10.150 2.973 1.00 38.06 C ATOM 350 CD1 PHE A 51 26.864 9.702 4.075 1.00 36.47 C ATOM 351 CD2 PHE A 51 28.268 11.350 3.062 1.00 35.70 C ATOM 352 CE1 PHE A 51 26.846 10.431 5.254 1.00 39.36 C ATOM 353 CE2 PHE A 51 28.255 12.094 4.237 1.00 34.92 C ATOM 354 CZ PHE A 51 27.537 11.641 5.331 1.00 38.86 C ATOM 0 H PHE A 51 30.323 8.845 1.697 1.00 40.44 H new ATOM 0 HA PHE A 51 28.060 7.503 2.462 1.00 39.77 H new ATOM 0 HB2 PHE A 51 27.919 9.889 0.989 1.00 38.81 H new ATOM 0 HB3 PHE A 51 26.700 9.058 1.497 1.00 38.81 H new ATOM 0 HD1 PHE A 51 26.395 8.900 4.024 1.00 36.47 H new ATOM 0 HD2 PHE A 51 28.749 11.658 2.328 1.00 35.70 H new ATOM 0 HE1 PHE A 51 26.375 10.115 5.991 1.00 39.36 H new ATOM 0 HE2 PHE A 51 28.727 12.894 4.288 1.00 34.92 H new ATOM 0 HZ PHE A 51 27.515 12.142 6.115 1.00 38.86 H new ATOM 355 N GLU A 52 28.616 6.065 0.537 1.00 38.11 N ATOM 356 CA GLU A 52 28.823 5.239 -0.665 1.00 39.07 C ATOM 357 C GLU A 52 27.795 5.510 -1.771 1.00 37.63 C ATOM 358 O GLU A 52 28.123 5.483 -2.962 1.00 37.69 O ATOM 359 CB GLU A 52 28.796 3.746 -0.308 1.00 40.43 C ATOM 0 H GLU A 52 28.475 5.612 1.255 1.00 38.11 H new ATOM 0 HA GLU A 52 29.695 5.487 -1.010 1.00 39.07 H new ATOM 360 N THR A 53 26.560 5.752 -1.355 1.00 36.26 N ATOM 361 CA THR A 53 25.454 6.033 -2.251 1.00 34.53 C ATOM 362 C THR A 53 24.736 7.286 -1.791 1.00 33.42 C ATOM 363 O THR A 53 24.869 7.720 -0.627 1.00 32.91 O ATOM 364 CB THR A 53 24.440 4.863 -2.234 1.00 33.70 C ATOM 365 OG1 THR A 53 23.877 4.725 -0.930 1.00 34.73 O ATOM 366 CG2 THR A 53 25.111 3.533 -2.668 1.00 30.78 C ATOM 0 H THR A 53 26.338 5.757 -0.524 1.00 36.26 H new ATOM 0 HA THR A 53 25.806 6.151 -3.147 1.00 34.53 H new ATOM 0 HB THR A 53 23.735 5.065 -2.868 1.00 33.70 H new ATOM 0 HG1 THR A 53 23.327 4.090 -0.928 1.00 34.73 H new ATOM 0 HG21 THR A 53 24.456 2.818 -2.649 1.00 30.78 H new ATOM 0 HG22 THR A 53 25.461 3.626 -3.568 1.00 30.78 H new ATOM 0 HG23 THR A 53 25.836 3.323 -2.059 1.00 30.78 H new ATOM 367 N ARG A 54 23.970 7.878 -2.702 1.00 30.96 N ATOM 368 CA ARG A 54 23.108 9.003 -2.321 1.00 31.14 C ATOM 369 C ARG A 54 22.130 8.554 -1.232 1.00 30.90 C ATOM 370 O ARG A 54 21.853 9.310 -0.292 1.00 31.39 O ATOM 371 CB ARG A 54 22.299 9.510 -3.514 1.00 32.45 C ATOM 372 CG ARG A 54 21.313 10.641 -3.172 1.00 35.35 C ATOM 373 CD ARG A 54 20.280 10.718 -4.195 1.00 47.18 C ATOM 374 NE ARG A 54 19.478 11.924 -4.052 1.00 43.66 N ATOM 375 CZ ARG A 54 18.266 12.029 -3.515 1.00 40.11 C ATOM 376 NH1 ARG A 54 17.549 10.995 -3.098 1.00 39.47 N ATOM 377 NH2 ARG A 54 17.713 13.221 -3.512 1.00 40.19 N ATOM 0 H ARG A 54 23.931 7.652 -3.531 1.00 30.96 H new ATOM 0 HA ARG A 54 23.678 9.718 -1.998 1.00 31.14 H new ATOM 0 HB2 ARG A 54 22.912 9.824 -4.197 1.00 32.45 H new ATOM 0 HB3 ARG A 54 21.805 8.768 -3.896 1.00 32.45 H new ATOM 0 HG2 ARG A 54 20.910 10.479 -2.305 1.00 35.35 H new ATOM 0 HG3 ARG A 54 21.785 11.486 -3.112 1.00 35.35 H new ATOM 0 HD2 ARG A 54 20.691 10.703 -5.073 1.00 47.18 H new ATOM 0 HD3 ARG A 54 19.707 9.938 -4.137 1.00 47.18 H new ATOM 0 HE ARG A 54 19.828 12.652 -4.349 1.00 43.66 H new ATOM 0 HH11 ARG A 54 17.864 10.198 -3.168 1.00 39.47 H new ATOM 0 HH12 ARG A 54 16.769 11.122 -2.758 1.00 39.47 H new ATOM 0 HH21 ARG A 54 18.134 13.891 -3.848 1.00 40.19 H new ATOM 0 HH22 ARG A 54 16.930 13.331 -3.174 1.00 40.19 H new ATOM 378 N GLU A 55 21.599 7.343 -1.369 1.00 31.00 N ATOM 379 CA GLU A 55 20.669 6.811 -0.389 1.00 31.75 C ATOM 380 C GLU A 55 21.261 6.766 1.031 1.00 31.38 C ATOM 381 O GLU A 55 20.570 7.110 1.990 1.00 30.61 O ATOM 382 CB GLU A 55 20.131 5.441 -0.805 1.00 33.48 C ATOM 383 CG GLU A 55 19.028 4.936 0.108 1.00 36.62 C ATOM 384 CD GLU A 55 17.796 5.864 0.170 1.00 37.36 C ATOM 385 OE1 GLU A 55 17.337 6.331 -0.898 1.00 40.83 O ATOM 386 OE2 GLU A 55 17.292 6.113 1.277 1.00 39.10 O ATOM 0 H GLU A 55 21.767 6.814 -2.026 1.00 31.00 H new ATOM 0 HA GLU A 55 19.923 7.430 -0.362 1.00 31.75 H new ATOM 0 HB2 GLU A 55 19.794 5.493 -1.713 1.00 33.48 H new ATOM 0 HB3 GLU A 55 20.859 4.800 -0.809 1.00 33.48 H new ATOM 0 HG2 GLU A 55 18.746 4.058 -0.194 1.00 36.62 H new ATOM 0 HG3 GLU A 55 19.385 4.827 1.003 1.00 36.62 H new ATOM 387 N ASP A 56 22.537 6.404 1.156 1.00 32.88 N ATOM 388 CA ASP A 56 23.212 6.408 2.461 1.00 34.91 C ATOM 389 C ASP A 56 23.228 7.803 3.063 1.00 34.68 C ATOM 390 O ASP A 56 23.027 7.941 4.259 1.00 34.61 O ATOM 391 CB ASP A 56 24.660 5.896 2.356 1.00 36.54 C ATOM 392 CG ASP A 56 24.744 4.412 2.080 1.00 43.44 C ATOM 393 OD1 ASP A 56 23.890 3.637 2.573 1.00 53.21 O ATOM 394 OD2 ASP A 56 25.693 4.022 1.363 1.00 52.84 O ATOM 0 H ASP A 56 23.032 6.152 0.500 1.00 32.88 H new ATOM 0 HA ASP A 56 22.708 5.811 3.035 1.00 34.91 H new ATOM 0 HB2 ASP A 56 25.117 6.378 1.649 1.00 36.54 H new ATOM 0 HB3 ASP A 56 25.128 6.093 3.182 1.00 36.54 H new ATOM 395 N LEU A 57 23.482 8.828 2.245 1.00 33.28 N ATOM 396 CA LEU A 57 23.412 10.211 2.724 1.00 32.83 C ATOM 397 C LEU A 57 21.980 10.533 3.209 1.00 31.68 C ATOM 398 O LEU A 57 21.805 11.100 4.286 1.00 31.90 O ATOM 399 CB LEU A 57 23.858 11.211 1.650 1.00 33.59 C ATOM 400 CG LEU A 57 23.735 12.704 2.030 1.00 33.63 C ATOM 401 CD1 LEU A 57 24.496 13.056 3.318 1.00 33.36 C ATOM 402 CD2 LEU A 57 24.177 13.546 0.842 1.00 34.70 C ATOM 0 H LEU A 57 23.695 8.745 1.416 1.00 33.28 H new ATOM 0 HA LEU A 57 24.026 10.298 3.470 1.00 32.83 H new ATOM 0 HB2 LEU A 57 24.783 11.027 1.425 1.00 33.59 H new ATOM 0 HB3 LEU A 57 23.335 11.054 0.849 1.00 33.59 H new ATOM 0 HG LEU A 57 22.807 12.901 2.232 1.00 33.63 H new ATOM 0 HD11 LEU A 57 24.387 14.000 3.511 1.00 33.36 H new ATOM 0 HD12 LEU A 57 24.144 12.533 4.055 1.00 33.36 H new ATOM 0 HD13 LEU A 57 25.438 12.857 3.202 1.00 33.36 H new ATOM 0 HD21 LEU A 57 24.105 14.487 1.067 1.00 34.70 H new ATOM 0 HD22 LEU A 57 25.098 13.337 0.622 1.00 34.70 H new ATOM 0 HD23 LEU A 57 23.610 13.352 0.079 1.00 34.70 H new HETATM 403 N MSE A 58 20.982 10.179 2.406 1.00 33.69 N HETATM 404 CA MSE A 58 19.579 10.399 2.774 1.00 32.84 C HETATM 405 C MSE A 58 19.221 9.671 4.083 1.00 35.09 C HETATM 406 O MSE A 58 18.503 10.247 4.913 1.00 35.94 O HETATM 407 CB MSE A 58 18.611 9.987 1.666 1.00 34.65 C HETATM 408 CG MSE A 58 18.734 10.724 0.311 1.00 37.83 C HETATM 409 SE MSE A 58 18.632 12.652 0.491 0.75 42.32 SE HETATM 410 CE MSE A 58 20.450 12.997 0.609 1.00 43.23 C HETATM 0 H MSE A 58 21.093 9.808 1.638 1.00 33.69 H new HETATM 0 HA MSE A 58 19.482 11.355 2.909 1.00 32.84 H new HETATM 0 HB2 MSE A 58 18.726 9.038 1.504 1.00 34.65 H new HETATM 0 HB3 MSE A 58 17.707 10.111 1.995 1.00 34.65 H new HETATM 0 HG2 MSE A 58 19.577 10.487 -0.106 1.00 37.83 H new HETATM 0 HG3 MSE A 58 18.029 10.421 -0.282 1.00 37.83 H new HETATM 0 HE1 MSE A 58 20.593 13.951 0.707 1.00 43.23 H new HETATM 0 HE2 MSE A 58 20.818 12.535 1.378 1.00 43.23 H new HETATM 0 HE3 MSE A 58 20.892 12.686 -0.197 1.00 43.23 H new ATOM 411 N GLU A 59 19.712 8.433 4.259 1.00 35.36 N ATOM 412 CA AGLU A 59 19.493 7.664 5.501 0.50 36.29 C ATOM 413 CA BGLU A 59 19.484 7.683 5.520 0.50 36.59 C ATOM 414 C GLU A 59 20.174 8.357 6.698 1.00 35.25 C ATOM 415 O GLU A 59 19.608 8.445 7.782 1.00 38.56 O ATOM 416 CB AGLU A 59 20.026 6.226 5.363 0.50 36.90 C ATOM 417 CB BGLU A 59 19.910 6.199 5.435 0.50 38.06 C ATOM 418 CG AGLU A 59 19.252 5.324 4.385 0.50 38.75 C ATOM 419 CG BGLU A 59 18.758 5.212 5.390 0.50 46.19 C ATOM 420 CD AGLU A 59 19.911 3.956 4.113 0.50 39.54 C ATOM 421 CD BGLU A 59 18.123 4.981 6.755 0.50 53.37 C ATOM 422 OE1AGLU A 59 21.006 3.659 4.644 0.50 45.32 O ATOM 423 OE1BGLU A 59 18.786 4.394 7.640 0.50 61.91 O ATOM 424 OE2AGLU A 59 19.326 3.167 3.344 0.50 38.02 O ATOM 425 OE2BGLU A 59 16.950 5.357 6.938 0.50 56.81 O ATOM 0 H AGLU A 59 20.178 8.018 3.667 0.50 35.36 H new ATOM 0 H BGLU A 59 20.175 8.010 3.671 0.50 35.36 H new ATOM 0 HA AGLU A 59 18.537 7.627 5.658 0.50 36.59 H new ATOM 0 HA BGLU A 59 18.525 7.696 5.662 0.50 36.59 H new ATOM 0 HB2AGLU A 59 20.952 6.267 5.077 0.50 38.06 H new ATOM 0 HB2BGLU A 59 20.456 6.077 4.643 0.50 38.06 H new ATOM 0 HB3AGLU A 59 20.018 5.809 6.239 0.50 38.06 H new ATOM 0 HB3BGLU A 59 20.469 5.991 6.200 0.50 38.06 H new ATOM 0 HG2AGLU A 59 18.360 5.176 4.737 0.50 46.19 H new ATOM 0 HG2BGLU A 59 18.082 5.538 4.775 0.50 46.19 H new ATOM 0 HG3AGLU A 59 19.150 5.794 3.542 0.50 46.19 H new ATOM 0 HG3BGLU A 59 19.077 4.366 5.039 0.50 46.19 H new ATOM 426 N ALA A 60 21.392 8.837 6.486 1.00 34.55 N ATOM 427 CA ALA A 60 22.164 9.503 7.523 1.00 36.57 C ATOM 428 C ALA A 60 21.471 10.762 8.027 1.00 36.90 C ATOM 429 O ALA A 60 21.363 10.945 9.238 1.00 37.60 O ATOM 430 CB ALA A 60 23.591 9.819 7.024 1.00 36.36 C ATOM 0 H ALA A 60 21.797 8.785 5.729 1.00 34.55 H new ATOM 0 HA ALA A 60 22.230 8.893 8.274 1.00 36.57 H new ATOM 0 HB1 ALA A 60 24.090 10.262 7.728 1.00 36.36 H new ATOM 0 HB2 ALA A 60 24.039 8.994 6.781 1.00 36.36 H new ATOM 0 HB3 ALA A 60 23.542 10.400 6.249 1.00 36.36 H new ATOM 431 N ILE A 61 20.990 11.607 7.114 1.00 35.28 N ATOM 432 CA AILE A 61 20.295 12.842 7.489 0.50 34.89 C ATOM 433 CA BILE A 61 20.311 12.844 7.535 0.50 36.27 C ATOM 434 C ILE A 61 19.009 12.538 8.274 1.00 35.21 C ATOM 435 O ILE A 61 18.679 13.236 9.232 1.00 36.13 O ATOM 436 CB AILE A 61 20.023 13.716 6.247 0.50 33.61 C ATOM 437 CB BILE A 61 20.116 13.898 6.408 0.50 36.40 C ATOM 438 CG1AILE A 61 21.364 14.178 5.647 0.50 35.83 C ATOM 439 CG1BILE A 61 19.175 13.431 5.306 0.50 35.26 C ATOM 440 CG2AILE A 61 19.228 14.959 6.606 0.50 30.40 C ATOM 441 CG2BILE A 61 21.487 14.276 5.814 0.50 38.59 C ATOM 442 CD1AILE A 61 21.220 14.757 4.328 0.50 32.87 C ATOM 443 CD1BILE A 61 18.889 14.515 4.290 0.50 37.68 C ATOM 0 H AILE A 61 21.056 11.483 6.266 0.50 35.28 H new ATOM 0 H BILE A 61 21.042 11.491 6.264 0.50 35.28 H new ATOM 0 HA AILE A 61 20.873 13.350 8.079 0.50 36.27 H new ATOM 0 HA BILE A 61 20.920 13.272 8.157 0.50 36.27 H new ATOM 0 HB AILE A 61 19.516 13.181 5.616 0.50 36.40 H new ATOM 0 HB BILE A 61 19.699 14.675 6.812 0.50 36.40 H new ATOM 0 HG12AILE A 61 21.771 14.830 6.239 0.50 35.26 H new ATOM 0 HG12BILE A 61 19.564 12.665 4.856 0.50 35.26 H new ATOM 0 HG13AILE A 61 21.970 13.422 5.599 0.50 35.26 H new ATOM 0 HG13BILE A 61 18.340 13.134 5.702 0.50 35.26 H new ATOM 0 HG21AILE A 61 19.073 15.487 5.807 0.50 38.59 H new ATOM 0 HG21BILE A 61 21.365 14.933 5.111 0.50 38.59 H new ATOM 0 HG22AILE A 61 18.377 14.699 6.991 0.50 38.59 H new ATOM 0 HG22BILE A 61 22.050 14.649 6.511 0.50 38.59 H new ATOM 0 HG23AILE A 61 19.726 15.487 7.250 0.50 38.59 H new ATOM 0 HG23BILE A 61 21.910 13.484 5.446 0.50 38.59 H new ATOM 0 HD11AILE A 61 22.090 15.030 3.998 0.50 37.68 H new ATOM 0 HD11BILE A 61 18.288 14.172 3.611 0.50 37.68 H new ATOM 0 HD12AILE A 61 20.838 14.100 3.726 0.50 37.68 H new ATOM 0 HD12BILE A 61 18.477 15.273 4.733 0.50 37.68 H new ATOM 0 HD13AILE A 61 20.636 15.530 4.376 0.50 37.68 H new ATOM 0 HD13BILE A 61 19.719 14.796 3.874 0.50 37.68 H new ATOM 444 N ALA A 62 18.293 11.500 7.853 1.00 36.64 N ATOM 445 CA ALA A 62 17.050 11.075 8.538 1.00 37.61 C ATOM 446 C ALA A 62 17.386 10.625 9.972 1.00 38.33 C ATOM 447 O ALA A 62 16.843 11.162 10.953 1.00 37.64 O ATOM 448 CB ALA A 62 16.344 9.987 7.768 1.00 34.74 C ATOM 0 H ALA A 62 18.502 11.020 7.171 1.00 36.64 H new ATOM 0 HA ALA A 62 16.440 11.828 8.581 1.00 37.61 H new ATOM 0 HB1 ALA A 62 15.536 9.729 8.239 1.00 34.74 H new ATOM 0 HB2 ALA A 62 16.113 10.314 6.884 1.00 34.74 H new ATOM 0 HB3 ALA A 62 16.929 9.217 7.685 1.00 34.74 H new ATOM 449 N ASP A 63 18.349 9.715 10.094 1.00 42.84 N ATOM 450 CA ASP A 63 18.809 9.220 11.419 1.00 45.76 C ATOM 451 C ASP A 63 19.361 10.302 12.355 1.00 46.96 C ATOM 452 O ASP A 63 19.145 10.248 13.563 1.00 49.70 O ATOM 453 CB ASP A 63 19.852 8.088 11.252 1.00 46.33 C ATOM 454 CG ASP A 63 19.280 6.828 10.621 1.00 49.35 C ATOM 455 OD1 ASP A 63 18.049 6.687 10.497 1.00 54.37 O ATOM 456 OD2 ASP A 63 20.079 5.960 10.209 1.00 56.12 O ATOM 0 H ASP A 63 18.759 9.362 9.425 1.00 42.84 H new ATOM 0 HA ASP A 63 18.008 8.880 11.848 1.00 45.76 H new ATOM 0 HB2 ASP A 63 20.585 8.411 10.705 1.00 46.33 H new ATOM 0 HB3 ASP A 63 20.222 7.867 12.121 1.00 46.33 H new ATOM 457 N TYR A 64 20.051 11.291 11.802 1.00 47.61 N ATOM 458 CA TYR A 64 20.594 12.406 12.578 1.00 46.88 C ATOM 459 C TYR A 64 19.605 13.542 12.852 1.00 41.40 C ATOM 460 O TYR A 64 19.890 14.346 13.717 1.00 41.31 O ATOM 461 CB TYR A 64 21.830 12.984 11.858 1.00 49.27 C ATOM 462 CG TYR A 64 22.472 14.237 12.472 1.00 54.68 C ATOM 463 CD1 TYR A 64 23.297 14.148 13.612 1.00 56.99 C ATOM 464 CD2 TYR A 64 22.261 15.512 11.901 1.00 58.66 C ATOM 465 CE1 TYR A 64 23.895 15.289 14.170 1.00 51.58 C ATOM 466 CE2 TYR A 64 22.871 16.662 12.448 1.00 58.80 C ATOM 467 CZ TYR A 64 23.681 16.539 13.585 1.00 55.78 C ATOM 468 OH TYR A 64 24.263 17.667 14.119 1.00 59.68 O ATOM 0 H TYR A 64 20.220 11.337 10.960 1.00 47.61 H new ATOM 0 HA TYR A 64 20.822 12.031 13.443 1.00 46.88 H new ATOM 0 HB2 TYR A 64 22.506 12.289 11.815 1.00 49.27 H new ATOM 0 HB3 TYR A 64 21.577 13.191 10.945 1.00 49.27 H new ATOM 0 HD1 TYR A 64 23.448 13.317 14.002 1.00 56.99 H new ATOM 0 HD2 TYR A 64 21.713 15.595 11.154 1.00 58.66 H new ATOM 0 HE1 TYR A 64 24.431 15.213 14.926 1.00 51.58 H new ATOM 0 HE2 TYR A 64 22.736 17.495 12.057 1.00 58.80 H new ATOM 0 HH TYR A 64 24.758 18.026 13.543 1.00 59.68 H new ATOM 469 N TRP A 65 18.455 13.586 12.172 1.00 39.81 N ATOM 470 CA TRP A 65 17.547 14.753 12.228 1.00 38.37 C ATOM 471 C TRP A 65 17.263 15.257 13.652 1.00 39.50 C ATOM 472 O TRP A 65 17.509 16.430 13.972 1.00 40.33 O ATOM 473 CB TRP A 65 16.228 14.508 11.461 1.00 38.31 C ATOM 474 CG TRP A 65 15.617 15.814 11.028 1.00 37.08 C ATOM 475 CD1 TRP A 65 14.609 16.494 11.632 1.00 37.24 C ATOM 476 CD2 TRP A 65 16.071 16.650 9.947 1.00 37.45 C ATOM 477 NE1 TRP A 65 14.358 17.669 10.973 1.00 39.84 N ATOM 478 CE2 TRP A 65 15.239 17.801 9.933 1.00 37.99 C ATOM 479 CE3 TRP A 65 17.076 16.525 8.978 1.00 39.44 C ATOM 480 CZ2 TRP A 65 15.398 18.834 9.002 1.00 39.73 C ATOM 481 CZ3 TRP A 65 17.234 17.553 8.040 1.00 39.46 C ATOM 482 CH2 TRP A 65 16.388 18.689 8.057 1.00 37.83 C ATOM 0 H TRP A 65 18.176 12.948 11.667 1.00 39.81 H new ATOM 0 HA TRP A 65 18.033 15.462 11.779 1.00 38.37 H new ATOM 0 HB2 TRP A 65 16.398 13.951 10.685 1.00 38.31 H new ATOM 0 HB3 TRP A 65 15.605 14.025 12.026 1.00 38.31 H new ATOM 0 HD1 TRP A 65 14.152 16.203 12.388 1.00 37.24 H new ATOM 0 HE1 TRP A 65 13.744 18.234 11.180 1.00 39.84 H new ATOM 0 HE3 TRP A 65 17.626 15.775 8.958 1.00 39.44 H new ATOM 0 HZ2 TRP A 65 14.856 19.589 9.021 1.00 39.73 H new ATOM 0 HZ3 TRP A 65 17.903 17.489 7.397 1.00 39.46 H new ATOM 0 HH2 TRP A 65 16.504 19.352 7.415 1.00 37.83 H new ATOM 483 N PHE A 66 16.815 14.339 14.501 1.00 39.76 N ATOM 484 CA PHE A 66 16.464 14.637 15.902 1.00 39.38 C ATOM 485 C PHE A 66 17.580 14.307 16.894 1.00 39.46 C ATOM 486 O PHE A 66 17.409 14.562 18.091 1.00 36.12 O ATOM 487 CB PHE A 66 15.192 13.873 16.293 1.00 39.80 C ATOM 488 CG PHE A 66 13.994 14.251 15.473 1.00 39.38 C ATOM 489 CD1 PHE A 66 13.342 15.452 15.716 1.00 40.56 C ATOM 490 CD2 PHE A 66 13.533 13.423 14.451 1.00 42.04 C ATOM 491 CE1 PHE A 66 12.214 15.839 14.958 1.00 41.38 C ATOM 492 CE2 PHE A 66 12.418 13.805 13.661 1.00 41.38 C ATOM 493 CZ PHE A 66 11.769 15.019 13.933 1.00 39.00 C ATOM 0 H PHE A 66 16.702 13.514 14.285 1.00 39.76 H new ATOM 0 HA PHE A 66 16.319 15.595 15.951 1.00 39.38 H new ATOM 0 HB2 PHE A 66 15.353 12.921 16.199 1.00 39.80 H new ATOM 0 HB3 PHE A 66 14.999 14.037 17.229 1.00 39.80 H new ATOM 0 HD1 PHE A 66 13.653 16.012 16.390 1.00 40.56 H new ATOM 0 HD2 PHE A 66 13.960 12.613 14.285 1.00 42.04 H new ATOM 0 HE1 PHE A 66 11.774 16.637 15.145 1.00 41.38 H new ATOM 0 HE2 PHE A 66 12.121 13.257 12.971 1.00 41.38 H new ATOM 0 HZ PHE A 66 11.035 15.275 13.422 1.00 39.00 H new ATOM 494 N HIS A 67 18.728 13.800 16.417 1.00 38.54 N ATOM 495 CA HIS A 67 19.823 13.398 17.294 1.00 40.62 C ATOM 496 C HIS A 67 20.348 14.497 18.238 1.00 39.94 C ATOM 497 O HIS A 67 20.620 14.204 19.420 1.00 39.41 O ATOM 498 CB HIS A 67 20.974 12.732 16.523 1.00 41.17 C ATOM 499 CG HIS A 67 22.032 12.178 17.424 1.00 44.14 C ATOM 500 ND1 HIS A 67 21.830 11.061 18.210 1.00 47.72 N ATOM 501 CD2 HIS A 67 23.270 12.627 17.716 1.00 42.20 C ATOM 502 CE1 HIS A 67 22.908 10.837 18.937 1.00 52.36 C ATOM 503 NE2 HIS A 67 23.802 11.766 18.648 1.00 49.69 N ATOM 0 H HIS A 67 18.886 13.683 15.580 1.00 38.54 H new ATOM 0 HA HIS A 67 19.419 12.737 17.877 1.00 40.62 H new ATOM 0 HB2 HIS A 67 20.618 12.018 15.972 1.00 41.17 H new ATOM 0 HB3 HIS A 67 21.374 13.381 15.923 1.00 41.17 H new ATOM 0 HD2 HIS A 67 23.685 13.377 17.355 1.00 42.20 H new ATOM 0 HE1 HIS A 67 23.019 10.144 19.548 1.00 52.36 H new ATOM 0 HE2 HIS A 67 24.590 11.823 18.988 1.00 49.69 H new ATOM 504 N PRO A 68 20.521 15.745 17.737 1.00 38.90 N ATOM 505 CA PRO A 68 20.898 16.859 18.652 1.00 39.95 C ATOM 506 C PRO A 68 19.969 17.027 19.868 1.00 40.15 C ATOM 507 O PRO A 68 20.427 17.317 20.982 1.00 40.48 O ATOM 508 CB PRO A 68 20.792 18.082 17.742 1.00 39.15 C ATOM 509 CG PRO A 68 21.158 17.546 16.394 1.00 45.15 C ATOM 510 CD PRO A 68 20.463 16.224 16.340 1.00 39.75 C ATOM 0 HA PRO A 68 21.770 16.706 19.047 1.00 39.95 H new ATOM 0 HB2 PRO A 68 19.896 18.455 17.747 1.00 39.15 H new ATOM 0 HB3 PRO A 68 21.395 18.789 18.021 1.00 39.15 H new ATOM 0 HG2 PRO A 68 20.860 18.135 15.683 1.00 45.15 H new ATOM 0 HG3 PRO A 68 22.118 17.448 16.298 1.00 45.15 H new ATOM 0 HD2 PRO A 68 19.548 16.314 16.031 1.00 39.75 H new ATOM 0 HD3 PRO A 68 20.908 15.611 15.734 1.00 39.75 H new HETATM 511 N MSE A 69 18.667 16.823 19.650 1.00 37.46 N HETATM 512 CA MSE A 69 17.671 16.908 20.729 1.00 39.92 C HETATM 513 C MSE A 69 17.786 15.727 21.685 1.00 39.44 C HETATM 514 O MSE A 69 17.656 15.907 22.897 1.00 35.78 O HETATM 515 CB MSE A 69 16.254 16.969 20.182 1.00 38.96 C HETATM 516 CG MSE A 69 15.932 18.158 19.280 1.00 44.67 C HETATM 517 SE MSE A 69 16.216 19.894 20.093 0.75 40.52 SE HETATM 518 CE MSE A 69 18.030 20.199 19.679 1.00 41.22 C HETATM 0 H MSE A 69 18.336 16.633 18.879 1.00 37.46 H new HETATM 0 HA MSE A 69 17.857 17.729 21.211 1.00 39.92 H new HETATM 0 HB2 MSE A 69 16.083 16.154 19.685 1.00 38.96 H new HETATM 0 HB3 MSE A 69 15.638 16.979 20.931 1.00 38.96 H new HETATM 0 HG2 MSE A 69 16.476 18.097 18.479 1.00 44.67 H new HETATM 0 HG3 MSE A 69 15.006 18.094 19.000 1.00 44.67 H new HETATM 0 HE1 MSE A 69 18.304 21.057 20.039 1.00 41.22 H new HETATM 0 HE2 MSE A 69 18.574 19.497 20.069 1.00 41.22 H new HETATM 0 HE3 MSE A 69 18.147 20.200 18.716 1.00 41.22 H new ATOM 519 N VAL A 70 18.042 14.536 21.134 1.00 39.65 N ATOM 520 CA VAL A 70 18.261 13.338 21.939 1.00 39.29 C ATOM 521 C VAL A 70 19.476 13.523 22.830 1.00 38.59 C ATOM 522 O VAL A 70 19.394 13.228 24.028 1.00 38.47 O ATOM 523 CB VAL A 70 18.408 12.061 21.054 1.00 39.50 C ATOM 524 CG1 VAL A 70 18.774 10.821 21.899 1.00 36.80 C ATOM 525 CG2 VAL A 70 17.093 11.834 20.288 1.00 36.07 C ATOM 0 H VAL A 70 18.093 14.404 20.286 1.00 39.65 H new ATOM 0 HA VAL A 70 17.479 13.207 22.497 1.00 39.29 H new ATOM 0 HB VAL A 70 19.134 12.196 20.425 1.00 39.50 H new ATOM 0 HG11 VAL A 70 18.857 10.047 21.320 1.00 36.80 H new ATOM 0 HG12 VAL A 70 19.617 10.976 22.354 1.00 36.80 H new ATOM 0 HG13 VAL A 70 18.078 10.659 22.555 1.00 36.80 H new ATOM 0 HG21 VAL A 70 17.174 11.042 19.734 1.00 36.07 H new ATOM 0 HG22 VAL A 70 16.367 11.714 20.920 1.00 36.07 H new ATOM 0 HG23 VAL A 70 16.908 12.603 19.726 1.00 36.07 H new ATOM 526 N GLU A 71 20.586 14.021 22.272 1.00 38.74 N ATOM 527 CA GLU A 71 21.787 14.296 23.074 1.00 42.06 C ATOM 528 C GLU A 71 21.542 15.231 24.248 1.00 40.29 C ATOM 529 O GLU A 71 22.084 15.013 25.338 1.00 39.82 O ATOM 530 CB GLU A 71 22.921 14.888 22.225 1.00 42.31 C ATOM 531 CG GLU A 71 23.589 13.894 21.313 1.00 55.18 C ATOM 532 CD GLU A 71 24.895 14.429 20.718 1.00 54.96 C ATOM 533 OE1 GLU A 71 25.084 15.671 20.687 1.00 66.44 O ATOM 534 OE2 GLU A 71 25.722 13.587 20.284 1.00 76.12 O ATOM 0 H GLU A 71 20.664 14.206 21.436 1.00 38.74 H new ATOM 0 HA GLU A 71 22.043 13.428 23.423 1.00 42.06 H new ATOM 0 HB2 GLU A 71 22.566 15.615 21.690 1.00 42.31 H new ATOM 0 HB3 GLU A 71 23.589 15.270 22.816 1.00 42.31 H new ATOM 0 HG2 GLU A 71 23.772 13.079 21.806 1.00 55.18 H new ATOM 0 HG3 GLU A 71 22.981 13.660 20.594 1.00 55.18 H new ATOM 535 N ILE A 72 20.786 16.302 24.000 1.00 39.79 N ATOM 536 CA ILE A 72 20.407 17.267 25.038 1.00 38.63 C ATOM 537 C ILE A 72 19.638 16.554 26.162 1.00 38.11 C ATOM 538 O ILE A 72 19.959 16.731 27.323 1.00 40.13 O ATOM 539 CB ILE A 72 19.570 18.459 24.456 1.00 37.30 C ATOM 540 CG1 ILE A 72 20.482 19.376 23.632 1.00 38.56 C ATOM 541 CG2 ILE A 72 18.910 19.278 25.573 1.00 35.56 C ATOM 542 CD1 ILE A 72 19.742 20.488 22.859 1.00 38.73 C ATOM 0 H ILE A 72 20.476 16.491 23.220 1.00 39.79 H new ATOM 0 HA ILE A 72 21.222 17.647 25.403 1.00 38.63 H new ATOM 0 HB ILE A 72 18.872 18.087 23.894 1.00 37.30 H new ATOM 0 HG12 ILE A 72 21.130 19.787 24.226 1.00 38.56 H new ATOM 0 HG13 ILE A 72 20.980 18.835 23.000 1.00 38.56 H new ATOM 0 HG21 ILE A 72 18.401 20.006 25.183 1.00 35.56 H new ATOM 0 HG22 ILE A 72 18.317 18.707 26.086 1.00 35.56 H new ATOM 0 HG23 ILE A 72 19.595 19.640 26.157 1.00 35.56 H new ATOM 0 HD11 ILE A 72 20.384 21.022 22.366 1.00 38.73 H new ATOM 0 HD12 ILE A 72 19.112 20.088 22.240 1.00 38.73 H new ATOM 0 HD13 ILE A 72 19.264 21.055 23.485 1.00 38.73 H new HETATM 543 N MSE A 73 18.622 15.770 25.807 1.00 37.84 N HETATM 544 CA MSE A 73 17.873 14.990 26.805 1.00 39.36 C HETATM 545 C MSE A 73 18.773 14.027 27.608 1.00 39.54 C HETATM 546 O MSE A 73 18.692 13.954 28.846 1.00 38.93 O HETATM 547 CB MSE A 73 16.706 14.217 26.165 1.00 39.89 C HETATM 548 CG MSE A 73 15.652 15.106 25.605 1.00 38.59 C HETATM 549 SE MSE A 73 14.131 14.096 24.996 0.75 36.06 SE HETATM 550 CE MSE A 73 14.875 12.872 23.726 1.00 37.65 C HETATM 0 H MSE A 73 18.348 15.673 24.998 1.00 37.84 H new HETATM 0 HA MSE A 73 17.510 15.638 27.429 1.00 39.36 H new HETATM 0 HB2 MSE A 73 17.051 13.649 25.458 1.00 39.89 H new HETATM 0 HB3 MSE A 73 16.309 13.633 26.830 1.00 39.89 H new HETATM 0 HG2 MSE A 73 15.370 15.742 26.281 1.00 38.59 H new HETATM 0 HG3 MSE A 73 16.018 15.619 24.868 1.00 38.59 H new HETATM 0 HE1 MSE A 73 14.170 12.314 23.362 1.00 37.65 H new HETATM 0 HE2 MSE A 73 15.298 13.368 23.007 1.00 37.65 H new HETATM 0 HE3 MSE A 73 15.535 12.313 24.164 1.00 37.65 H new ATOM 551 N GLU A 74 19.664 13.334 26.908 1.00 39.10 N ATOM 552 CA GLU A 74 20.592 12.390 27.558 1.00 40.72 C ATOM 553 C GLU A 74 21.519 13.085 28.539 1.00 39.52 C ATOM 554 O GLU A 74 21.699 12.595 29.656 1.00 39.97 O ATOM 555 CB GLU A 74 21.299 11.530 26.517 1.00 39.59 C ATOM 556 CG GLU A 74 20.256 10.557 25.904 1.00 47.38 C ATOM 557 CD GLU A 74 20.703 9.690 24.762 1.00 53.43 C ATOM 558 OE1 GLU A 74 21.827 9.876 24.251 1.00 46.58 O ATOM 559 OE2 GLU A 74 19.869 8.810 24.371 1.00 47.65 O ATOM 0 H GLU A 74 19.754 13.390 26.055 1.00 39.10 H new ATOM 0 HA GLU A 74 20.080 11.776 28.107 1.00 40.72 H new ATOM 0 HB2 GLU A 74 21.689 12.088 25.826 1.00 39.59 H new ATOM 0 HB3 GLU A 74 22.026 11.034 26.925 1.00 39.59 H new ATOM 0 HG2 GLU A 74 19.935 9.977 26.612 1.00 47.38 H new ATOM 0 HG3 GLU A 74 19.498 11.082 25.602 1.00 47.38 H new ATOM 560 N ASP A 75 22.021 14.261 28.152 1.00 41.19 N ATOM 561 CA ASP A 75 22.884 15.083 29.026 1.00 40.51 C ATOM 562 C ASP A 75 22.153 15.526 30.284 1.00 41.06 C ATOM 563 O ASP A 75 22.724 15.483 31.377 1.00 39.70 O ATOM 564 CB ASP A 75 23.381 16.341 28.308 1.00 44.12 C ATOM 565 CG ASP A 75 24.370 16.060 27.190 1.00 48.06 C ATOM 566 OD1 ASP A 75 24.941 14.952 27.124 1.00 54.25 O ATOM 567 OD2 ASP A 75 24.569 16.995 26.370 1.00 62.33 O ATOM 0 H ASP A 75 21.874 14.608 27.379 1.00 41.19 H new ATOM 0 HA ASP A 75 23.636 14.518 29.263 1.00 40.51 H new ATOM 0 HB2 ASP A 75 22.619 16.816 27.942 1.00 44.12 H new ATOM 0 HB3 ASP A 75 23.798 16.930 28.957 1.00 44.12 H new ATOM 568 N VAL A 76 20.895 15.954 30.131 1.00 37.36 N ATOM 569 CA VAL A 76 20.090 16.382 31.279 1.00 39.07 C ATOM 570 C VAL A 76 19.869 15.212 32.257 1.00 40.71 C ATOM 571 O VAL A 76 20.121 15.353 33.457 1.00 40.70 O ATOM 572 CB VAL A 76 18.750 17.003 30.859 1.00 37.19 C ATOM 573 CG1 VAL A 76 17.818 17.221 32.084 1.00 37.39 C ATOM 574 CG2 VAL A 76 18.987 18.335 30.120 1.00 36.59 C ATOM 0 H VAL A 76 20.491 16.004 29.373 1.00 37.36 H new ATOM 0 HA VAL A 76 20.592 17.077 31.732 1.00 39.07 H new ATOM 0 HB VAL A 76 18.309 16.383 30.257 1.00 37.19 H new ATOM 0 HG11 VAL A 76 16.982 17.613 31.789 1.00 37.39 H new ATOM 0 HG12 VAL A 76 17.642 16.369 32.512 1.00 37.39 H new ATOM 0 HG13 VAL A 76 18.249 17.817 32.716 1.00 37.39 H new ATOM 0 HG21 VAL A 76 18.134 18.717 29.860 1.00 36.59 H new ATOM 0 HG22 VAL A 76 19.452 18.952 30.706 1.00 36.59 H new ATOM 0 HG23 VAL A 76 19.524 18.175 29.328 1.00 36.59 H new ATOM 575 N LEU A 77 19.438 14.067 31.732 1.00 39.20 N ATOM 576 CA LEU A 77 19.191 12.878 32.578 1.00 40.36 C ATOM 577 C LEU A 77 20.458 12.341 33.263 1.00 40.91 C ATOM 578 O LEU A 77 20.393 11.864 34.398 1.00 41.25 O ATOM 579 CB LEU A 77 18.435 11.776 31.807 1.00 41.07 C ATOM 580 CG LEU A 77 16.901 11.922 31.871 1.00 43.95 C ATOM 581 CD1 LEU A 77 16.344 13.105 31.049 1.00 37.44 C ATOM 582 CD2 LEU A 77 16.292 10.612 31.470 1.00 46.41 C ATOM 0 H LEU A 77 19.281 13.949 30.895 1.00 39.20 H new ATOM 0 HA LEU A 77 18.614 13.178 33.298 1.00 40.36 H new ATOM 0 HB2 LEU A 77 18.716 11.790 30.879 1.00 41.07 H new ATOM 0 HB3 LEU A 77 18.686 10.910 32.166 1.00 41.07 H new ATOM 0 HG LEU A 77 16.654 12.142 32.783 1.00 43.95 H new ATOM 0 HD11 LEU A 77 15.378 13.134 31.136 1.00 37.44 H new ATOM 0 HD12 LEU A 77 16.723 13.935 31.378 1.00 37.44 H new ATOM 0 HD13 LEU A 77 16.580 12.990 30.115 1.00 37.44 H new ATOM 0 HD21 LEU A 77 15.325 10.681 31.503 1.00 46.41 H new ATOM 0 HD22 LEU A 77 16.569 10.389 30.568 1.00 46.41 H new ATOM 0 HD23 LEU A 77 16.587 9.918 32.079 1.00 46.41 H new ATOM 583 N ALA A 78 21.601 12.484 32.601 1.00 39.52 N ATOM 584 CA ALA A 78 22.874 12.043 33.142 1.00 40.34 C ATOM 585 C ALA A 78 23.437 12.996 34.186 1.00 42.29 C ATOM 586 O ALA A 78 24.397 12.626 34.870 1.00 40.52 O ATOM 587 CB ALA A 78 23.883 11.847 32.030 1.00 39.52 C ATOM 0 H ALA A 78 21.657 12.842 31.821 1.00 39.52 H new ATOM 0 HA ALA A 78 22.706 11.197 33.586 1.00 40.34 H new ATOM 0 HB1 ALA A 78 24.727 11.553 32.407 1.00 39.52 H new ATOM 0 HB2 ALA A 78 23.555 11.177 31.410 1.00 39.52 H new ATOM 0 HB3 ALA A 78 24.014 12.685 31.560 1.00 39.52 H new ATOM 588 N SER A 79 22.895 14.211 34.298 1.00 40.19 N ATOM 589 CA SER A 79 23.370 15.181 35.280 1.00 42.78 C ATOM 590 C SER A 79 22.949 14.798 36.703 1.00 44.60 C ATOM 591 O SER A 79 22.100 13.903 36.909 1.00 45.43 O ATOM 592 CB SER A 79 22.843 16.571 34.949 1.00 41.76 C ATOM 593 OG SER A 79 21.465 16.672 35.244 1.00 43.67 O ATOM 0 H SER A 79 22.246 14.492 33.809 1.00 40.19 H new ATOM 0 HA SER A 79 24.339 15.183 35.241 1.00 42.78 H new ATOM 0 HB2 SER A 79 23.335 17.236 35.455 1.00 41.76 H new ATOM 0 HB3 SER A 79 22.991 16.762 34.010 1.00 41.76 H new ATOM 0 HG SER A 79 21.030 16.172 34.728 1.00 43.67 H new ATOM 594 N ASP A 80 23.544 15.505 37.662 1.00 44.10 N ATOM 595 CA ASP A 80 23.271 15.340 39.098 1.00 45.28 C ATOM 596 C ASP A 80 22.160 16.262 39.609 1.00 44.27 C ATOM 597 O ASP A 80 21.937 16.334 40.822 1.00 47.37 O ATOM 598 CB ASP A 80 24.555 15.606 39.921 1.00 44.89 C ATOM 0 H ASP A 80 24.133 16.110 37.496 1.00 44.10 H new ATOM 0 HA ASP A 80 22.972 14.424 39.213 1.00 45.28 H new ATOM 599 N LEU A 81 21.463 16.951 38.709 1.00 41.34 N ATOM 600 CA LEU A 81 20.419 17.886 39.082 1.00 40.61 C ATOM 601 C LEU A 81 19.231 17.178 39.739 1.00 40.89 C ATOM 602 O LEU A 81 18.921 16.044 39.372 1.00 38.98 O ATOM 603 CB LEU A 81 19.903 18.634 37.841 1.00 40.35 C ATOM 604 CG LEU A 81 20.849 19.617 37.154 1.00 39.52 C ATOM 605 CD1 LEU A 81 20.198 20.104 35.860 1.00 47.26 C ATOM 606 CD2 LEU A 81 21.183 20.789 38.116 1.00 37.90 C ATOM 0 H LEU A 81 21.587 16.885 37.861 1.00 41.34 H new ATOM 0 HA LEU A 81 20.810 18.507 39.717 1.00 40.61 H new ATOM 0 HB2 LEU A 81 19.634 17.972 37.185 1.00 40.35 H new ATOM 0 HB3 LEU A 81 19.104 19.120 38.098 1.00 40.35 H new ATOM 0 HG LEU A 81 21.687 19.183 36.929 1.00 39.52 H new ATOM 0 HD11 LEU A 81 20.791 20.730 35.415 1.00 47.26 H new ATOM 0 HD12 LEU A 81 20.031 19.347 35.277 1.00 47.26 H new ATOM 0 HD13 LEU A 81 19.359 20.545 36.066 1.00 47.26 H new ATOM 0 HD21 LEU A 81 21.784 21.409 37.674 1.00 37.90 H new ATOM 0 HD22 LEU A 81 20.365 21.250 38.361 1.00 37.90 H new ATOM 0 HD23 LEU A 81 21.609 20.441 38.915 1.00 37.90 H new ATOM 607 N PRO A 82 18.577 17.838 40.711 1.00 38.95 N ATOM 608 CA PRO A 82 17.377 17.240 41.297 1.00 38.80 C ATOM 609 C PRO A 82 16.226 17.214 40.271 1.00 39.68 C ATOM 610 O PRO A 82 16.301 17.945 39.265 1.00 40.12 O ATOM 611 CB PRO A 82 17.067 18.150 42.475 1.00 40.72 C ATOM 612 CG PRO A 82 17.724 19.438 42.149 1.00 43.14 C ATOM 613 CD PRO A 82 18.912 19.133 41.333 1.00 39.79 C ATOM 0 HA PRO A 82 17.498 16.317 41.568 1.00 38.80 H new ATOM 0 HB2 PRO A 82 16.110 18.263 42.589 1.00 40.72 H new ATOM 0 HB3 PRO A 82 17.410 17.781 43.304 1.00 40.72 H new ATOM 0 HG2 PRO A 82 17.116 20.018 41.664 1.00 43.14 H new ATOM 0 HG3 PRO A 82 17.978 19.907 42.959 1.00 43.14 H new ATOM 0 HD2 PRO A 82 19.073 19.819 40.666 1.00 39.79 H new ATOM 0 HD3 PRO A 82 19.713 19.072 41.877 1.00 39.79 H new ATOM 614 N PRO A 83 15.209 16.350 40.476 1.00 39.79 N ATOM 615 CA PRO A 83 14.112 16.218 39.502 1.00 40.21 C ATOM 616 C PRO A 83 13.458 17.491 38.968 1.00 40.75 C ATOM 617 O PRO A 83 13.177 17.558 37.764 1.00 39.45 O ATOM 618 CB PRO A 83 13.087 15.370 40.256 1.00 40.97 C ATOM 619 CG PRO A 83 13.927 14.488 41.093 1.00 42.64 C ATOM 620 CD PRO A 83 15.058 15.364 41.562 1.00 41.21 C ATOM 0 HA PRO A 83 14.472 15.843 38.683 1.00 40.21 H new ATOM 0 HB2 PRO A 83 12.496 15.918 40.795 1.00 40.97 H new ATOM 0 HB3 PRO A 83 12.527 14.861 39.649 1.00 40.97 H new ATOM 0 HG2 PRO A 83 13.425 14.131 41.842 1.00 42.64 H new ATOM 0 HG3 PRO A 83 14.256 13.730 40.585 1.00 42.64 H new ATOM 0 HD2 PRO A 83 14.850 15.793 42.407 1.00 41.21 H new ATOM 0 HD3 PRO A 83 15.872 14.854 41.696 1.00 41.21 H new ATOM 621 N ARG A 84 13.248 18.488 39.827 1.00 37.74 N ATOM 622 CA ARG A 84 12.610 19.744 39.382 1.00 36.12 C ATOM 623 C ARG A 84 13.502 20.502 38.400 1.00 36.64 C ATOM 624 O ARG A 84 13.038 21.031 37.404 1.00 38.53 O ATOM 625 CB ARG A 84 12.258 20.635 40.569 1.00 35.23 C ATOM 626 CG ARG A 84 11.327 21.795 40.191 1.00 38.97 C ATOM 627 CD ARG A 84 11.254 22.760 41.297 1.00 45.41 C ATOM 628 NE ARG A 84 10.554 22.192 42.438 1.00 40.01 N ATOM 629 CZ ARG A 84 9.409 22.619 42.975 1.00 41.59 C ATOM 630 NH1 ARG A 84 8.780 23.710 42.563 1.00 42.63 N ATOM 631 NH2 ARG A 84 8.928 21.955 44.016 1.00 40.31 N ATOM 0 H ARG A 84 13.461 18.466 40.660 1.00 37.74 H new ATOM 0 HA ARG A 84 11.789 19.503 38.925 1.00 36.12 H new ATOM 0 HB2 ARG A 84 11.834 20.097 41.256 1.00 35.23 H new ATOM 0 HB3 ARG A 84 13.074 20.993 40.952 1.00 35.23 H new ATOM 0 HG2 ARG A 84 11.653 22.234 39.390 1.00 38.97 H new ATOM 0 HG3 ARG A 84 10.441 21.456 39.988 1.00 38.97 H new ATOM 0 HD2 ARG A 84 12.150 23.023 41.561 1.00 45.41 H new ATOM 0 HD3 ARG A 84 10.798 23.563 41.000 1.00 45.41 H new ATOM 0 HE ARG A 84 10.918 21.506 42.807 1.00 40.01 H new ATOM 0 HH11 ARG A 84 9.108 24.179 41.921 1.00 42.63 H new ATOM 0 HH12 ARG A 84 8.044 23.949 42.938 1.00 42.63 H new ATOM 0 HH21 ARG A 84 9.352 21.273 44.324 1.00 40.31 H new ATOM 0 HH22 ARG A 84 8.192 22.206 44.384 1.00 40.31 H new ATOM 632 N ARG A 85 14.786 20.549 38.708 1.00 38.77 N ATOM 633 CA ARG A 85 15.776 21.172 37.833 1.00 39.72 C ATOM 634 C ARG A 85 15.869 20.392 36.519 1.00 38.39 C ATOM 635 O ARG A 85 15.834 21.000 35.443 1.00 37.05 O ATOM 636 CB ARG A 85 17.123 21.232 38.532 1.00 40.49 C ATOM 637 CG ARG A 85 17.171 22.234 39.688 1.00 41.86 C ATOM 638 CD ARG A 85 17.322 23.680 39.252 1.00 41.58 C ATOM 639 NE ARG A 85 18.549 23.898 38.481 1.00 36.02 N ATOM 640 CZ ARG A 85 18.643 24.015 37.151 1.00 42.05 C ATOM 641 NH1 ARG A 85 17.576 24.059 36.364 1.00 41.69 N ATOM 642 NH2 ARG A 85 19.843 24.140 36.591 1.00 39.24 N ATOM 0 H ARG A 85 15.114 20.221 39.432 1.00 38.77 H new ATOM 0 HA ARG A 85 15.503 22.080 37.629 1.00 39.72 H new ATOM 0 HB2 ARG A 85 17.343 20.350 38.870 1.00 40.49 H new ATOM 0 HB3 ARG A 85 17.805 21.466 37.883 1.00 40.49 H new ATOM 0 HG2 ARG A 85 16.359 22.148 40.211 1.00 41.86 H new ATOM 0 HG3 ARG A 85 17.911 22.004 40.272 1.00 41.86 H new ATOM 0 HD2 ARG A 85 16.555 23.937 38.717 1.00 41.58 H new ATOM 0 HD3 ARG A 85 17.327 24.254 40.034 1.00 41.58 H new ATOM 0 HE ARG A 85 19.282 23.957 38.928 1.00 36.02 H new ATOM 0 HH11 ARG A 85 16.788 24.012 36.705 1.00 41.69 H new ATOM 0 HH12 ARG A 85 17.672 24.135 35.513 1.00 41.69 H new ATOM 0 HH21 ARG A 85 20.549 24.145 37.083 1.00 39.24 H new ATOM 0 HH22 ARG A 85 19.913 24.216 35.737 1.00 39.24 H new ATOM 643 N LYS A 86 15.959 19.057 36.613 1.00 39.52 N ATOM 644 CA LYS A 86 15.980 18.191 35.418 1.00 39.91 C ATOM 645 C LYS A 86 14.799 18.430 34.491 1.00 39.22 C ATOM 646 O LYS A 86 14.994 18.600 33.284 1.00 38.80 O ATOM 647 CB LYS A 86 16.049 16.692 35.765 1.00 41.67 C ATOM 648 CG LYS A 86 17.402 16.211 36.084 1.00 46.41 C ATOM 649 CD LYS A 86 17.435 14.695 36.229 1.00 45.35 C ATOM 650 CE LYS A 86 18.844 14.234 36.505 1.00 43.99 C ATOM 651 NZ LYS A 86 18.894 12.862 37.030 1.00 44.12 N ATOM 0 H LYS A 86 16.009 18.632 37.359 1.00 39.52 H new ATOM 0 HA LYS A 86 16.794 18.441 34.954 1.00 39.91 H new ATOM 0 HB2 LYS A 86 15.468 16.518 36.522 1.00 41.67 H new ATOM 0 HB3 LYS A 86 15.702 16.181 35.017 1.00 41.67 H new ATOM 0 HG2 LYS A 86 18.017 16.484 35.385 1.00 46.41 H new ATOM 0 HG3 LYS A 86 17.707 16.623 36.907 1.00 46.41 H new ATOM 0 HD2 LYS A 86 16.849 14.419 36.951 1.00 45.35 H new ATOM 0 HD3 LYS A 86 17.103 14.278 35.419 1.00 45.35 H new ATOM 0 HE2 LYS A 86 19.363 14.283 35.687 1.00 43.99 H new ATOM 0 HE3 LYS A 86 19.259 14.836 37.142 1.00 43.99 H new ATOM 0 HZ1 LYS A 86 19.736 12.574 37.028 1.00 44.12 H new ATOM 0 HZ2 LYS A 86 18.579 12.851 37.862 1.00 44.12 H new ATOM 0 HZ3 LYS A 86 18.398 12.330 36.518 1.00 44.12 H new HETATM 652 N MSE A 87 13.584 18.454 35.053 1.00 37.43 N HETATM 653 CA MSE A 87 12.395 18.685 34.244 1.00 37.50 C HETATM 654 C MSE A 87 12.495 20.034 33.517 1.00 40.68 C HETATM 655 O MSE A 87 12.193 20.122 32.333 1.00 38.24 O HETATM 656 CB MSE A 87 11.095 18.633 35.042 1.00 39.07 C HETATM 657 CG MSE A 87 9.886 18.786 34.156 1.00 38.37 C HETATM 658 SE MSE A 87 8.154 18.681 35.009 0.75 37.86 SE HETATM 659 CE MSE A 87 8.247 16.779 35.457 1.00 37.40 C HETATM 0 H MSE A 87 13.434 18.339 35.892 1.00 37.43 H new HETATM 0 HA MSE A 87 12.364 17.958 33.603 1.00 37.50 H new HETATM 0 HB2 MSE A 87 11.042 17.790 35.518 1.00 39.07 H new HETATM 0 HB3 MSE A 87 11.097 19.337 35.710 1.00 39.07 H new HETATM 0 HG2 MSE A 87 9.949 19.643 33.706 1.00 38.37 H new HETATM 0 HG3 MSE A 87 9.926 18.101 33.470 1.00 38.37 H new HETATM 0 HE1 MSE A 87 7.433 16.514 35.914 1.00 37.40 H new HETATM 0 HE2 MSE A 87 8.345 16.259 34.644 1.00 37.40 H new HETATM 0 HE3 MSE A 87 9.009 16.620 36.036 1.00 37.40 H new ATOM 660 N TYR A 88 12.936 21.068 34.227 1.00 40.51 N ATOM 661 CA TYR A 88 13.056 22.383 33.612 1.00 38.01 C ATOM 662 C TYR A 88 14.056 22.333 32.441 1.00 38.49 C ATOM 663 O TYR A 88 13.750 22.772 31.339 1.00 38.59 O ATOM 664 CB TYR A 88 13.461 23.449 34.650 1.00 39.81 C ATOM 665 CG TYR A 88 13.798 24.729 33.973 1.00 36.58 C ATOM 666 CD1 TYR A 88 12.797 25.631 33.622 1.00 36.45 C ATOM 667 CD2 TYR A 88 15.109 25.013 33.597 1.00 39.15 C ATOM 668 CE1 TYR A 88 13.106 26.814 32.927 1.00 38.35 C ATOM 669 CE2 TYR A 88 15.430 26.177 32.885 1.00 39.28 C ATOM 670 CZ TYR A 88 14.413 27.071 32.568 1.00 38.84 C ATOM 671 OH TYR A 88 14.719 28.203 31.877 1.00 38.38 O ATOM 0 H TYR A 88 13.168 21.030 35.054 1.00 40.51 H new ATOM 0 HA TYR A 88 12.188 22.638 33.261 1.00 38.01 H new ATOM 0 HB2 TYR A 88 12.735 23.590 35.278 1.00 39.81 H new ATOM 0 HB3 TYR A 88 14.223 23.137 35.163 1.00 39.81 H new ATOM 0 HD1 TYR A 88 11.914 25.449 33.850 1.00 36.45 H new ATOM 0 HD2 TYR A 88 15.786 24.417 33.823 1.00 39.15 H new ATOM 0 HE1 TYR A 88 12.434 27.419 32.711 1.00 38.35 H new ATOM 0 HE2 TYR A 88 16.308 26.348 32.629 1.00 39.28 H new ATOM 0 HH TYR A 88 15.469 28.113 31.510 1.00 38.38 H new ATOM 672 N GLU A 89 15.246 21.808 32.698 1.00 37.50 N ATOM 673 CA GLU A 89 16.306 21.745 31.685 1.00 38.29 C ATOM 674 C GLU A 89 15.928 20.839 30.515 1.00 37.88 C ATOM 675 O GLU A 89 16.286 21.132 29.379 1.00 39.33 O ATOM 676 CB GLU A 89 17.614 21.283 32.307 1.00 39.99 C ATOM 677 CG GLU A 89 18.203 22.248 33.366 1.00 41.28 C ATOM 678 CD GLU A 89 18.564 23.627 32.825 1.00 41.53 C ATOM 679 OE1 GLU A 89 19.010 23.749 31.678 1.00 39.56 O ATOM 680 OE2 GLU A 89 18.422 24.616 33.564 1.00 43.82 O ATOM 0 H GLU A 89 15.467 21.478 33.461 1.00 37.50 H new ATOM 0 HA GLU A 89 16.421 22.642 31.335 1.00 38.29 H new ATOM 0 HB2 GLU A 89 17.474 20.416 32.719 1.00 39.99 H new ATOM 0 HB3 GLU A 89 18.268 21.159 31.601 1.00 39.99 H new ATOM 0 HG2 GLU A 89 17.561 22.352 34.086 1.00 41.28 H new ATOM 0 HG3 GLU A 89 18.997 21.845 33.750 1.00 41.28 H new ATOM 681 N PHE A 90 15.221 19.744 30.826 1.00 37.02 N ATOM 682 CA PHE A 90 14.717 18.764 29.841 1.00 36.63 C ATOM 683 C PHE A 90 13.927 19.468 28.725 1.00 37.86 C ATOM 684 O PHE A 90 14.094 19.146 27.546 1.00 38.61 O ATOM 685 CB PHE A 90 13.888 17.702 30.571 1.00 39.15 C ATOM 686 CG PHE A 90 13.205 16.709 29.679 1.00 36.93 C ATOM 687 CD1 PHE A 90 13.898 15.599 29.217 1.00 42.26 C ATOM 688 CD2 PHE A 90 11.863 16.847 29.366 1.00 41.40 C ATOM 689 CE1 PHE A 90 13.272 14.668 28.417 1.00 38.26 C ATOM 690 CE2 PHE A 90 11.237 15.909 28.588 1.00 38.89 C ATOM 691 CZ PHE A 90 11.931 14.820 28.113 1.00 36.28 C ATOM 0 H PHE A 90 15.014 19.543 31.636 1.00 37.02 H new ATOM 0 HA PHE A 90 15.461 18.318 29.406 1.00 36.63 H new ATOM 0 HB2 PHE A 90 14.468 17.222 31.182 1.00 39.15 H new ATOM 0 HB3 PHE A 90 13.216 18.149 31.109 1.00 39.15 H new ATOM 0 HD1 PHE A 90 14.791 15.483 29.449 1.00 42.26 H new ATOM 0 HD2 PHE A 90 11.385 17.579 29.685 1.00 41.40 H new ATOM 0 HE1 PHE A 90 13.748 13.942 28.084 1.00 38.26 H new ATOM 0 HE2 PHE A 90 10.336 16.009 28.379 1.00 38.89 H new ATOM 0 HZ PHE A 90 11.499 14.186 27.588 1.00 36.28 H new ATOM 692 N PHE A 91 13.084 20.425 29.102 1.00 36.36 N ATOM 693 CA PHE A 91 12.345 21.235 28.145 1.00 37.24 C ATOM 694 C PHE A 91 13.111 22.470 27.691 1.00 36.99 C ATOM 695 O PHE A 91 13.189 22.747 26.487 1.00 37.79 O ATOM 696 CB PHE A 91 10.993 21.676 28.713 1.00 37.39 C ATOM 697 CG PHE A 91 10.010 20.537 28.939 1.00 37.45 C ATOM 698 CD1 PHE A 91 9.589 19.755 27.881 1.00 40.26 C ATOM 699 CD2 PHE A 91 9.473 20.293 30.204 1.00 39.15 C ATOM 700 CE1 PHE A 91 8.677 18.713 28.076 1.00 41.49 C ATOM 701 CE2 PHE A 91 8.595 19.247 30.430 1.00 37.88 C ATOM 702 CZ PHE A 91 8.173 18.453 29.345 1.00 40.86 C ATOM 0 H PHE A 91 12.925 20.622 29.924 1.00 36.36 H new ATOM 0 HA PHE A 91 12.210 20.662 27.374 1.00 37.24 H new ATOM 0 HB2 PHE A 91 11.141 22.134 29.555 1.00 37.39 H new ATOM 0 HB3 PHE A 91 10.593 22.319 28.107 1.00 37.39 H new ATOM 0 HD1 PHE A 91 9.917 19.924 27.027 1.00 40.26 H new ATOM 0 HD2 PHE A 91 9.711 20.847 30.912 1.00 39.15 H new ATOM 0 HE1 PHE A 91 8.407 18.192 27.354 1.00 41.49 H new ATOM 0 HE2 PHE A 91 8.287 19.070 31.289 1.00 37.88 H new ATOM 0 HZ PHE A 91 7.564 17.763 29.477 1.00 40.86 H new ATOM 703 N ALA A 92 13.657 23.218 28.647 1.00 37.16 N ATOM 704 CA ALA A 92 14.316 24.494 28.367 1.00 37.07 C ATOM 705 C ALA A 92 15.463 24.408 27.360 1.00 34.64 C ATOM 706 O ALA A 92 15.514 25.221 26.444 1.00 37.03 O ATOM 707 CB ALA A 92 14.817 25.189 29.675 1.00 39.49 C ATOM 0 H ALA A 92 13.656 23.000 29.479 1.00 37.16 H new ATOM 0 HA ALA A 92 13.624 25.034 27.955 1.00 37.07 H new ATOM 0 HB1 ALA A 92 15.247 26.029 29.451 1.00 39.49 H new ATOM 0 HB2 ALA A 92 14.063 25.358 30.261 1.00 39.49 H new ATOM 0 HB3 ALA A 92 15.452 24.611 30.126 1.00 39.49 H new ATOM 708 N ARG A 93 16.375 23.446 27.525 1.00 38.18 N ATOM 709 CA ARG A 93 17.552 23.364 26.646 1.00 35.54 C ATOM 710 C ARG A 93 17.190 23.143 25.181 1.00 37.61 C ATOM 711 O ARG A 93 17.848 23.700 24.292 1.00 39.48 O ATOM 712 CB ARG A 93 18.551 22.298 27.108 1.00 34.85 C ATOM 713 CG ARG A 93 19.150 22.610 28.443 1.00 37.30 C ATOM 714 CD ARG A 93 20.213 21.616 28.808 1.00 40.08 C ATOM 715 NE ARG A 93 20.659 21.840 30.173 1.00 41.91 N ATOM 716 CZ ARG A 93 21.549 21.094 30.823 1.00 41.88 C ATOM 717 NH1 ARG A 93 22.189 20.102 30.232 1.00 39.82 N ATOM 718 NH2 ARG A 93 21.843 21.392 32.073 1.00 45.75 N ATOM 0 H ARG A 93 16.334 22.837 28.131 1.00 38.18 H new ATOM 0 HA ARG A 93 17.978 24.233 26.714 1.00 35.54 H new ATOM 0 HB2 ARG A 93 18.104 21.438 27.151 1.00 34.85 H new ATOM 0 HB3 ARG A 93 19.260 22.217 26.450 1.00 34.85 H new ATOM 0 HG2 ARG A 93 19.530 23.503 28.429 1.00 37.30 H new ATOM 0 HG3 ARG A 93 18.456 22.608 29.120 1.00 37.30 H new ATOM 0 HD2 ARG A 93 19.867 20.714 28.717 1.00 40.08 H new ATOM 0 HD3 ARG A 93 20.963 21.695 28.198 1.00 40.08 H new ATOM 0 HE ARG A 93 20.320 22.509 30.595 1.00 41.91 H new ATOM 0 HH11 ARG A 93 22.035 19.923 29.405 1.00 39.82 H new ATOM 0 HH12 ARG A 93 22.760 19.635 30.674 1.00 39.82 H new ATOM 0 HH21 ARG A 93 21.461 22.060 32.457 1.00 45.75 H new ATOM 0 HH22 ARG A 93 22.416 20.918 32.505 1.00 45.75 H new ATOM 719 N ARG A 94 16.145 22.341 24.945 1.00 37.10 N ATOM 720 CA ARG A 94 15.633 22.106 23.592 1.00 36.67 C ATOM 721 C ARG A 94 14.936 23.361 23.068 1.00 37.86 C ATOM 722 O ARG A 94 15.160 23.757 21.921 1.00 37.51 O ATOM 723 CB ARG A 94 14.724 20.899 23.545 1.00 38.89 C ATOM 724 CG ARG A 94 15.480 19.597 23.819 1.00 37.98 C ATOM 725 CD ARG A 94 14.587 18.366 23.711 1.00 39.29 C ATOM 726 NE ARG A 94 13.643 18.275 24.835 1.00 39.78 N ATOM 727 CZ ARG A 94 12.482 17.623 24.863 1.00 39.84 C ATOM 728 NH1 ARG A 94 11.978 16.989 23.807 1.00 39.48 N ATOM 729 NH2 ARG A 94 11.774 17.662 25.968 1.00 41.59 N ATOM 0 H ARG A 94 15.717 21.921 25.562 1.00 37.10 H new ATOM 0 HA ARG A 94 16.384 21.912 23.010 1.00 36.67 H new ATOM 0 HB2 ARG A 94 14.015 21.004 24.199 1.00 38.89 H new ATOM 0 HB3 ARG A 94 14.301 20.848 22.674 1.00 38.89 H new ATOM 0 HG2 ARG A 94 16.215 19.515 23.191 1.00 37.98 H new ATOM 0 HG3 ARG A 94 15.869 19.633 24.707 1.00 37.98 H new ATOM 0 HD2 ARG A 94 14.094 18.396 22.876 1.00 39.29 H new ATOM 0 HD3 ARG A 94 15.138 17.568 23.686 1.00 39.29 H new ATOM 0 HE ARG A 94 13.866 18.689 25.555 1.00 39.78 H new ATOM 0 HH11 ARG A 94 12.406 16.988 23.061 1.00 39.48 H new ATOM 0 HH12 ARG A 94 11.224 16.580 23.870 1.00 39.48 H new ATOM 0 HH21 ARG A 94 12.063 18.101 26.649 1.00 41.59 H new ATOM 0 HH22 ARG A 94 11.021 17.249 26.011 1.00 41.59 H new ATOM 730 N PHE A 95 14.099 23.979 23.911 1.00 39.57 N ATOM 731 CA PHE A 95 13.393 25.233 23.566 1.00 37.20 C ATOM 732 C PHE A 95 14.365 26.323 23.090 1.00 36.22 C ATOM 733 O PHE A 95 14.139 26.949 22.051 1.00 37.56 O ATOM 734 CB PHE A 95 12.515 25.701 24.741 1.00 37.23 C ATOM 735 CG PHE A 95 12.114 27.147 24.678 1.00 40.05 C ATOM 736 CD1 PHE A 95 11.244 27.605 23.683 1.00 35.05 C ATOM 737 CD2 PHE A 95 12.624 28.066 25.617 1.00 42.41 C ATOM 738 CE1 PHE A 95 10.890 28.964 23.609 1.00 36.02 C ATOM 739 CE2 PHE A 95 12.266 29.426 25.559 1.00 43.50 C ATOM 740 CZ PHE A 95 11.376 29.872 24.568 1.00 37.50 C ATOM 0 H PHE A 95 13.922 23.686 24.700 1.00 39.57 H new ATOM 0 HA PHE A 95 12.804 25.052 22.817 1.00 37.20 H new ATOM 0 HB2 PHE A 95 11.714 25.155 24.769 1.00 37.23 H new ATOM 0 HB3 PHE A 95 12.993 25.545 25.570 1.00 37.23 H new ATOM 0 HD1 PHE A 95 10.896 27.005 23.064 1.00 35.05 H new ATOM 0 HD2 PHE A 95 13.203 27.771 26.282 1.00 42.41 H new ATOM 0 HE1 PHE A 95 10.334 29.263 22.926 1.00 36.02 H new ATOM 0 HE2 PHE A 95 12.618 30.028 26.175 1.00 43.50 H new ATOM 0 HZ PHE A 95 11.109 30.763 24.546 1.00 37.50 H new ATOM 741 N VAL A 96 15.440 26.519 23.847 1.00 38.33 N ATOM 742 CA VAL A 96 16.480 27.520 23.536 1.00 37.97 C ATOM 743 C VAL A 96 17.076 27.322 22.147 1.00 38.84 C ATOM 744 O VAL A 96 17.218 28.300 21.397 1.00 37.43 O ATOM 745 CB VAL A 96 17.547 27.588 24.679 1.00 38.44 C ATOM 746 CG1 VAL A 96 18.730 28.437 24.281 1.00 40.36 C ATOM 747 CG2 VAL A 96 16.874 28.150 25.952 1.00 39.52 C ATOM 0 H VAL A 96 15.595 26.073 24.566 1.00 38.33 H new ATOM 0 HA VAL A 96 16.059 28.393 23.502 1.00 37.97 H new ATOM 0 HB VAL A 96 17.884 26.695 24.851 1.00 38.44 H new ATOM 0 HG11 VAL A 96 19.372 28.459 25.008 1.00 40.36 H new ATOM 0 HG12 VAL A 96 19.149 28.059 23.492 1.00 40.36 H new ATOM 0 HG13 VAL A 96 18.431 29.339 24.087 1.00 40.36 H new ATOM 0 HG21 VAL A 96 17.526 28.197 26.669 1.00 39.52 H new ATOM 0 HG22 VAL A 96 16.529 29.038 25.771 1.00 39.52 H new ATOM 0 HG23 VAL A 96 16.145 27.568 26.217 1.00 39.52 H new ATOM 748 N VAL A 97 17.361 26.066 21.779 1.00 38.99 N ATOM 749 CA VAL A 97 17.914 25.751 20.444 1.00 37.19 C ATOM 750 C VAL A 97 16.925 26.046 19.314 1.00 38.45 C ATOM 751 O VAL A 97 17.278 26.658 18.294 1.00 36.14 O ATOM 752 CB VAL A 97 18.435 24.291 20.386 1.00 37.99 C ATOM 753 CG1 VAL A 97 18.866 23.885 18.959 1.00 36.83 C ATOM 754 CG2 VAL A 97 19.611 24.140 21.356 1.00 38.81 C ATOM 0 H VAL A 97 17.243 25.380 22.284 1.00 38.99 H new ATOM 0 HA VAL A 97 18.670 26.342 20.304 1.00 37.19 H new ATOM 0 HB VAL A 97 17.710 23.700 20.644 1.00 37.99 H new ATOM 0 HG11 VAL A 97 19.184 22.969 18.965 1.00 36.83 H new ATOM 0 HG12 VAL A 97 18.108 23.959 18.358 1.00 36.83 H new ATOM 0 HG13 VAL A 97 19.577 24.472 18.656 1.00 36.83 H new ATOM 0 HG21 VAL A 97 19.942 23.229 21.325 1.00 38.81 H new ATOM 0 HG22 VAL A 97 20.321 24.750 21.102 1.00 38.81 H new ATOM 0 HG23 VAL A 97 19.316 24.346 22.257 1.00 38.81 H new HETATM 755 N MSE A 98 15.676 25.647 19.525 1.00 37.76 N HETATM 756 CA MSE A 98 14.596 25.880 18.557 1.00 41.03 C HETATM 757 C MSE A 98 14.276 27.368 18.411 1.00 40.99 C HETATM 758 O MSE A 98 14.088 27.852 17.291 1.00 40.94 O HETATM 759 CB MSE A 98 13.340 25.119 18.962 1.00 40.52 C HETATM 760 CG MSE A 98 13.461 23.611 18.970 1.00 40.73 C HETATM 761 SE MSE A 98 13.734 22.849 17.205 0.75 40.27 SE HETATM 762 CE MSE A 98 15.701 22.735 17.067 1.00 43.28 C HETATM 0 H MSE A 98 15.425 25.231 20.235 1.00 37.76 H new HETATM 0 HA MSE A 98 14.905 25.554 17.698 1.00 41.03 H new HETATM 0 HB2 MSE A 98 13.077 25.411 19.849 1.00 40.52 H new HETATM 0 HB3 MSE A 98 12.623 25.366 18.358 1.00 40.52 H new HETATM 0 HG2 MSE A 98 14.201 23.356 19.543 1.00 40.73 H new HETATM 0 HG3 MSE A 98 12.657 23.231 19.358 1.00 40.73 H new HETATM 0 HE1 MSE A 98 15.944 22.360 16.206 1.00 43.28 H new HETATM 0 HE2 MSE A 98 16.084 23.622 17.153 1.00 43.28 H new HETATM 0 HE3 MSE A 98 16.043 22.166 17.775 1.00 43.28 H new ATOM 763 N ARG A 99 14.219 28.090 19.534 1.00 40.14 N ATOM 764 CA ARG A 99 14.005 29.554 19.476 1.00 41.49 C ATOM 765 C ARG A 99 15.131 30.256 18.709 1.00 41.81 C ATOM 766 O ARG A 99 14.862 31.173 17.920 1.00 41.76 O ATOM 767 CB ARG A 99 13.878 30.163 20.868 1.00 40.20 C ATOM 768 CG ARG A 99 13.575 31.679 20.852 1.00 44.98 C ATOM 769 CD ARG A 99 13.382 32.179 22.251 1.00 44.09 C ATOM 770 NE ARG A 99 14.617 31.979 23.006 1.00 44.89 N ATOM 771 CZ ARG A 99 14.763 32.149 24.317 1.00 46.53 C ATOM 772 NH1 ARG A 99 13.776 32.605 25.069 1.00 48.27 N ATOM 773 NH2 ARG A 99 15.947 31.913 24.872 1.00 44.06 N ATOM 0 H ARG A 99 14.299 27.766 20.327 1.00 40.14 H new ATOM 0 HA ARG A 99 13.170 29.692 19.002 1.00 41.49 H new ATOM 0 HB2 ARG A 99 13.173 29.704 21.351 1.00 40.20 H new ATOM 0 HB3 ARG A 99 14.702 30.010 21.357 1.00 40.20 H new ATOM 0 HG2 ARG A 99 14.304 32.158 20.427 1.00 44.98 H new ATOM 0 HG3 ARG A 99 12.778 31.852 20.326 1.00 44.98 H new ATOM 0 HD2 ARG A 99 13.145 33.120 22.240 1.00 44.09 H new ATOM 0 HD3 ARG A 99 12.649 31.707 22.677 1.00 44.09 H new ATOM 0 HE ARG A 99 15.311 31.729 22.563 1.00 44.89 H new ATOM 0 HH11 ARG A 99 13.018 32.799 24.712 1.00 48.27 H new ATOM 0 HH12 ARG A 99 13.892 32.707 25.915 1.00 48.27 H new ATOM 0 HH21 ARG A 99 16.606 31.654 24.385 1.00 44.06 H new ATOM 0 HH22 ARG A 99 16.054 32.019 25.719 1.00 44.06 H new ATOM 774 N ARG A 100 16.377 29.838 18.946 1.00 42.91 N ATOM 775 CA ARG A 100 17.542 30.392 18.234 1.00 46.20 C ATOM 776 C ARG A 100 17.394 30.198 16.712 1.00 44.72 C ATOM 777 O ARG A 100 17.636 31.128 15.932 1.00 42.76 O ATOM 778 CB ARG A 100 18.842 29.755 18.746 1.00 46.33 C ATOM 779 CG ARG A 100 20.108 30.368 18.183 1.00 50.21 C ATOM 780 CD ARG A 100 21.365 29.806 18.826 1.00 53.87 C ATOM 781 NE ARG A 100 21.478 30.151 20.258 1.00 64.30 N ATOM 782 CZ ARG A 100 21.287 29.341 21.314 1.00 66.02 C ATOM 783 NH1 ARG A 100 20.992 28.042 21.179 1.00 62.43 N ATOM 784 NH2 ARG A 100 21.437 29.841 22.552 1.00 65.11 N ATOM 0 H ARG A 100 16.574 29.229 19.520 1.00 42.91 H new ATOM 0 HA ARG A 100 17.584 31.345 18.411 1.00 46.20 H new ATOM 0 HB2 ARG A 100 18.864 29.826 19.713 1.00 46.33 H new ATOM 0 HB3 ARG A 100 18.831 28.809 18.531 1.00 46.33 H new ATOM 0 HG2 ARG A 100 20.141 30.212 17.226 1.00 50.21 H new ATOM 0 HG3 ARG A 100 20.084 31.329 18.313 1.00 50.21 H new ATOM 0 HD2 ARG A 100 21.369 28.841 18.729 1.00 53.87 H new ATOM 0 HD3 ARG A 100 22.143 30.142 18.354 1.00 53.87 H new ATOM 0 HE ARG A 100 21.691 30.965 20.437 1.00 64.30 H new ATOM 0 HH11 ARG A 100 20.918 27.697 20.395 1.00 62.43 H new ATOM 0 HH12 ARG A 100 20.876 27.553 21.877 1.00 62.43 H new ATOM 0 HH21 ARG A 100 21.652 30.667 22.659 1.00 65.11 H new ATOM 0 HH22 ARG A 100 21.318 29.335 23.237 1.00 65.11 H new ATOM 785 N LYS A 101 16.976 29.003 16.307 1.00 42.58 N ATOM 786 CA LYS A 101 16.713 28.716 14.897 1.00 42.97 C ATOM 787 C LYS A 101 15.631 29.668 14.324 1.00 42.16 C ATOM 788 O LYS A 101 15.803 30.231 13.250 1.00 41.73 O ATOM 789 CB LYS A 101 16.319 27.247 14.742 1.00 43.55 C ATOM 790 CG LYS A 101 16.024 26.776 13.328 1.00 46.21 C ATOM 791 CD LYS A 101 15.690 25.267 13.281 1.00 45.31 C ATOM 792 CE LYS A 101 16.862 24.356 13.656 1.00 48.53 C ATOM 793 NZ LYS A 101 18.110 24.630 12.847 1.00 48.79 N ATOM 0 H LYS A 101 16.837 28.339 16.836 1.00 42.58 H new ATOM 0 HA LYS A 101 17.521 28.873 14.383 1.00 42.97 H new ATOM 0 HB2 LYS A 101 17.034 26.700 15.102 1.00 43.55 H new ATOM 0 HB3 LYS A 101 15.534 27.083 15.288 1.00 43.55 H new ATOM 0 HG2 LYS A 101 15.280 27.283 12.967 1.00 46.21 H new ATOM 0 HG3 LYS A 101 16.791 26.955 12.761 1.00 46.21 H new ATOM 0 HD2 LYS A 101 14.950 25.090 13.883 1.00 45.31 H new ATOM 0 HD3 LYS A 101 15.389 25.040 12.387 1.00 45.31 H new ATOM 0 HE2 LYS A 101 17.063 24.468 14.598 1.00 48.53 H new ATOM 0 HE3 LYS A 101 16.598 23.431 13.530 1.00 48.53 H new ATOM 0 HZ1 LYS A 101 18.648 23.922 12.882 1.00 48.79 H new ATOM 0 HZ2 LYS A 101 17.886 24.791 12.001 1.00 48.79 H new ATOM 0 HZ3 LYS A 101 18.531 25.339 13.182 1.00 48.79 H new ATOM 794 N TRP A 102 14.549 29.858 15.080 1.00 41.57 N ATOM 795 CA TRP A 102 13.434 30.734 14.694 1.00 41.72 C ATOM 796 C TRP A 102 13.878 32.208 14.638 1.00 43.37 C ATOM 797 O TRP A 102 13.450 32.954 13.741 1.00 42.23 O ATOM 798 CB TRP A 102 12.255 30.525 15.663 1.00 44.16 C ATOM 799 CG TRP A 102 11.086 31.413 15.443 1.00 39.49 C ATOM 800 CD1 TRP A 102 10.027 31.189 14.624 1.00 45.99 C ATOM 801 CD2 TRP A 102 10.878 32.692 16.037 1.00 43.23 C ATOM 802 NE1 TRP A 102 9.155 32.248 14.681 1.00 44.71 N ATOM 803 CE2 TRP A 102 9.652 33.187 15.544 1.00 43.81 C ATOM 804 CE3 TRP A 102 11.595 33.455 16.967 1.00 44.81 C ATOM 805 CZ2 TRP A 102 9.123 34.425 15.948 1.00 46.79 C ATOM 806 CZ3 TRP A 102 11.086 34.692 17.361 1.00 50.41 C ATOM 807 CH2 TRP A 102 9.853 35.161 16.854 1.00 46.63 C ATOM 0 H TRP A 102 14.438 29.477 15.843 1.00 41.57 H new ATOM 0 HA TRP A 102 13.140 30.499 13.800 1.00 41.72 H new ATOM 0 HB2 TRP A 102 11.960 29.604 15.595 1.00 44.16 H new ATOM 0 HB3 TRP A 102 12.574 30.654 16.570 1.00 44.16 H new ATOM 0 HD1 TRP A 102 9.909 30.429 14.101 1.00 45.99 H new ATOM 0 HE1 TRP A 102 8.416 32.311 14.245 1.00 44.71 H new ATOM 0 HE3 TRP A 102 12.398 33.142 17.316 1.00 44.81 H new ATOM 0 HZ2 TRP A 102 8.311 34.735 15.616 1.00 46.79 H new ATOM 0 HZ3 TRP A 102 11.563 35.214 17.964 1.00 50.41 H new ATOM 0 HH2 TRP A 102 9.528 35.985 17.138 1.00 46.63 H new ATOM 808 N GLU A 103 14.714 32.614 15.596 1.00 41.86 N ATOM 809 CA GLU A 103 15.236 33.987 15.649 1.00 45.15 C ATOM 810 C GLU A 103 16.103 34.303 14.423 1.00 44.92 C ATOM 811 O GLU A 103 15.986 35.386 13.855 1.00 48.17 O ATOM 812 CB GLU A 103 15.982 34.253 16.964 1.00 42.28 C ATOM 813 CG GLU A 103 15.029 34.465 18.135 1.00 49.57 C ATOM 814 CD GLU A 103 15.700 34.613 19.510 1.00 51.07 C ATOM 815 OE1 GLU A 103 16.893 34.257 19.666 1.00 58.57 O ATOM 816 OE2 GLU A 103 14.984 35.060 20.443 1.00 61.32 O ATOM 0 H GLU A 103 14.994 32.106 16.231 1.00 41.86 H new ATOM 0 HA GLU A 103 14.478 34.592 15.625 1.00 45.15 H new ATOM 0 HB2 GLU A 103 16.569 33.505 17.158 1.00 42.28 H new ATOM 0 HB3 GLU A 103 16.545 35.036 16.862 1.00 42.28 H new ATOM 0 HG2 GLU A 103 14.500 35.260 17.963 1.00 49.57 H new ATOM 0 HG3 GLU A 103 14.413 33.717 18.171 1.00 49.57 H new ATOM 817 N ALA A 104 16.937 33.352 14.016 1.00 43.71 N ATOM 818 CA ALA A 104 17.751 33.481 12.812 1.00 44.13 C ATOM 819 C ALA A 104 16.889 33.439 11.539 1.00 44.49 C ATOM 820 O ALA A 104 17.099 34.231 10.629 1.00 44.77 O ATOM 821 CB ALA A 104 18.822 32.403 12.769 1.00 44.22 C ATOM 0 H ALA A 104 17.047 32.608 14.434 1.00 43.71 H new ATOM 0 HA ALA A 104 18.186 34.348 12.844 1.00 44.13 H new ATOM 0 HB1 ALA A 104 19.352 32.505 11.963 1.00 44.22 H new ATOM 0 HB2 ALA A 104 19.397 32.486 13.546 1.00 44.22 H new ATOM 0 HB3 ALA A 104 18.402 31.529 12.771 1.00 44.22 H new ATOM 822 N ASP A 105 15.918 32.527 11.474 1.00 42.75 N ATOM 823 CA ASP A 105 15.058 32.402 10.292 1.00 41.56 C ATOM 824 C ASP A 105 13.851 31.535 10.627 1.00 40.45 C ATOM 825 O ASP A 105 14.007 30.320 10.755 1.00 41.42 O ATOM 826 CB ASP A 105 15.835 31.785 9.117 1.00 41.19 C ATOM 827 CG ASP A 105 15.045 31.775 7.793 1.00 42.02 C ATOM 828 OD1 ASP A 105 13.823 32.048 7.746 1.00 46.21 O ATOM 829 OD2 ASP A 105 15.693 31.505 6.767 1.00 53.98 O ATOM 0 H ASP A 105 15.740 31.970 12.104 1.00 42.75 H new ATOM 0 HA ASP A 105 14.759 33.287 10.031 1.00 41.56 H new ATOM 0 HB2 ASP A 105 16.660 32.279 8.989 1.00 41.19 H new ATOM 0 HB3 ASP A 105 16.082 30.875 9.345 1.00 41.19 H new ATOM 830 N PRO A 106 12.657 32.139 10.778 1.00 42.59 N ATOM 831 CA PRO A 106 11.455 31.335 11.051 1.00 41.99 C ATOM 832 C PRO A 106 11.152 30.224 10.018 1.00 42.40 C ATOM 833 O PRO A 106 10.588 29.180 10.378 1.00 39.85 O ATOM 834 CB PRO A 106 10.339 32.374 11.061 1.00 43.64 C ATOM 835 CG PRO A 106 11.009 33.628 11.408 1.00 45.19 C ATOM 836 CD PRO A 106 12.331 33.576 10.735 1.00 43.36 C ATOM 0 HA PRO A 106 11.563 30.838 11.877 1.00 41.99 H new ATOM 0 HB2 PRO A 106 9.904 32.434 10.196 1.00 43.64 H new ATOM 0 HB3 PRO A 106 9.653 32.149 11.709 1.00 43.64 H new ATOM 0 HG2 PRO A 106 10.494 34.393 11.107 1.00 45.19 H new ATOM 0 HG3 PRO A 106 11.110 33.715 12.369 1.00 45.19 H new ATOM 0 HD2 PRO A 106 12.286 33.909 9.825 1.00 43.36 H new ATOM 0 HD3 PRO A 106 12.994 34.110 11.200 1.00 43.36 H new ATOM 837 N VAL A 107 11.536 30.449 8.760 1.00 41.66 N ATOM 838 CA VAL A 107 11.338 29.458 7.691 1.00 42.99 C ATOM 839 C VAL A 107 12.208 28.212 7.935 1.00 42.67 C ATOM 840 O VAL A 107 11.767 27.102 7.600 1.00 42.72 O ATOM 841 CB VAL A 107 11.512 30.085 6.256 1.00 42.58 C ATOM 842 CG1 VAL A 107 11.273 29.059 5.178 1.00 40.42 C ATOM 843 CG2 VAL A 107 10.528 31.225 6.074 1.00 45.09 C ATOM 0 H VAL A 107 11.917 31.175 8.500 1.00 41.66 H new ATOM 0 HA VAL A 107 10.415 29.160 7.720 1.00 42.99 H new ATOM 0 HB VAL A 107 12.423 30.410 6.181 1.00 42.58 H new ATOM 0 HG11 VAL A 107 11.386 29.472 4.307 1.00 40.42 H new ATOM 0 HG12 VAL A 107 11.908 28.332 5.276 1.00 40.42 H new ATOM 0 HG13 VAL A 107 10.371 28.712 5.256 1.00 40.42 H new ATOM 0 HG21 VAL A 107 10.637 31.609 5.190 1.00 45.09 H new ATOM 0 HG22 VAL A 107 9.623 30.890 6.171 1.00 45.09 H new ATOM 0 HG23 VAL A 107 10.694 31.906 6.745 1.00 45.09 H new ATOM 844 N LYS A 108 13.403 28.378 8.537 1.00 42.84 N ATOM 845 CA LYS A 108 14.258 27.220 8.892 1.00 43.44 C ATOM 846 C LYS A 108 13.628 26.346 9.965 1.00 41.57 C ATOM 847 O LYS A 108 13.766 25.134 9.888 1.00 40.47 O ATOM 848 CB LYS A 108 15.699 27.592 9.279 1.00 44.54 C ATOM 849 CG LYS A 108 16.505 28.168 8.132 1.00 49.49 C ATOM 850 CD LYS A 108 17.992 28.185 8.427 1.00 56.93 C ATOM 851 CE LYS A 108 18.748 29.190 7.564 1.00 63.48 C ATOM 852 NZ LYS A 108 18.505 29.032 6.122 1.00 70.98 N ATOM 0 H LYS A 108 13.734 29.143 8.747 1.00 42.84 H new ATOM 0 HA LYS A 108 14.320 26.707 8.071 1.00 43.44 H new ATOM 0 HB2 LYS A 108 15.675 28.236 10.004 1.00 44.54 H new ATOM 0 HB3 LYS A 108 16.150 26.802 9.617 1.00 44.54 H new ATOM 0 HG2 LYS A 108 16.342 27.646 7.331 1.00 49.49 H new ATOM 0 HG3 LYS A 108 16.203 29.071 7.949 1.00 49.49 H new ATOM 0 HD2 LYS A 108 18.130 28.398 9.363 1.00 56.93 H new ATOM 0 HD3 LYS A 108 18.358 27.298 8.281 1.00 56.93 H new ATOM 0 HE2 LYS A 108 18.495 30.088 7.830 1.00 63.48 H new ATOM 0 HE3 LYS A 108 19.699 29.101 7.735 1.00 63.48 H new ATOM 0 HZ1 LYS A 108 18.913 29.687 5.679 1.00 70.98 H new ATOM 0 HZ2 LYS A 108 18.825 28.247 5.851 1.00 70.98 H new ATOM 0 HZ3 LYS A 108 17.630 29.066 5.963 1.00 70.98 H new ATOM 853 N LEU A 109 12.928 26.948 10.941 1.00 41.41 N ATOM 854 CA LEU A 109 12.188 26.173 11.945 1.00 41.56 C ATOM 855 C LEU A 109 11.034 25.442 11.260 1.00 40.24 C ATOM 856 O LEU A 109 10.832 24.260 11.534 1.00 39.61 O ATOM 857 CB LEU A 109 11.647 27.022 13.114 1.00 40.61 C ATOM 858 CG LEU A 109 10.938 26.219 14.229 1.00 42.75 C ATOM 859 CD1 LEU A 109 11.783 25.055 14.819 1.00 38.31 C ATOM 860 CD2 LEU A 109 10.430 27.129 15.363 1.00 43.46 C ATOM 0 H LEU A 109 12.871 27.801 11.036 1.00 41.41 H new ATOM 0 HA LEU A 109 12.817 25.546 12.336 1.00 41.56 H new ATOM 0 HB2 LEU A 109 12.384 27.514 13.507 1.00 40.61 H new ATOM 0 HB3 LEU A 109 11.025 27.677 12.760 1.00 40.61 H new ATOM 0 HG LEU A 109 10.179 25.811 13.783 1.00 42.75 H new ATOM 0 HD11 LEU A 109 11.273 24.602 15.509 1.00 38.31 H new ATOM 0 HD12 LEU A 109 12.004 24.426 14.115 1.00 38.31 H new ATOM 0 HD13 LEU A 109 12.600 25.410 15.203 1.00 38.31 H new ATOM 0 HD21 LEU A 109 9.993 26.589 16.040 1.00 43.46 H new ATOM 0 HD22 LEU A 109 11.179 27.601 15.760 1.00 43.46 H new ATOM 0 HD23 LEU A 109 9.798 27.771 15.004 1.00 43.46 H new ATOM 861 N GLN A 110 10.279 26.145 10.400 1.00 41.53 N ATOM 862 CA GLN A 110 9.189 25.520 9.603 1.00 42.21 C ATOM 863 C GLN A 110 9.736 24.283 8.878 1.00 40.38 C ATOM 864 O GLN A 110 9.173 23.193 8.986 1.00 38.67 O ATOM 865 CB GLN A 110 8.600 26.454 8.526 1.00 43.82 C ATOM 866 CG GLN A 110 7.519 27.451 8.890 1.00 52.60 C ATOM 867 CD GLN A 110 7.072 28.347 7.677 1.00 49.22 C ATOM 868 OE1 GLN A 110 7.613 28.262 6.565 1.00 57.93 O ATOM 869 NE2 GLN A 110 6.075 29.181 7.912 1.00 62.69 N ATOM 0 H GLN A 110 10.378 26.988 10.259 1.00 41.53 H new ATOM 0 HA GLN A 110 8.486 25.302 10.234 1.00 42.21 H new ATOM 0 HB2 GLN A 110 9.338 26.956 8.146 1.00 43.82 H new ATOM 0 HB3 GLN A 110 8.246 25.891 7.820 1.00 43.82 H new ATOM 0 HG2 GLN A 110 6.748 26.973 9.233 1.00 52.60 H new ATOM 0 HG3 GLN A 110 7.841 28.022 9.605 1.00 52.60 H new ATOM 0 HE21 GLN A 110 5.720 29.217 8.694 1.00 62.69 H new ATOM 0 HE22 GLN A 110 5.781 29.688 7.283 1.00 62.69 H new ATOM 870 N THR A 111 10.839 24.467 8.152 1.00 38.90 N ATOM 871 CA THR A 111 11.474 23.367 7.399 1.00 39.49 C ATOM 872 C THR A 111 11.919 22.215 8.300 1.00 39.47 C ATOM 873 O THR A 111 11.707 21.040 7.975 1.00 39.13 O ATOM 874 CB THR A 111 12.640 23.882 6.572 1.00 39.60 C ATOM 875 OG1 THR A 111 12.161 24.929 5.728 1.00 39.90 O ATOM 876 CG2 THR A 111 13.289 22.742 5.715 1.00 37.16 C ATOM 0 H THR A 111 11.242 25.223 8.078 1.00 38.90 H new ATOM 0 HA THR A 111 10.798 23.011 6.802 1.00 39.49 H new ATOM 0 HB THR A 111 13.330 24.216 7.167 1.00 39.60 H new ATOM 0 HG1 THR A 111 12.052 25.627 6.182 1.00 39.90 H new ATOM 0 HG21 THR A 111 14.028 23.104 5.201 1.00 37.16 H new ATOM 0 HG22 THR A 111 13.616 22.042 6.302 1.00 37.16 H new ATOM 0 HG23 THR A 111 12.626 22.373 5.111 1.00 37.16 H new ATOM 877 N TYR A 112 12.542 22.555 9.425 1.00 39.63 N ATOM 878 CA TYR A 112 12.943 21.570 10.414 1.00 38.70 C ATOM 879 C TYR A 112 11.748 20.702 10.860 1.00 38.61 C ATOM 880 O TYR A 112 11.849 19.498 10.897 1.00 38.32 O ATOM 881 CB TYR A 112 13.610 22.225 11.620 1.00 40.82 C ATOM 882 CG TYR A 112 13.969 21.265 12.715 1.00 38.75 C ATOM 883 CD1 TYR A 112 15.166 20.562 12.690 1.00 40.71 C ATOM 884 CD2 TYR A 112 13.106 21.032 13.776 1.00 40.92 C ATOM 885 CE1 TYR A 112 15.493 19.662 13.711 1.00 39.91 C ATOM 886 CE2 TYR A 112 13.414 20.129 14.777 1.00 39.21 C ATOM 887 CZ TYR A 112 14.627 19.457 14.744 1.00 43.19 C ATOM 888 OH TYR A 112 14.946 18.589 15.759 1.00 44.47 O ATOM 0 H TYR A 112 12.743 23.365 9.633 1.00 39.63 H new ATOM 0 HA TYR A 112 13.595 20.991 9.990 1.00 38.70 H new ATOM 0 HB2 TYR A 112 14.414 22.681 11.325 1.00 40.82 H new ATOM 0 HB3 TYR A 112 13.015 22.902 11.978 1.00 40.82 H new ATOM 0 HD1 TYR A 112 15.759 20.691 11.985 1.00 40.71 H new ATOM 0 HD2 TYR A 112 12.300 21.495 13.815 1.00 40.92 H new ATOM 0 HE1 TYR A 112 16.302 19.203 13.685 1.00 39.91 H new ATOM 0 HE2 TYR A 112 12.812 19.973 15.468 1.00 39.21 H new ATOM 0 HH TYR A 112 15.655 18.182 15.567 1.00 44.47 H new ATOM 889 N ILE A 113 10.621 21.326 11.155 1.00 39.24 N ATOM 890 CA ILE A 113 9.433 20.587 11.594 1.00 39.41 C ATOM 891 C ILE A 113 8.860 19.719 10.464 1.00 39.99 C ATOM 892 O ILE A 113 8.552 18.538 10.685 1.00 41.92 O ATOM 893 CB ILE A 113 8.320 21.567 12.100 1.00 40.29 C ATOM 894 CG1 ILE A 113 8.773 22.286 13.366 1.00 42.00 C ATOM 895 CG2 ILE A 113 6.986 20.821 12.345 1.00 40.46 C ATOM 896 CD1 ILE A 113 7.851 23.457 13.739 1.00 42.49 C ATOM 0 H ILE A 113 10.515 22.178 11.110 1.00 39.24 H new ATOM 0 HA ILE A 113 9.712 20.010 12.322 1.00 39.41 H new ATOM 0 HB ILE A 113 8.168 22.229 11.407 1.00 40.29 H new ATOM 0 HG12 ILE A 113 8.801 21.654 14.101 1.00 42.00 H new ATOM 0 HG13 ILE A 113 9.676 22.616 13.241 1.00 42.00 H new ATOM 0 HG21 ILE A 113 6.316 21.449 12.657 1.00 40.46 H new ATOM 0 HG22 ILE A 113 6.686 20.414 11.517 1.00 40.46 H new ATOM 0 HG23 ILE A 113 7.119 20.132 13.015 1.00 40.46 H new ATOM 0 HD11 ILE A 113 8.178 23.882 14.547 1.00 42.49 H new ATOM 0 HD12 ILE A 113 7.840 24.104 13.016 1.00 42.49 H new ATOM 0 HD13 ILE A 113 6.952 23.126 13.889 1.00 42.49 H new ATOM 897 N GLU A 114 8.724 20.312 9.277 1.00 39.48 N ATOM 898 CA AGLU A 114 8.141 19.643 8.103 0.50 41.71 C ATOM 899 CA BGLU A 114 8.116 19.608 8.140 0.50 40.16 C ATOM 900 C GLU A 114 8.958 18.425 7.678 1.00 39.09 C ATOM 901 O GLU A 114 8.418 17.343 7.465 1.00 40.56 O ATOM 902 CB AGLU A 114 8.006 20.637 6.927 0.50 42.78 C ATOM 903 CB BGLU A 114 7.794 20.561 6.973 0.50 41.55 C ATOM 904 CG AGLU A 114 6.954 21.734 7.165 0.50 48.77 C ATOM 905 CG BGLU A 114 6.683 21.573 7.282 0.50 47.01 C ATOM 906 CD AGLU A 114 7.071 22.969 6.249 0.50 47.45 C ATOM 907 CD BGLU A 114 5.331 20.929 7.549 0.50 48.25 C ATOM 908 OE1AGLU A 114 7.900 23.005 5.300 0.50 48.22 O ATOM 909 OE1BGLU A 114 4.891 20.106 6.712 0.50 47.93 O ATOM 910 OE2AGLU A 114 6.279 23.913 6.482 0.50 50.65 O ATOM 911 OE2BGLU A 114 4.717 21.255 8.595 0.50 49.99 O ATOM 0 H AGLU A 114 8.969 21.122 9.126 0.50 39.48 H new ATOM 0 H BGLU A 114 8.975 21.117 9.107 0.50 39.48 H new ATOM 0 HA AGLU A 114 7.259 19.329 8.355 0.50 40.16 H new ATOM 0 HA BGLU A 114 7.273 19.250 8.459 0.50 40.16 H new ATOM 0 HB2AGLU A 114 8.867 21.054 6.766 0.50 41.55 H new ATOM 0 HB2BGLU A 114 8.600 21.043 6.730 0.50 41.55 H new ATOM 0 HB3AGLU A 114 7.774 20.146 6.123 0.50 41.55 H new ATOM 0 HB3BGLU A 114 7.534 20.035 6.200 0.50 41.55 H new ATOM 0 HG2AGLU A 114 6.072 21.346 7.050 0.50 47.01 H new ATOM 0 HG2BGLU A 114 6.941 22.099 8.055 0.50 47.01 H new ATOM 0 HG3AGLU A 114 7.017 22.027 8.088 0.50 47.01 H new ATOM 0 HG3BGLU A 114 6.599 22.187 6.536 0.50 47.01 H new ATOM 912 N VAL A 115 10.264 18.616 7.557 1.00 38.28 N ATOM 913 CA VAL A 115 11.136 17.523 7.168 1.00 38.15 C ATOM 914 C VAL A 115 11.130 16.430 8.246 1.00 36.14 C ATOM 915 O VAL A 115 11.018 15.261 7.917 1.00 37.21 O ATOM 916 CB VAL A 115 12.584 17.980 6.864 1.00 37.45 C ATOM 917 CG1 VAL A 115 13.470 16.769 6.583 1.00 37.56 C ATOM 918 CG2 VAL A 115 12.621 18.895 5.650 1.00 34.64 C ATOM 0 H VAL A 115 10.662 19.366 7.695 1.00 38.28 H new ATOM 0 HA VAL A 115 10.782 17.163 6.340 1.00 38.15 H new ATOM 0 HB VAL A 115 12.910 18.461 7.641 1.00 37.45 H new ATOM 0 HG11 VAL A 115 14.374 17.066 6.394 1.00 37.56 H new ATOM 0 HG12 VAL A 115 13.477 16.186 7.358 1.00 37.56 H new ATOM 0 HG13 VAL A 115 13.123 16.284 5.818 1.00 37.56 H new ATOM 0 HG21 VAL A 115 13.536 19.168 5.478 1.00 34.64 H new ATOM 0 HG22 VAL A 115 12.275 18.422 4.877 1.00 34.64 H new ATOM 0 HG23 VAL A 115 12.076 19.679 5.819 1.00 34.64 H new ATOM 919 N GLY A 116 11.254 16.821 9.511 1.00 36.14 N ATOM 920 CA GLY A 116 11.244 15.874 10.632 1.00 38.28 C ATOM 921 C GLY A 116 10.030 14.977 10.661 1.00 40.73 C ATOM 922 O GLY A 116 10.147 13.760 10.846 1.00 42.87 O ATOM 0 H GLY A 116 11.347 17.643 9.747 1.00 36.14 H new ATOM 0 HA2 GLY A 116 12.041 15.324 10.587 1.00 38.28 H new ATOM 0 HA3 GLY A 116 11.289 16.370 11.464 1.00 38.28 H new ATOM 923 N ASN A 117 8.863 15.569 10.447 1.00 42.64 N ATOM 924 CA ASN A 117 7.601 14.796 10.375 1.00 46.21 C ATOM 925 C ASN A 117 7.496 13.775 9.259 1.00 46.74 C ATOM 926 O ASN A 117 6.726 12.829 9.393 1.00 50.00 O ATOM 927 CB ASN A 117 6.382 15.733 10.347 1.00 46.79 C ATOM 928 CG ASN A 117 6.150 16.447 11.685 1.00 51.68 C ATOM 929 OD1 ASN A 117 6.554 15.967 12.753 1.00 58.30 O ATOM 930 ND2 ASN A 117 5.467 17.596 11.629 1.00 56.48 N ATOM 0 H ASN A 117 8.767 16.417 10.339 1.00 42.64 H new ATOM 0 HA ASN A 117 7.613 14.268 11.189 1.00 46.21 H new ATOM 0 HB2 ASN A 117 6.504 16.395 9.649 1.00 46.79 H new ATOM 0 HB3 ASN A 117 5.591 15.221 10.117 1.00 46.79 H new ATOM 0 HD21 ASN A 117 5.294 18.029 12.352 1.00 56.48 H new ATOM 0 HD22 ASN A 117 5.201 17.902 10.870 1.00 56.48 H new ATOM 931 N ASP A 118 8.241 13.958 8.167 1.00 47.34 N ATOM 932 CA ASP A 118 8.270 12.983 7.064 1.00 47.93 C ATOM 933 C ASP A 118 9.133 11.757 7.362 1.00 46.15 C ATOM 934 O ASP A 118 9.051 10.761 6.639 1.00 45.86 O ATOM 935 CB ASP A 118 8.749 13.635 5.754 1.00 50.57 C ATOM 936 CG ASP A 118 7.734 14.617 5.160 1.00 54.14 C ATOM 937 OD1 ASP A 118 6.527 14.556 5.487 1.00 61.18 O ATOM 938 OD2 ASP A 118 8.164 15.447 4.329 1.00 63.67 O ATOM 0 H ASP A 118 8.742 14.646 8.042 1.00 47.34 H new ATOM 0 HA ASP A 118 7.354 12.680 6.964 1.00 47.93 H new ATOM 0 HB2 ASP A 118 9.583 14.102 5.918 1.00 50.57 H new ATOM 0 HB3 ASP A 118 8.936 12.940 5.104 1.00 50.57 H new ATOM 939 N TYR A 119 9.980 11.845 8.384 1.00 44.77 N ATOM 940 CA TYR A 119 10.829 10.736 8.803 1.00 44.28 C ATOM 941 C TYR A 119 10.060 9.917 9.857 1.00 46.74 C ATOM 942 O TYR A 119 10.249 10.106 11.066 1.00 43.45 O ATOM 943 CB TYR A 119 12.150 11.270 9.347 1.00 41.82 C ATOM 944 CG TYR A 119 13.035 11.968 8.326 1.00 39.06 C ATOM 945 CD1 TYR A 119 13.210 11.449 7.029 1.00 35.18 C ATOM 946 CD2 TYR A 119 13.757 13.110 8.673 1.00 40.01 C ATOM 947 CE1 TYR A 119 14.052 12.081 6.097 1.00 41.70 C ATOM 948 CE2 TYR A 119 14.605 13.738 7.755 1.00 41.78 C ATOM 949 CZ TYR A 119 14.751 13.211 6.475 1.00 40.91 C ATOM 950 OH TYR A 119 15.607 13.812 5.581 1.00 43.78 O ATOM 0 H TYR A 119 10.078 12.556 8.857 1.00 44.77 H new ATOM 0 HA TYR A 119 11.043 10.160 8.053 1.00 44.28 H new ATOM 0 HB2 TYR A 119 11.959 11.891 10.067 1.00 41.82 H new ATOM 0 HB3 TYR A 119 12.646 10.532 9.733 1.00 41.82 H new ATOM 0 HD1 TYR A 119 12.760 10.673 6.784 1.00 35.18 H new ATOM 0 HD2 TYR A 119 13.673 13.460 9.530 1.00 40.01 H new ATOM 0 HE1 TYR A 119 14.137 11.742 5.235 1.00 41.70 H new ATOM 0 HE2 TYR A 119 15.070 14.506 7.999 1.00 41.78 H new ATOM 0 HH TYR A 119 15.908 13.235 5.050 1.00 43.78 H new ATOM 951 N PHE A 120 9.212 9.008 9.370 1.00 45.47 N ATOM 952 CA PHE A 120 8.311 8.182 10.208 1.00 45.50 C ATOM 953 C PHE A 120 8.937 7.511 11.405 1.00 42.15 C ATOM 954 O PHE A 120 8.523 7.765 12.536 1.00 45.33 O ATOM 955 CB PHE A 120 7.603 7.109 9.329 1.00 46.95 C ATOM 956 CG PHE A 120 6.774 6.088 10.112 1.00 54.98 C ATOM 957 CD1 PHE A 120 7.295 4.820 10.423 1.00 55.71 C ATOM 958 CD2 PHE A 120 5.468 6.381 10.513 1.00 60.95 C ATOM 959 CE1 PHE A 120 6.538 3.875 11.134 1.00 51.27 C ATOM 960 CE2 PHE A 120 4.693 5.427 11.235 1.00 61.43 C ATOM 961 CZ PHE A 120 5.241 4.189 11.549 1.00 53.10 C ATOM 0 H PHE A 120 9.137 8.846 8.529 1.00 45.47 H new ATOM 0 HA PHE A 120 7.682 8.820 10.580 1.00 45.50 H new ATOM 0 HB2 PHE A 120 7.024 7.559 8.694 1.00 46.95 H new ATOM 0 HB3 PHE A 120 8.275 6.635 8.814 1.00 46.95 H new ATOM 0 HD1 PHE A 120 8.158 4.603 10.153 1.00 55.71 H new ATOM 0 HD2 PHE A 120 5.099 7.209 10.306 1.00 60.95 H new ATOM 0 HE1 PHE A 120 6.900 3.041 11.329 1.00 51.27 H new ATOM 0 HE2 PHE A 120 3.824 5.632 11.495 1.00 61.43 H new ATOM 0 HZ PHE A 120 4.745 3.570 12.035 1.00 53.10 H new ATOM 962 N GLU A 121 9.879 6.611 11.151 1.00 41.19 N ATOM 963 CA GLU A 121 10.516 5.868 12.231 1.00 40.86 C ATOM 964 C GLU A 121 11.194 6.802 13.220 1.00 41.31 C ATOM 965 O GLU A 121 10.998 6.653 14.422 1.00 40.08 O ATOM 966 CB GLU A 121 11.518 4.854 11.710 1.00 40.32 C ATOM 967 CG GLU A 121 10.915 3.721 10.968 1.00 40.51 C ATOM 968 CD GLU A 121 11.960 2.767 10.429 1.00 43.77 C ATOM 969 OE1 GLU A 121 12.758 2.222 11.210 1.00 39.84 O ATOM 970 OE2 GLU A 121 11.982 2.565 9.216 1.00 41.12 O ATOM 0 H GLU A 121 10.163 6.416 10.363 1.00 41.19 H new ATOM 0 HA GLU A 121 9.809 5.386 12.689 1.00 40.86 H new ATOM 0 HB2 GLU A 121 12.148 5.308 11.129 1.00 40.32 H new ATOM 0 HB3 GLU A 121 12.025 4.503 12.459 1.00 40.32 H new ATOM 0 HG2 GLU A 121 10.311 3.238 11.554 1.00 40.51 H new ATOM 0 HG3 GLU A 121 10.384 4.065 10.233 1.00 40.51 H new ATOM 971 N GLN A 122 11.929 7.797 12.700 1.00 39.51 N ATOM 972 CA GLN A 122 12.698 8.725 13.522 1.00 36.10 C ATOM 973 C GLN A 122 11.882 9.650 14.422 1.00 35.78 C ATOM 974 O GLN A 122 12.211 9.805 15.613 1.00 38.39 O ATOM 975 CB GLN A 122 13.680 9.549 12.649 1.00 37.38 C ATOM 976 CG GLN A 122 14.739 8.685 11.939 1.00 37.62 C ATOM 977 CD GLN A 122 14.332 8.037 10.621 1.00 37.41 C ATOM 978 OE1 GLN A 122 13.184 8.120 10.173 1.00 40.10 O ATOM 979 NE2 GLN A 122 15.296 7.360 9.993 1.00 40.39 N ATOM 0 H GLN A 122 11.991 7.947 11.855 1.00 39.51 H new ATOM 0 HA GLN A 122 13.187 8.153 14.135 1.00 36.10 H new ATOM 0 HB2 GLN A 122 13.175 10.042 11.983 1.00 37.38 H new ATOM 0 HB3 GLN A 122 14.128 10.204 13.208 1.00 37.38 H new ATOM 0 HG2 GLN A 122 15.519 9.238 11.775 1.00 37.62 H new ATOM 0 HG3 GLN A 122 15.013 7.982 12.549 1.00 37.62 H new ATOM 0 HE21 GLN A 122 16.085 7.322 10.332 1.00 40.39 H new ATOM 0 HE22 GLN A 122 15.128 6.962 9.249 1.00 40.39 H new ATOM 980 N VAL A 123 10.886 10.324 13.871 1.00 36.62 N ATOM 981 CA VAL A 123 10.036 11.223 14.673 1.00 39.41 C ATOM 982 C VAL A 123 9.241 10.451 15.748 1.00 39.92 C ATOM 983 O VAL A 123 9.118 10.905 16.885 1.00 38.20 O ATOM 984 CB VAL A 123 9.104 12.102 13.801 1.00 38.24 C ATOM 985 CG1 VAL A 123 7.989 11.286 13.104 1.00 43.16 C ATOM 986 CG2 VAL A 123 8.569 13.281 14.606 1.00 37.85 C ATOM 0 H VAL A 123 10.677 10.283 13.038 1.00 36.62 H new ATOM 0 HA VAL A 123 10.639 11.829 15.131 1.00 39.41 H new ATOM 0 HB VAL A 123 9.636 12.466 13.076 1.00 38.24 H new ATOM 0 HG11 VAL A 123 7.436 11.881 12.573 1.00 43.16 H new ATOM 0 HG12 VAL A 123 8.390 10.617 12.527 1.00 43.16 H new ATOM 0 HG13 VAL A 123 7.441 10.848 13.774 1.00 43.16 H new ATOM 0 HG21 VAL A 123 7.989 13.819 14.045 1.00 37.85 H new ATOM 0 HG22 VAL A 123 8.067 12.952 15.368 1.00 37.85 H new ATOM 0 HG23 VAL A 123 9.310 13.823 14.918 1.00 37.85 H new ATOM 987 N ARG A 124 8.745 9.274 15.393 1.00 41.16 N ATOM 988 CA ARG A 124 8.025 8.452 16.364 1.00 39.67 C ATOM 989 C ARG A 124 8.942 7.937 17.457 1.00 38.43 C ATOM 990 O ARG A 124 8.576 7.989 18.648 1.00 37.49 O ATOM 991 CB ARG A 124 7.261 7.335 15.669 1.00 41.46 C ATOM 992 CG ARG A 124 6.024 7.839 15.035 1.00 54.31 C ATOM 993 CD ARG A 124 5.423 6.854 14.086 1.00 66.75 C ATOM 994 NE ARG A 124 4.123 7.340 13.608 1.00 76.28 N ATOM 995 CZ ARG A 124 3.933 8.333 12.726 1.00 80.76 C ATOM 996 NH1 ARG A 124 2.686 8.653 12.374 1.00 79.70 N ATOM 997 NH2 ARG A 124 4.955 9.025 12.188 1.00 83.05 N ATOM 0 H ARG A 124 8.811 8.933 14.606 1.00 41.16 H new ATOM 0 HA ARG A 124 7.370 9.015 16.805 1.00 39.67 H new ATOM 0 HB2 ARG A 124 7.827 6.924 14.997 1.00 41.46 H new ATOM 0 HB3 ARG A 124 7.038 6.644 16.313 1.00 41.46 H new ATOM 0 HG2 ARG A 124 5.377 8.056 15.724 1.00 54.31 H new ATOM 0 HG3 ARG A 124 6.220 8.662 14.561 1.00 54.31 H new ATOM 0 HD2 ARG A 124 6.020 6.713 13.334 1.00 66.75 H new ATOM 0 HD3 ARG A 124 5.314 5.996 14.526 1.00 66.75 H new ATOM 0 HE ARG A 124 3.421 6.954 13.921 1.00 76.28 H new ATOM 0 HH11 ARG A 124 2.021 8.225 12.711 1.00 79.70 H new ATOM 0 HH12 ARG A 124 2.548 9.287 11.810 1.00 79.70 H new ATOM 0 HH21 ARG A 124 5.765 8.836 12.407 1.00 83.05 H new ATOM 0 HH22 ARG A 124 4.798 9.656 11.625 1.00 83.05 H new ATOM 998 N SER A 125 10.141 7.503 17.071 1.00 37.19 N ATOM 999 CA SER A 125 11.135 7.058 18.027 1.00 37.37 C ATOM 1000 C SER A 125 11.501 8.188 18.980 1.00 38.72 C ATOM 1001 O SER A 125 11.505 7.989 20.194 1.00 35.69 O ATOM 1002 CB SER A 125 12.369 6.491 17.341 1.00 38.73 C ATOM 1003 OG SER A 125 13.283 6.042 18.317 1.00 44.75 O ATOM 0 H SER A 125 10.394 7.461 16.250 1.00 37.19 H new ATOM 0 HA SER A 125 10.745 6.336 18.544 1.00 37.37 H new ATOM 0 HB2 SER A 125 12.119 5.758 16.757 1.00 38.73 H new ATOM 0 HB3 SER A 125 12.782 7.169 16.784 1.00 38.73 H new ATOM 0 HG SER A 125 13.747 6.689 18.586 1.00 44.75 H new ATOM 1004 N TYR A 126 11.772 9.379 18.427 1.00 37.53 N ATOM 1005 CA TYR A 126 12.104 10.549 19.221 1.00 36.61 C ATOM 1006 C TYR A 126 11.036 10.901 20.251 1.00 34.68 C ATOM 1007 O TYR A 126 11.347 11.123 21.421 1.00 36.04 O ATOM 1008 CB TYR A 126 12.343 11.755 18.296 1.00 36.77 C ATOM 1009 CG TYR A 126 12.511 13.068 19.002 1.00 36.25 C ATOM 1010 CD1 TYR A 126 13.484 13.234 19.999 1.00 37.96 C ATOM 1011 CD2 TYR A 126 11.683 14.161 18.700 1.00 40.77 C ATOM 1012 CE1 TYR A 126 13.612 14.471 20.685 1.00 40.14 C ATOM 1013 CE2 TYR A 126 11.828 15.394 19.360 1.00 42.10 C ATOM 1014 CZ TYR A 126 12.773 15.542 20.345 1.00 38.33 C ATOM 1015 OH TYR A 126 12.923 16.750 20.993 1.00 40.83 O ATOM 0 H TYR A 126 11.766 9.521 17.579 1.00 37.53 H new ATOM 0 HA TYR A 126 12.911 10.331 19.714 1.00 36.61 H new ATOM 0 HB2 TYR A 126 13.136 11.585 17.763 1.00 36.77 H new ATOM 0 HB3 TYR A 126 11.597 11.827 17.680 1.00 36.77 H new ATOM 0 HD1 TYR A 126 14.050 12.528 20.213 1.00 37.96 H new ATOM 0 HD2 TYR A 126 11.025 14.067 18.050 1.00 40.77 H new ATOM 0 HE1 TYR A 126 14.249 14.570 21.356 1.00 40.14 H new ATOM 0 HE2 TYR A 126 11.283 16.111 19.129 1.00 42.10 H new ATOM 0 HH TYR A 126 12.663 17.371 20.491 1.00 40.83 H new ATOM 1016 N ILE A 127 9.795 10.991 19.792 1.00 35.91 N ATOM 1017 CA ILE A 127 8.678 11.353 20.676 1.00 37.00 C ATOM 1018 C ILE A 127 8.524 10.314 21.798 1.00 36.86 C ATOM 1019 O ILE A 127 8.355 10.684 22.969 1.00 35.62 O ATOM 1020 CB ILE A 127 7.368 11.491 19.872 1.00 38.38 C ATOM 1021 CG1 ILE A 127 7.436 12.780 19.029 1.00 42.97 C ATOM 1022 CG2 ILE A 127 6.136 11.496 20.789 1.00 38.62 C ATOM 1023 CD1 ILE A 127 6.298 12.845 18.034 1.00 51.30 C ATOM 0 H ILE A 127 9.572 10.848 18.974 1.00 35.91 H new ATOM 0 HA ILE A 127 8.873 12.213 21.081 1.00 37.00 H new ATOM 0 HB ILE A 127 7.275 10.723 19.287 1.00 38.38 H new ATOM 0 HG12 ILE A 127 7.402 13.554 19.613 1.00 42.97 H new ATOM 0 HG13 ILE A 127 8.283 12.817 18.558 1.00 42.97 H new ATOM 0 HG21 ILE A 127 5.333 11.584 20.252 1.00 38.62 H new ATOM 0 HG22 ILE A 127 6.101 10.665 21.289 1.00 38.62 H new ATOM 0 HG23 ILE A 127 6.195 12.242 21.406 1.00 38.62 H new ATOM 0 HD11 ILE A 127 6.365 13.664 17.518 1.00 51.30 H new ATOM 0 HD12 ILE A 127 6.346 12.082 17.437 1.00 51.30 H new ATOM 0 HD13 ILE A 127 5.452 12.830 18.508 1.00 51.30 H new ATOM 1024 N ASP A 128 8.647 9.041 21.417 1.00 36.93 N ATOM 1025 CA ASP A 128 8.563 7.940 22.382 1.00 35.68 C ATOM 1026 C ASP A 128 9.718 7.971 23.387 1.00 35.11 C ATOM 1027 O ASP A 128 9.504 7.781 24.586 1.00 35.42 O ATOM 1028 CB ASP A 128 8.524 6.594 21.704 1.00 36.50 C ATOM 1029 CG ASP A 128 8.147 5.496 22.689 1.00 39.61 C ATOM 1030 OD1 ASP A 128 7.027 5.566 23.169 1.00 43.27 O ATOM 1031 OD2 ASP A 128 8.981 4.668 23.056 1.00 43.59 O ATOM 0 H ASP A 128 8.780 8.793 20.604 1.00 36.93 H new ATOM 0 HA ASP A 128 7.729 8.069 22.861 1.00 35.68 H new ATOM 0 HB2 ASP A 128 7.883 6.614 20.976 1.00 36.50 H new ATOM 0 HB3 ASP A 128 9.391 6.399 21.314 1.00 36.50 H new ATOM 1032 N LEU A 129 10.937 8.226 22.893 1.00 34.52 N ATOM 1033 CA LEU A 129 12.104 8.303 23.750 1.00 35.79 C ATOM 1034 C LEU A 129 11.977 9.489 24.710 1.00 34.86 C ATOM 1035 O LEU A 129 12.338 9.380 25.872 1.00 36.76 O ATOM 1036 CB LEU A 129 13.392 8.412 22.930 1.00 34.07 C ATOM 1037 CG LEU A 129 14.711 8.326 23.707 1.00 40.59 C ATOM 1038 CD1 LEU A 129 14.858 6.974 24.470 1.00 39.76 C ATOM 1039 CD2 LEU A 129 15.835 8.551 22.739 1.00 41.21 C ATOM 0 H LEU A 129 11.099 8.357 22.059 1.00 34.52 H new ATOM 0 HA LEU A 129 12.152 7.483 24.267 1.00 35.79 H new ATOM 0 HB2 LEU A 129 13.387 7.708 22.263 1.00 34.07 H new ATOM 0 HB3 LEU A 129 13.376 9.256 22.452 1.00 34.07 H new ATOM 0 HG LEU A 129 14.728 9.011 24.394 1.00 40.59 H new ATOM 0 HD11 LEU A 129 15.703 6.961 24.946 1.00 39.76 H new ATOM 0 HD12 LEU A 129 14.129 6.878 25.103 1.00 39.76 H new ATOM 0 HD13 LEU A 129 14.834 6.240 23.836 1.00 39.76 H new ATOM 0 HD21 LEU A 129 16.682 8.501 23.209 1.00 41.21 H new ATOM 0 HD22 LEU A 129 15.808 7.871 22.048 1.00 41.21 H new ATOM 0 HD23 LEU A 129 15.742 9.427 22.333 1.00 41.21 H new ATOM 1040 N ALA A 130 11.461 10.616 24.214 1.00 35.71 N ATOM 1041 CA ALA A 130 11.247 11.806 25.035 1.00 33.75 C ATOM 1042 C ALA A 130 10.354 11.484 26.207 1.00 33.90 C ATOM 1043 O ALA A 130 10.659 11.840 27.358 1.00 34.29 O ATOM 1044 CB ALA A 130 10.682 13.003 24.177 1.00 34.95 C ATOM 0 H ALA A 130 11.226 10.710 23.392 1.00 35.71 H new ATOM 0 HA ALA A 130 12.105 12.093 25.386 1.00 33.75 H new ATOM 0 HB1 ALA A 130 10.551 13.776 24.747 1.00 34.95 H new ATOM 0 HB2 ALA A 130 11.313 13.224 23.474 1.00 34.95 H new ATOM 0 HB3 ALA A 130 9.835 12.746 23.781 1.00 34.95 H new ATOM 1045 N ASP A 131 9.251 10.789 25.928 1.00 35.83 N ATOM 1046 CA ASP A 131 8.331 10.350 26.985 1.00 37.47 C ATOM 1047 C ASP A 131 8.971 9.392 27.974 1.00 37.51 C ATOM 1048 O ASP A 131 8.703 9.485 29.176 1.00 36.22 O ATOM 1049 CB ASP A 131 7.043 9.760 26.397 1.00 37.86 C ATOM 1050 CG ASP A 131 6.110 10.815 25.846 1.00 45.51 C ATOM 1051 OD1 ASP A 131 6.374 12.028 25.985 1.00 43.95 O ATOM 1052 OD2 ASP A 131 5.087 10.407 25.268 1.00 46.21 O ATOM 0 H ASP A 131 9.015 10.560 25.133 1.00 35.83 H new ATOM 0 HA ASP A 131 8.099 11.147 27.487 1.00 37.47 H new ATOM 0 HB2 ASP A 131 7.272 9.136 25.690 1.00 37.86 H new ATOM 0 HB3 ASP A 131 6.582 9.254 27.084 1.00 37.86 H new ATOM 1053 N HIS A 132 9.840 8.507 27.468 1.00 37.74 N ATOM 1054 CA HIS A 132 10.567 7.578 28.322 1.00 38.00 C ATOM 1055 C HIS A 132 11.450 8.341 29.326 1.00 38.32 C ATOM 1056 O HIS A 132 11.380 8.092 30.540 1.00 37.57 O ATOM 1057 CB HIS A 132 11.392 6.589 27.509 1.00 37.15 C ATOM 1058 CG HIS A 132 12.221 5.690 28.361 1.00 37.87 C ATOM 1059 ND1 HIS A 132 11.670 4.690 29.135 1.00 34.65 N ATOM 1060 CD2 HIS A 132 13.546 5.679 28.611 1.00 37.72 C ATOM 1061 CE1 HIS A 132 12.631 4.084 29.804 1.00 38.39 C ATOM 1062 NE2 HIS A 132 13.779 4.658 29.499 1.00 35.39 N ATOM 0 H HIS A 132 10.018 8.434 26.630 1.00 37.74 H new ATOM 0 HA HIS A 132 9.912 7.063 28.819 1.00 38.00 H new ATOM 0 HB2 HIS A 132 10.798 6.052 26.962 1.00 37.15 H new ATOM 0 HB3 HIS A 132 11.971 7.078 26.903 1.00 37.15 H new ATOM 0 HD2 HIS A 132 14.182 6.254 28.250 1.00 37.72 H new ATOM 0 HE1 HIS A 132 12.519 3.372 30.392 1.00 38.39 H new ATOM 0 HE2 HIS A 132 14.549 4.430 29.807 1.00 35.39 H new ATOM 1063 N TYR A 133 12.218 9.299 28.813 1.00 37.75 N ATOM 1064 CA TYR A 133 13.067 10.144 29.654 1.00 37.47 C ATOM 1065 C TYR A 133 12.269 11.030 30.612 1.00 36.09 C ATOM 1066 O TYR A 133 12.673 11.182 31.752 1.00 35.75 O ATOM 1067 CB TYR A 133 14.055 10.961 28.821 1.00 38.42 C ATOM 1068 CG TYR A 133 15.103 10.139 28.084 1.00 38.42 C ATOM 1069 CD1 TYR A 133 15.693 8.990 28.667 1.00 42.81 C ATOM 1070 CD2 TYR A 133 15.626 10.584 26.872 1.00 39.65 C ATOM 1071 CE1 TYR A 133 16.672 8.264 28.015 1.00 41.46 C ATOM 1072 CE2 TYR A 133 16.646 9.871 26.224 1.00 39.06 C ATOM 1073 CZ TYR A 133 17.147 8.707 26.807 1.00 43.62 C ATOM 1074 OH TYR A 133 18.139 8.007 26.206 1.00 40.80 O ATOM 0 H TYR A 133 12.263 9.478 27.973 1.00 37.75 H new ATOM 0 HA TYR A 133 13.581 9.539 30.211 1.00 37.47 H new ATOM 0 HB2 TYR A 133 13.557 11.483 28.173 1.00 38.42 H new ATOM 0 HB3 TYR A 133 14.507 11.590 29.404 1.00 38.42 H new ATOM 0 HD1 TYR A 133 15.414 8.717 29.511 1.00 42.81 H new ATOM 0 HD2 TYR A 133 15.295 11.363 26.488 1.00 39.65 H new ATOM 0 HE1 TYR A 133 17.006 7.482 28.392 1.00 41.46 H new ATOM 0 HE2 TYR A 133 16.985 10.172 25.412 1.00 39.06 H new ATOM 0 HH TYR A 133 18.504 8.485 25.620 1.00 40.80 H new ATOM 1075 N LEU A 134 11.135 11.574 30.168 1.00 37.52 N ATOM 1076 CA LEU A 134 10.262 12.362 31.053 1.00 35.72 C ATOM 1077 C LEU A 134 9.765 11.460 32.195 1.00 34.17 C ATOM 1078 O LEU A 134 9.738 11.871 33.358 1.00 36.15 O ATOM 1079 CB LEU A 134 9.107 13.010 30.274 1.00 36.29 C ATOM 1080 CG LEU A 134 8.166 13.906 31.115 1.00 36.60 C ATOM 1081 CD1 LEU A 134 8.927 15.018 31.909 1.00 35.04 C ATOM 1082 CD2 LEU A 134 7.056 14.534 30.252 1.00 36.58 C ATOM 0 H LEU A 134 10.850 11.501 29.360 1.00 37.52 H new ATOM 0 HA LEU A 134 10.767 13.096 31.436 1.00 35.72 H new ATOM 0 HB2 LEU A 134 9.480 13.543 29.555 1.00 36.29 H new ATOM 0 HB3 LEU A 134 8.579 12.308 29.863 1.00 36.29 H new ATOM 0 HG LEU A 134 7.757 13.315 31.767 1.00 36.60 H new ATOM 0 HD11 LEU A 134 8.291 15.547 32.416 1.00 35.04 H new ATOM 0 HD12 LEU A 134 9.561 14.606 32.517 1.00 35.04 H new ATOM 0 HD13 LEU A 134 9.402 15.592 31.288 1.00 35.04 H new ATOM 0 HD21 LEU A 134 6.487 15.087 30.809 1.00 36.58 H new ATOM 0 HD22 LEU A 134 7.456 15.080 29.557 1.00 36.58 H new ATOM 0 HD23 LEU A 134 6.525 13.831 29.846 1.00 36.58 H new ATOM 1083 N GLY A 135 9.410 10.221 31.872 1.00 36.17 N ATOM 1084 CA GLY A 135 9.014 9.221 32.887 1.00 36.47 C ATOM 1085 C GLY A 135 10.074 8.952 33.945 1.00 37.49 C ATOM 1086 O GLY A 135 9.740 8.789 35.138 1.00 36.11 O ATOM 0 H GLY A 135 9.389 9.928 31.064 1.00 36.17 H new ATOM 0 HA2 GLY A 135 8.203 9.524 33.325 1.00 36.47 H new ATOM 0 HA3 GLY A 135 8.800 8.388 32.439 1.00 36.47 H new ATOM 1087 N GLU A 136 11.342 8.901 33.522 1.00 37.52 N ATOM 1088 CA GLU A 136 12.470 8.712 34.453 1.00 38.23 C ATOM 1089 C GLU A 136 12.544 9.873 35.440 1.00 37.34 C ATOM 1090 O GLU A 136 12.768 9.659 36.619 1.00 35.71 O ATOM 1091 CB GLU A 136 13.821 8.619 33.737 1.00 38.35 C ATOM 1092 CG GLU A 136 14.004 7.464 32.773 1.00 40.61 C ATOM 1093 CD GLU A 136 13.895 6.125 33.449 1.00 41.39 C ATOM 1094 OE1 GLU A 136 14.633 5.901 34.432 1.00 41.71 O ATOM 1095 OE2 GLU A 136 13.085 5.297 32.978 1.00 41.89 O ATOM 0 H GLU A 136 11.574 8.974 32.697 1.00 37.52 H new ATOM 0 HA GLU A 136 12.302 7.873 34.910 1.00 38.23 H new ATOM 0 HB2 GLU A 136 13.962 9.445 33.249 1.00 38.35 H new ATOM 0 HB3 GLU A 136 14.517 8.564 34.410 1.00 38.35 H new ATOM 0 HG2 GLU A 136 13.337 7.524 32.071 1.00 40.61 H new ATOM 0 HG3 GLU A 136 14.872 7.538 32.346 1.00 40.61 H new ATOM 1096 N ILE A 137 12.337 11.092 34.946 1.00 37.71 N ATOM 1097 CA ILE A 137 12.343 12.280 35.815 1.00 36.89 C ATOM 1098 C ILE A 137 11.179 12.217 36.806 1.00 35.77 C ATOM 1099 O ILE A 137 11.378 12.413 38.018 1.00 36.28 O ATOM 1100 CB ILE A 137 12.322 13.587 34.997 1.00 37.04 C ATOM 1101 CG1 ILE A 137 13.576 13.735 34.146 1.00 36.61 C ATOM 1102 CG2 ILE A 137 12.174 14.826 35.917 1.00 36.87 C ATOM 1103 CD1 ILE A 137 13.457 14.887 33.113 1.00 36.22 C ATOM 0 H ILE A 137 12.191 11.258 34.115 1.00 37.71 H new ATOM 0 HA ILE A 137 13.172 12.281 36.319 1.00 36.89 H new ATOM 0 HB ILE A 137 11.551 13.536 34.410 1.00 37.04 H new ATOM 0 HG12 ILE A 137 14.338 13.899 34.723 1.00 36.61 H new ATOM 0 HG13 ILE A 137 13.747 12.902 33.680 1.00 36.61 H new ATOM 0 HG21 ILE A 137 12.164 15.631 35.376 1.00 36.87 H new ATOM 0 HG22 ILE A 137 11.345 14.762 36.416 1.00 36.87 H new ATOM 0 HG23 ILE A 137 12.921 14.861 36.535 1.00 36.87 H new ATOM 0 HD11 ILE A 137 14.276 14.944 32.596 1.00 36.22 H new ATOM 0 HD12 ILE A 137 12.711 14.713 32.518 1.00 36.22 H new ATOM 0 HD13 ILE A 137 13.310 15.725 33.578 1.00 36.22 H new ATOM 1104 N ILE A 138 9.982 11.945 36.290 1.00 37.95 N ATOM 1105 CA ILE A 138 8.755 11.849 37.096 1.00 36.81 C ATOM 1106 C ILE A 138 8.879 10.758 38.174 1.00 38.15 C ATOM 1107 O ILE A 138 8.467 10.979 39.318 1.00 36.80 O ATOM 1108 CB ILE A 138 7.496 11.665 36.204 1.00 36.60 C ATOM 1109 CG1 ILE A 138 7.245 12.958 35.394 1.00 38.06 C ATOM 1110 CG2 ILE A 138 6.234 11.277 37.051 1.00 34.38 C ATOM 1111 CD1 ILE A 138 6.195 12.800 34.295 1.00 35.52 C ATOM 0 H ILE A 138 9.853 11.808 35.451 1.00 37.95 H new ATOM 0 HA ILE A 138 8.640 12.692 37.562 1.00 36.81 H new ATOM 0 HB ILE A 138 7.659 10.931 35.591 1.00 36.60 H new ATOM 0 HG12 ILE A 138 6.964 13.661 36.001 1.00 38.06 H new ATOM 0 HG13 ILE A 138 8.080 13.247 34.994 1.00 38.06 H new ATOM 0 HG21 ILE A 138 5.470 11.171 36.463 1.00 34.38 H new ATOM 0 HG22 ILE A 138 6.401 10.443 37.518 1.00 34.38 H new ATOM 0 HG23 ILE A 138 6.050 11.977 37.697 1.00 34.38 H new ATOM 0 HD11 ILE A 138 6.086 13.643 33.828 1.00 35.52 H new ATOM 0 HD12 ILE A 138 6.483 12.118 33.668 1.00 35.52 H new ATOM 0 HD13 ILE A 138 5.349 12.539 34.691 1.00 35.52 H new ATOM 1112 N GLY A 139 9.440 9.597 37.806 1.00 35.33 N ATOM 1113 CA GLY A 139 9.669 8.507 38.756 1.00 37.16 C ATOM 1114 C GLY A 139 10.532 8.916 39.942 1.00 38.42 C ATOM 1115 O GLY A 139 10.208 8.579 41.094 1.00 39.15 O ATOM 0 H GLY A 139 9.695 9.424 37.003 1.00 35.33 H new ATOM 0 HA2 GLY A 139 8.814 8.185 39.082 1.00 37.16 H new ATOM 0 HA3 GLY A 139 10.094 7.767 38.294 1.00 37.16 H new ATOM 1116 N GLU A 140 11.614 9.653 39.675 1.00 37.80 N ATOM 1117 CA GLU A 140 12.486 10.141 40.758 1.00 41.26 C ATOM 1118 C GLU A 140 11.755 11.177 41.598 1.00 39.92 C ATOM 1119 O GLU A 140 11.853 11.126 42.830 1.00 38.76 O ATOM 1120 CB GLU A 140 13.827 10.699 40.260 1.00 41.80 C ATOM 1121 CG GLU A 140 14.809 10.937 41.424 1.00 43.50 C ATOM 1122 CD GLU A 140 16.130 11.614 41.035 1.00 47.21 C ATOM 1123 OE1 GLU A 140 16.438 11.714 39.838 1.00 55.43 O ATOM 1124 OE2 GLU A 140 16.860 12.057 41.956 1.00 52.52 O ATOM 0 H GLU A 140 11.861 9.881 38.884 1.00 37.80 H new ATOM 0 HA GLU A 140 12.701 9.370 41.306 1.00 41.26 H new ATOM 0 HB2 GLU A 140 14.220 10.080 39.625 1.00 41.80 H new ATOM 0 HB3 GLU A 140 13.676 11.532 39.787 1.00 41.80 H new ATOM 0 HG2 GLU A 140 14.368 11.482 42.094 1.00 43.50 H new ATOM 0 HG3 GLU A 140 15.009 10.084 41.839 1.00 43.50 H new ATOM 1125 N ALA A 141 11.060 12.119 40.942 1.00 38.28 N ATOM 1126 CA ALA A 141 10.232 13.128 41.618 1.00 40.81 C ATOM 1127 C ALA A 141 9.231 12.491 42.576 1.00 39.46 C ATOM 1128 O ALA A 141 9.068 12.975 43.717 1.00 37.71 O ATOM 1129 CB ALA A 141 9.490 14.013 40.604 1.00 37.40 C ATOM 0 H ALA A 141 11.057 12.189 40.085 1.00 38.28 H new ATOM 0 HA ALA A 141 10.837 13.683 42.134 1.00 40.81 H new ATOM 0 HB1 ALA A 141 8.953 14.668 41.077 1.00 37.40 H new ATOM 0 HB2 ALA A 141 10.134 14.470 40.041 1.00 37.40 H new ATOM 0 HB3 ALA A 141 8.914 13.461 40.053 1.00 37.40 H new HETATM 1130 N MSE A 142 8.609 11.388 42.128 1.00 39.06 N HETATM 1131 CA MSE A 142 7.661 10.645 42.957 1.00 41.18 C HETATM 1132 C MSE A 142 8.285 10.013 44.191 1.00 39.43 C HETATM 1133 O MSE A 142 7.661 10.026 45.257 1.00 40.60 O HETATM 1134 CB MSE A 142 6.874 9.614 42.166 1.00 41.14 C HETATM 1135 CG MSE A 142 5.850 10.219 41.265 1.00 40.95 C HETATM 1136 SE MSE A 142 5.016 8.784 40.257 0.75 43.04 SE HETATM 1137 CE MSE A 142 3.709 9.906 39.374 1.00 36.97 C HETATM 0 H MSE A 142 8.727 11.057 41.343 1.00 39.06 H new HETATM 0 HA MSE A 142 7.039 11.319 43.274 1.00 41.18 H new HETATM 0 HB2 MSE A 142 7.489 9.083 41.636 1.00 41.14 H new HETATM 0 HB3 MSE A 142 6.435 9.008 42.783 1.00 41.14 H new HETATM 0 HG2 MSE A 142 5.186 10.701 41.782 1.00 40.95 H new HETATM 0 HG3 MSE A 142 6.262 10.860 40.665 1.00 40.95 H new HETATM 0 HE1 MSE A 142 3.157 9.362 38.791 1.00 36.97 H new HETATM 0 HE2 MSE A 142 3.150 10.336 40.039 1.00 36.97 H new HETATM 0 HE3 MSE A 142 4.165 10.582 38.849 1.00 36.97 H new ATOM 1138 N SER A 143 9.504 9.495 44.075 1.00 40.98 N ATOM 1139 CA SER A 143 10.210 8.971 45.257 1.00 41.36 C ATOM 1140 C SER A 143 10.507 10.097 46.277 1.00 42.06 C ATOM 1141 O SER A 143 10.634 9.825 47.472 1.00 41.46 O ATOM 1142 CB SER A 143 11.494 8.240 44.860 1.00 41.31 C ATOM 1143 OG SER A 143 12.444 9.168 44.405 1.00 48.82 O ATOM 0 H SER A 143 9.940 9.435 43.336 1.00 40.98 H new ATOM 0 HA SER A 143 9.624 8.328 45.685 1.00 41.36 H new ATOM 0 HB2 SER A 143 11.846 7.750 45.619 1.00 41.31 H new ATOM 0 HB3 SER A 143 11.305 7.590 44.165 1.00 41.31 H new ATOM 0 HG SER A 143 12.118 9.616 43.773 1.00 48.82 H new ATOM 1144 N ASP A 144 10.621 11.343 45.798 1.00 41.81 N ATOM 1145 CA ASP A 144 10.787 12.525 46.654 1.00 43.47 C ATOM 1146 C ASP A 144 9.468 13.072 47.211 1.00 43.81 C ATOM 1147 O ASP A 144 9.505 14.018 47.992 1.00 46.64 O ATOM 1148 CB ASP A 144 11.515 13.655 45.909 1.00 44.42 C ATOM 1149 CG ASP A 144 12.904 13.271 45.446 1.00 47.23 C ATOM 1150 OD1 ASP A 144 13.512 12.309 45.974 1.00 54.22 O ATOM 1151 OD2 ASP A 144 13.390 13.955 44.530 1.00 47.93 O ATOM 0 H ASP A 144 10.604 11.526 44.958 1.00 41.81 H new ATOM 0 HA ASP A 144 11.320 12.219 47.404 1.00 43.47 H new ATOM 0 HB2 ASP A 144 10.986 13.920 45.140 1.00 44.42 H new ATOM 0 HB3 ASP A 144 11.577 14.429 46.490 1.00 44.42 H new ATOM 1152 N GLY A 145 8.321 12.505 46.825 1.00 42.10 N ATOM 1153 CA GLY A 145 7.003 12.914 47.312 1.00 41.67 C ATOM 1154 C GLY A 145 6.137 13.768 46.409 1.00 43.69 C ATOM 1155 O GLY A 145 5.028 14.120 46.787 1.00 46.33 O ATOM 0 H GLY A 145 8.289 11.857 46.260 1.00 42.10 H new ATOM 0 HA2 GLY A 145 6.504 12.110 47.526 1.00 41.67 H new ATOM 0 HA3 GLY A 145 7.132 13.398 48.143 1.00 41.67 H new ATOM 1156 N ALA A 146 6.613 14.082 45.203 1.00 43.88 N ATOM 1157 CA ALA A 146 5.837 14.868 44.238 1.00 41.82 C ATOM 1158 C ALA A 146 4.798 13.953 43.557 1.00 40.93 C ATOM 1159 O ALA A 146 4.925 12.711 43.564 1.00 38.38 O ATOM 1160 CB ALA A 146 6.768 15.500 43.184 1.00 41.66 C ATOM 0 H ALA A 146 7.391 13.847 44.921 1.00 43.88 H new ATOM 0 HA ALA A 146 5.379 15.585 44.704 1.00 41.82 H new ATOM 0 HB1 ALA A 146 6.241 16.016 42.554 1.00 41.66 H new ATOM 0 HB2 ALA A 146 7.407 16.083 43.624 1.00 41.66 H new ATOM 0 HB3 ALA A 146 7.243 14.800 42.710 1.00 41.66 H new ATOM 1161 N PHE A 147 3.768 14.576 42.997 1.00 40.00 N ATOM 1162 CA PHE A 147 2.716 13.902 42.192 1.00 40.36 C ATOM 1163 C PHE A 147 2.015 12.767 42.929 1.00 40.28 C ATOM 1164 O PHE A 147 1.753 11.711 42.344 1.00 39.47 O ATOM 1165 CB PHE A 147 3.315 13.384 40.867 1.00 38.72 C ATOM 1166 CG PHE A 147 4.203 14.384 40.170 1.00 38.38 C ATOM 1167 CD1 PHE A 147 3.724 15.640 39.829 1.00 40.72 C ATOM 1168 CD2 PHE A 147 5.516 14.055 39.840 1.00 37.38 C ATOM 1169 CE1 PHE A 147 4.544 16.579 39.198 1.00 39.43 C ATOM 1170 CE2 PHE A 147 6.354 14.984 39.210 1.00 39.82 C ATOM 1171 CZ PHE A 147 5.866 16.246 38.881 1.00 39.49 C ATOM 0 H PHE A 147 3.646 15.424 43.069 1.00 40.00 H new ATOM 0 HA PHE A 147 2.037 14.571 42.014 1.00 40.36 H new ATOM 0 HB2 PHE A 147 3.826 12.579 41.045 1.00 38.72 H new ATOM 0 HB3 PHE A 147 2.592 13.135 40.270 1.00 38.72 H new ATOM 0 HD1 PHE A 147 2.842 15.861 40.024 1.00 40.72 H new ATOM 0 HD2 PHE A 147 5.841 13.207 40.041 1.00 37.38 H new ATOM 0 HE1 PHE A 147 4.212 17.422 38.989 1.00 39.43 H new ATOM 0 HE2 PHE A 147 7.234 14.758 39.012 1.00 39.82 H new ATOM 0 HZ PHE A 147 6.415 16.863 38.454 1.00 39.49 H new ATOM 1172 N SER A 148 1.721 13.008 44.212 1.00 40.41 N ATOM 1173 CA ASER A 148 1.114 12.002 45.073 0.50 40.57 C ATOM 1174 CA BSER A 148 1.123 11.990 45.067 0.50 41.24 C ATOM 1175 C SER A 148 -0.194 11.462 44.503 1.00 40.25 C ATOM 1176 O SER A 148 -1.073 12.240 44.092 1.00 41.04 O ATOM 1177 CB ASER A 148 0.877 12.565 46.484 0.50 41.43 C ATOM 1178 CB BSER A 148 0.922 12.526 46.493 0.50 42.28 C ATOM 1179 OG ASER A 148 0.344 11.567 47.333 0.50 42.72 O ATOM 1180 OG BSER A 148 0.073 13.649 46.481 0.50 48.24 O ATOM 0 H ASER A 148 1.870 13.760 44.602 0.50 40.41 H new ATOM 0 H BSER A 148 1.863 13.761 44.603 0.50 40.41 H new ATOM 0 HA ASER A 148 1.740 11.263 45.122 0.50 41.24 H new ATOM 0 HA BSER A 148 1.743 11.244 45.097 0.50 41.24 H new ATOM 0 HB2ASER A 148 1.712 12.897 46.850 0.50 42.28 H new ATOM 0 HB2BSER A 148 0.542 11.832 47.055 0.50 42.28 H new ATOM 0 HB3ASER A 148 0.268 13.318 46.439 0.50 42.28 H new ATOM 0 HB3BSER A 148 1.779 12.766 46.878 0.50 42.28 H new ATOM 0 HG ASER A 148 0.221 11.887 48.100 0.50 48.24 H new ATOM 0 HG BSER A 148 -0.030 13.931 47.265 0.50 48.24 H new ATOM 1181 N GLY A 149 -0.316 10.138 44.457 1.00 39.24 N ATOM 1182 CA GLY A 149 -1.533 9.499 43.969 1.00 38.37 C ATOM 1183 C GLY A 149 -1.623 9.258 42.483 1.00 40.11 C ATOM 1184 O GLY A 149 -2.491 8.508 42.054 1.00 40.79 O ATOM 0 H GLY A 149 0.298 9.590 44.705 1.00 39.24 H new ATOM 0 HA2 GLY A 149 -1.629 8.646 44.420 1.00 38.37 H new ATOM 0 HA3 GLY A 149 -2.289 10.046 44.233 1.00 38.37 H new ATOM 1185 N LEU A 150 -0.738 9.873 41.694 1.00 40.46 N ATOM 1186 CA LEU A 150 -0.749 9.724 40.232 1.00 40.66 C ATOM 1187 C LEU A 150 0.194 8.602 39.788 1.00 41.04 C ATOM 1188 O LEU A 150 1.150 8.314 40.480 1.00 40.69 O ATOM 1189 CB LEU A 150 -0.288 11.032 39.571 1.00 39.76 C ATOM 1190 CG LEU A 150 -1.192 12.246 39.791 1.00 42.99 C ATOM 1191 CD1 LEU A 150 -0.531 13.516 39.278 1.00 40.16 C ATOM 1192 CD2 LEU A 150 -2.561 12.014 39.142 1.00 38.14 C ATOM 0 H LEU A 150 -0.115 10.387 41.989 1.00 40.46 H new ATOM 0 HA LEU A 150 -1.655 9.508 39.962 1.00 40.66 H new ATOM 0 HB2 LEU A 150 0.598 11.246 39.902 1.00 39.76 H new ATOM 0 HB3 LEU A 150 -0.206 10.880 38.616 1.00 39.76 H new ATOM 0 HG LEU A 150 -1.332 12.362 40.744 1.00 42.99 H new ATOM 0 HD11 LEU A 150 -1.121 14.271 39.428 1.00 40.16 H new ATOM 0 HD12 LEU A 150 0.304 13.660 39.750 1.00 40.16 H new ATOM 0 HD13 LEU A 150 -0.354 13.428 38.328 1.00 40.16 H new ATOM 0 HD21 LEU A 150 -3.124 12.790 39.288 1.00 38.14 H new ATOM 0 HD22 LEU A 150 -2.448 11.872 38.189 1.00 38.14 H new ATOM 0 HD23 LEU A 150 -2.978 11.233 39.537 1.00 38.14 H new ATOM 1193 N GLU A 151 -0.131 7.966 38.658 1.00 39.53 N ATOM 1194 CA GLU A 151 0.748 6.990 37.996 1.00 39.34 C ATOM 1195 C GLU A 151 1.715 7.790 37.118 1.00 39.85 C ATOM 1196 O GLU A 151 1.429 8.949 36.736 1.00 39.03 O ATOM 1197 CB GLU A 151 -0.078 6.023 37.136 1.00 40.43 C ATOM 1198 CG GLU A 151 -1.108 5.168 37.928 1.00 44.97 C ATOM 1199 CD GLU A 151 -0.467 4.263 38.999 1.00 57.69 C ATOM 1200 OE1 GLU A 151 0.683 3.792 38.813 1.00 56.45 O ATOM 1201 OE2 GLU A 151 -1.122 4.017 40.033 1.00 66.80 O ATOM 0 H GLU A 151 -0.877 8.090 38.248 1.00 39.53 H new ATOM 0 HA GLU A 151 1.230 6.459 38.649 1.00 39.34 H new ATOM 0 HB2 GLU A 151 -0.551 6.534 36.460 1.00 40.43 H new ATOM 0 HB3 GLU A 151 0.528 5.427 36.669 1.00 40.43 H new ATOM 0 HG2 GLU A 151 -1.747 5.759 38.356 1.00 44.97 H new ATOM 0 HG3 GLU A 151 -1.606 4.616 37.305 1.00 44.97 H new ATOM 1202 N VAL A 152 2.857 7.188 36.780 1.00 39.95 N ATOM 1203 CA VAL A 152 3.866 7.868 35.932 1.00 38.78 C ATOM 1204 C VAL A 152 3.295 8.179 34.539 1.00 39.80 C ATOM 1205 O VAL A 152 3.459 9.315 34.062 1.00 38.03 O ATOM 1206 CB VAL A 152 5.174 7.042 35.805 1.00 40.60 C ATOM 1207 CG1 VAL A 152 6.168 7.678 34.807 1.00 37.84 C ATOM 1208 CG2 VAL A 152 5.822 6.862 37.176 1.00 38.53 C ATOM 0 H VAL A 152 3.074 6.393 37.025 1.00 39.95 H new ATOM 0 HA VAL A 152 4.087 8.703 36.373 1.00 38.78 H new ATOM 0 HB VAL A 152 4.937 6.170 35.452 1.00 40.60 H new ATOM 0 HG11 VAL A 152 6.969 7.134 34.757 1.00 37.84 H new ATOM 0 HG12 VAL A 152 5.757 7.730 33.930 1.00 37.84 H new ATOM 0 HG13 VAL A 152 6.402 8.570 35.107 1.00 37.84 H new ATOM 0 HG21 VAL A 152 6.637 6.345 37.083 1.00 38.53 H new ATOM 0 HG22 VAL A 152 6.032 7.731 37.552 1.00 38.53 H new ATOM 0 HG23 VAL A 152 5.209 6.395 37.765 1.00 38.53 H new ATOM 1209 N ASP A 153 2.602 7.213 33.923 1.00 42.25 N ATOM 1210 CA AASP A 153 2.012 7.397 32.581 0.50 42.10 C ATOM 1211 CA BASP A 153 2.053 7.432 32.571 0.50 42.19 C ATOM 1212 C ASP A 153 1.054 8.593 32.508 1.00 40.08 C ATOM 1213 O ASP A 153 1.154 9.412 31.603 1.00 40.54 O ATOM 1214 CB AASP A 153 1.365 6.101 32.007 0.50 42.92 C ATOM 1215 CB BASP A 153 1.479 6.141 31.956 0.50 43.34 C ATOM 1216 CG AASP A 153 0.137 5.576 32.794 0.50 46.25 C ATOM 1217 CG BASP A 153 2.578 5.169 31.464 0.50 46.46 C ATOM 1218 OD1AASP A 153 -0.210 6.040 33.903 0.50 46.42 O ATOM 1219 OD1BASP A 153 3.749 5.581 31.255 0.50 46.03 O ATOM 1220 OD2AASP A 153 -0.500 4.640 32.261 0.50 54.79 O ATOM 1221 OD2BASP A 153 2.256 3.980 31.257 0.50 53.65 O ATOM 0 H AASP A 153 2.460 6.437 34.266 0.50 42.25 H new ATOM 0 H BASP A 153 2.440 6.439 34.260 0.50 42.25 H new ATOM 0 HA AASP A 153 2.763 7.604 32.003 0.50 42.19 H new ATOM 0 HA BASP A 153 2.807 7.697 32.021 0.50 42.19 H new ATOM 0 HB2AASP A 153 1.097 6.269 31.090 0.50 43.34 H new ATOM 0 HB2BASP A 153 0.927 5.691 32.615 0.50 43.34 H new ATOM 0 HB3AASP A 153 2.038 5.403 31.982 0.50 43.34 H new ATOM 0 HB3BASP A 153 0.901 6.372 31.212 0.50 43.34 H new ATOM 1222 N GLU A 154 0.136 8.690 33.474 1.00 39.62 N ATOM 1223 CA GLU A 154 -0.816 9.821 33.466 1.00 40.64 C ATOM 1224 C GLU A 154 -0.108 11.139 33.743 1.00 40.02 C ATOM 1225 O GLU A 154 -0.517 12.165 33.180 1.00 39.64 O ATOM 1226 CB GLU A 154 -1.997 9.619 34.392 1.00 43.59 C ATOM 1227 CG GLU A 154 -1.710 9.669 35.838 1.00 49.37 C ATOM 1228 CD GLU A 154 -2.928 9.306 36.689 1.00 55.73 C ATOM 1229 OE1 GLU A 154 -4.064 9.761 36.423 1.00 49.83 O ATOM 1230 OE2 GLU A 154 -2.726 8.571 37.653 1.00 41.92 O ATOM 0 H GLU A 154 0.044 8.135 34.124 1.00 39.62 H new ATOM 0 HA GLU A 154 -1.185 9.857 32.570 1.00 40.64 H new ATOM 0 HB2 GLU A 154 -2.662 10.296 34.190 1.00 43.59 H new ATOM 0 HB3 GLU A 154 -2.398 8.759 34.191 1.00 43.59 H new ATOM 0 HG2 GLU A 154 -0.983 9.060 36.042 1.00 49.37 H new ATOM 0 HG3 GLU A 154 -1.408 10.560 36.074 1.00 49.37 H new ATOM 1231 N THR A 155 0.967 11.108 34.555 1.00 38.41 N ATOM 1232 CA THR A 155 1.742 12.319 34.848 1.00 38.60 C ATOM 1233 C THR A 155 2.509 12.786 33.601 1.00 37.61 C ATOM 1234 O THR A 155 2.562 13.989 33.315 1.00 35.55 O ATOM 1235 CB THR A 155 2.656 12.145 36.059 1.00 38.45 C ATOM 1236 OG1 THR A 155 1.866 11.667 37.153 1.00 40.81 O ATOM 1237 CG2 THR A 155 3.295 13.469 36.441 1.00 35.92 C ATOM 0 H THR A 155 1.258 10.397 34.941 1.00 38.41 H new ATOM 0 HA THR A 155 1.115 13.019 35.088 1.00 38.60 H new ATOM 0 HB THR A 155 3.361 11.515 35.844 1.00 38.45 H new ATOM 0 HG1 THR A 155 1.705 10.850 37.046 1.00 40.81 H new ATOM 0 HG21 THR A 155 3.871 13.340 37.211 1.00 35.92 H new ATOM 0 HG22 THR A 155 3.820 13.802 35.696 1.00 35.92 H new ATOM 0 HG23 THR A 155 2.602 14.112 36.660 1.00 35.92 H new ATOM 1238 N ILE A 156 3.089 11.844 32.860 1.00 36.95 N ATOM 1239 CA ILE A 156 3.752 12.171 31.591 1.00 36.58 C ATOM 1240 C ILE A 156 2.754 12.924 30.678 1.00 35.94 C ATOM 1241 O ILE A 156 3.111 13.943 30.092 1.00 36.83 O ATOM 1242 CB ILE A 156 4.284 10.918 30.833 1.00 38.33 C ATOM 1243 CG1 ILE A 156 5.460 10.259 31.587 1.00 36.13 C ATOM 1244 CG2 ILE A 156 4.749 11.295 29.394 1.00 36.49 C ATOM 1245 CD1 ILE A 156 5.850 8.819 31.057 1.00 36.56 C ATOM 0 H ILE A 156 3.112 11.011 33.071 1.00 36.95 H new ATOM 0 HA ILE A 156 4.521 12.722 31.807 1.00 36.58 H new ATOM 0 HB ILE A 156 3.551 10.285 30.781 1.00 38.33 H new ATOM 0 HG12 ILE A 156 6.236 10.837 31.522 1.00 36.13 H new ATOM 0 HG13 ILE A 156 5.232 10.195 32.528 1.00 36.13 H new ATOM 0 HG21 ILE A 156 5.076 10.502 28.941 1.00 36.49 H new ATOM 0 HG22 ILE A 156 4.002 11.665 28.899 1.00 36.49 H new ATOM 0 HG23 ILE A 156 5.460 11.953 29.445 1.00 36.49 H new ATOM 0 HD11 ILE A 156 6.592 8.473 31.577 1.00 36.56 H new ATOM 0 HD12 ILE A 156 5.089 8.224 31.145 1.00 36.56 H new ATOM 0 HD13 ILE A 156 6.109 8.877 30.124 1.00 36.56 H new ATOM 1246 N SER A 157 1.538 12.418 30.567 1.00 38.58 N ATOM 1247 CA SER A 157 0.515 13.056 29.736 1.00 38.30 C ATOM 1248 C SER A 157 0.152 14.460 30.257 1.00 40.35 C ATOM 1249 O SER A 157 0.072 15.413 29.477 1.00 39.32 O ATOM 1250 CB SER A 157 -0.733 12.187 29.646 1.00 41.06 C ATOM 1251 OG SER A 157 -1.742 12.817 28.902 1.00 40.04 O ATOM 0 H SER A 157 1.277 11.702 30.965 1.00 38.58 H new ATOM 0 HA SER A 157 0.889 13.156 28.847 1.00 38.30 H new ATOM 0 HB2 SER A 157 -0.509 11.337 29.236 1.00 41.06 H new ATOM 0 HB3 SER A 157 -1.060 11.993 30.539 1.00 41.06 H new ATOM 0 HG SER A 157 -1.417 13.119 28.189 1.00 40.04 H new ATOM 1252 N LEU A 158 -0.078 14.563 31.561 1.00 37.64 N ATOM 1253 CA LEU A 158 -0.412 15.855 32.201 1.00 36.36 C ATOM 1254 C LEU A 158 0.689 16.892 31.981 1.00 37.53 C ATOM 1255 O LEU A 158 0.393 18.041 31.620 1.00 38.17 O ATOM 1256 CB LEU A 158 -0.696 15.656 33.697 1.00 35.26 C ATOM 1257 CG LEU A 158 -2.039 14.968 33.947 1.00 38.19 C ATOM 1258 CD1 LEU A 158 -2.105 14.381 35.374 1.00 35.25 C ATOM 1259 CD2 LEU A 158 -3.144 15.950 33.682 1.00 36.21 C ATOM 0 H LEU A 158 -0.048 13.898 32.105 1.00 37.64 H new ATOM 0 HA LEU A 158 -1.216 16.197 31.781 1.00 36.36 H new ATOM 0 HB2 LEU A 158 0.015 15.126 34.091 1.00 35.26 H new ATOM 0 HB3 LEU A 158 -0.688 16.517 34.143 1.00 35.26 H new ATOM 0 HG LEU A 158 -2.142 14.217 33.341 1.00 38.19 H new ATOM 0 HD11 LEU A 158 -2.964 13.951 35.508 1.00 35.25 H new ATOM 0 HD12 LEU A 158 -1.396 13.729 35.489 1.00 35.25 H new ATOM 0 HD13 LEU A 158 -1.996 15.094 36.023 1.00 35.25 H new ATOM 0 HD21 LEU A 158 -4.001 15.523 33.838 1.00 36.21 H new ATOM 0 HD22 LEU A 158 -3.050 16.711 34.276 1.00 36.21 H new ATOM 0 HD23 LEU A 158 -3.096 16.251 32.761 1.00 36.21 H new ATOM 1260 N VAL A 159 1.945 16.494 32.188 1.00 37.28 N ATOM 1261 CA VAL A 159 3.097 17.395 31.996 1.00 36.24 C ATOM 1262 C VAL A 159 3.242 17.803 30.524 1.00 37.67 C ATOM 1263 O VAL A 159 3.506 18.968 30.232 1.00 37.13 O ATOM 1264 CB VAL A 159 4.436 16.815 32.562 1.00 38.08 C ATOM 1265 CG1 VAL A 159 5.675 17.630 32.149 1.00 39.08 C ATOM 1266 CG2 VAL A 159 4.353 16.685 34.123 1.00 36.32 C ATOM 0 H VAL A 159 2.158 15.700 32.442 1.00 37.28 H new ATOM 0 HA VAL A 159 2.909 18.192 32.517 1.00 36.24 H new ATOM 0 HB VAL A 159 4.548 15.935 32.169 1.00 38.08 H new ATOM 0 HG11 VAL A 159 6.470 17.224 32.528 1.00 39.08 H new ATOM 0 HG12 VAL A 159 5.747 17.641 31.182 1.00 39.08 H new ATOM 0 HG13 VAL A 159 5.589 18.539 32.477 1.00 39.08 H new ATOM 0 HG21 VAL A 159 5.187 16.325 34.463 1.00 36.32 H new ATOM 0 HG22 VAL A 159 4.196 17.559 34.513 1.00 36.32 H new ATOM 0 HG23 VAL A 159 3.624 16.090 34.360 1.00 36.32 H new ATOM 1267 N ASN A 160 3.106 16.844 29.609 1.00 38.48 N ATOM 1268 CA ASN A 160 3.142 17.164 28.164 1.00 39.14 C ATOM 1269 C ASN A 160 2.025 18.155 27.792 1.00 38.88 C ATOM 1270 O ASN A 160 2.248 19.044 26.954 1.00 39.64 O ATOM 1271 CB ASN A 160 3.006 15.900 27.296 1.00 37.59 C ATOM 1272 CG ASN A 160 4.276 15.097 27.211 1.00 42.38 C ATOM 1273 OD1 ASN A 160 5.387 15.626 27.330 1.00 42.55 O ATOM 1274 ND2 ASN A 160 4.123 13.807 26.945 1.00 40.93 N ATOM 0 H ASN A 160 2.993 16.011 29.791 1.00 38.48 H new ATOM 0 HA ASN A 160 4.006 17.569 27.988 1.00 39.14 H new ATOM 0 HB2 ASN A 160 2.301 15.341 27.658 1.00 37.59 H new ATOM 0 HB3 ASN A 160 2.733 16.157 26.402 1.00 37.59 H new ATOM 0 HD21 ASN A 160 4.813 13.303 26.848 1.00 40.93 H new ATOM 0 HD22 ASN A 160 3.334 13.474 26.869 1.00 40.93 H new ATOM 1275 N GLN A 161 0.867 18.022 28.445 1.00 38.63 N ATOM 1276 CA GLN A 161 -0.263 18.926 28.174 1.00 37.73 C ATOM 1277 C GLN A 161 -0.125 20.322 28.790 1.00 41.64 C ATOM 1278 O GLN A 161 -0.750 21.276 28.284 1.00 42.57 O ATOM 1279 CB GLN A 161 -1.594 18.291 28.554 1.00 38.10 C ATOM 1280 CG GLN A 161 -1.945 17.122 27.627 1.00 38.91 C ATOM 1281 CD GLN A 161 -3.215 16.430 27.984 1.00 33.67 C ATOM 1282 OE1 GLN A 161 -4.027 16.929 28.785 1.00 39.48 O ATOM 1283 NE2 GLN A 161 -3.433 15.241 27.378 1.00 37.22 N ATOM 0 H GLN A 161 0.713 17.423 29.043 1.00 38.63 H new ATOM 0 HA GLN A 161 -0.244 19.064 27.214 1.00 37.73 H new ATOM 0 HB2 GLN A 161 -1.554 17.977 29.471 1.00 38.10 H new ATOM 0 HB3 GLN A 161 -2.296 18.959 28.513 1.00 38.10 H new ATOM 0 HG2 GLN A 161 -2.011 17.451 26.717 1.00 38.91 H new ATOM 0 HG3 GLN A 161 -1.220 16.478 27.644 1.00 38.91 H new ATOM 0 HE21 GLN A 161 -2.851 14.925 26.830 1.00 37.22 H new ATOM 0 HE22 GLN A 161 -4.154 14.801 27.541 1.00 37.22 H new HETATM 1284 N MSE A 162 0.629 20.421 29.880 1.00 38.11 N HETATM 1285 CA MSE A 162 0.912 21.677 30.573 1.00 37.11 C HETATM 1286 C MSE A 162 2.127 22.422 30.019 1.00 38.75 C HETATM 1287 O MSE A 162 2.250 23.633 30.228 1.00 38.18 O HETATM 1288 CB MSE A 162 1.093 21.416 32.077 1.00 37.85 C HETATM 1289 CG MSE A 162 -0.203 21.025 32.715 1.00 37.57 C HETATM 1290 SE MSE A 162 0.054 20.633 34.634 0.75 43.54 SE HETATM 1291 CE MSE A 162 0.336 22.335 35.320 1.00 46.19 C HETATM 0 H MSE A 162 1.002 19.740 30.249 1.00 38.11 H new HETATM 0 HA MSE A 162 0.147 22.254 30.422 1.00 37.11 H new HETATM 0 HB2 MSE A 162 1.748 20.713 32.210 1.00 37.85 H new HETATM 0 HB3 MSE A 162 1.441 22.213 32.507 1.00 37.85 H new HETATM 0 HG2 MSE A 162 -0.849 21.741 32.610 1.00 37.57 H new HETATM 0 HG3 MSE A 162 -0.567 20.246 32.267 1.00 37.57 H new HETATM 0 HE1 MSE A 162 0.479 22.279 36.278 1.00 46.19 H new HETATM 0 HE2 MSE A 162 1.117 22.728 34.900 1.00 46.19 H new HETATM 0 HE3 MSE A 162 -0.440 22.889 35.141 1.00 46.19 H new ATOM 1292 N CYS A 163 3.038 21.702 29.352 1.00 36.63 N ATOM 1293 CA CYS A 163 4.282 22.273 28.802 1.00 39.46 C ATOM 1294 C CYS A 163 4.317 22.295 27.275 1.00 37.41 C ATOM 1295 O CYS A 163 5.365 22.564 26.682 1.00 39.68 O ATOM 1296 CB CYS A 163 5.478 21.477 29.304 1.00 38.26 C ATOM 1297 SG CYS A 163 5.698 21.595 31.110 1.00 41.80 S ATOM 0 H CYS A 163 2.952 20.859 29.204 1.00 36.63 H new ATOM 0 HA CYS A 163 4.317 23.193 29.107 1.00 39.46 H new ATOM 0 HB2 CYS A 163 5.368 20.546 29.056 1.00 38.26 H new ATOM 0 HB3 CYS A 163 6.281 21.795 28.863 1.00 38.26 H new ATOM 0 HG CYS A 163 6.646 20.938 31.442 1.00 41.80 H new ATOM 1298 N ALA A 164 3.171 22.053 26.657 1.00 38.82 N ATOM 1299 CA ALA A 164 3.065 21.904 25.213 1.00 37.38 C ATOM 1300 C ALA A 164 3.763 22.999 24.389 1.00 38.08 C ATOM 1301 O ALA A 164 4.507 22.667 23.474 1.00 37.99 O ATOM 1302 CB ALA A 164 1.586 21.709 24.785 1.00 37.79 C ATOM 0 H ALA A 164 2.421 21.969 27.070 1.00 38.82 H new ATOM 0 HA ALA A 164 3.563 21.099 25.002 1.00 37.38 H new ATOM 0 HB1 ALA A 164 1.538 21.612 23.821 1.00 37.79 H new ATOM 0 HB2 ALA A 164 1.229 20.912 25.208 1.00 37.79 H new ATOM 0 HB3 ALA A 164 1.065 22.481 25.058 1.00 37.79 H new ATOM 1303 N PRO A 165 3.557 24.296 24.729 1.00 38.33 N ATOM 1304 CA PRO A 165 4.228 25.364 23.958 1.00 38.05 C ATOM 1305 C PRO A 165 5.744 25.345 24.031 1.00 36.43 C ATOM 1306 O PRO A 165 6.373 25.927 23.138 1.00 38.59 O ATOM 1307 CB PRO A 165 3.666 26.666 24.576 1.00 36.54 C ATOM 1308 CG PRO A 165 2.412 26.262 25.234 1.00 36.99 C ATOM 1309 CD PRO A 165 2.646 24.877 25.744 1.00 37.65 C ATOM 0 HA PRO A 165 4.050 25.260 23.010 1.00 38.05 H new ATOM 0 HB2 PRO A 165 4.289 27.051 25.212 1.00 36.54 H new ATOM 0 HB3 PRO A 165 3.505 27.338 23.895 1.00 36.54 H new ATOM 0 HG2 PRO A 165 2.189 26.867 25.959 1.00 36.99 H new ATOM 0 HG3 PRO A 165 1.670 26.282 24.610 1.00 36.99 H new ATOM 0 HD2 PRO A 165 3.049 24.883 26.626 1.00 37.65 H new ATOM 0 HD3 PRO A 165 1.819 24.375 25.813 1.00 37.65 H new ATOM 1310 N TYR A 166 6.321 24.722 25.064 1.00 36.55 N ATOM 1311 CA TYR A 166 7.781 24.596 25.220 1.00 39.86 C ATOM 1312 C TYR A 166 8.332 23.270 24.738 1.00 42.88 C ATOM 1313 O TYR A 166 9.525 23.007 24.947 1.00 44.84 O ATOM 1314 CB TYR A 166 8.180 24.817 26.695 1.00 38.74 C ATOM 1315 CG TYR A 166 7.861 26.224 27.094 1.00 38.16 C ATOM 1316 CD1 TYR A 166 8.756 27.245 26.802 1.00 41.06 C ATOM 1317 CD2 TYR A 166 6.633 26.553 27.687 1.00 36.06 C ATOM 1318 CE1 TYR A 166 8.478 28.578 27.121 1.00 40.49 C ATOM 1319 CE2 TYR A 166 6.336 27.883 28.017 1.00 36.36 C ATOM 1320 CZ TYR A 166 7.274 28.896 27.714 1.00 37.29 C ATOM 1321 OH TYR A 166 7.009 30.203 27.992 1.00 37.04 O ATOM 0 H TYR A 166 5.874 24.356 25.701 1.00 36.55 H new ATOM 0 HA TYR A 166 8.172 25.282 24.657 1.00 39.86 H new ATOM 0 HB2 TYR A 166 7.704 24.193 27.266 1.00 38.74 H new ATOM 0 HB3 TYR A 166 9.127 24.644 26.813 1.00 38.74 H new ATOM 0 HD1 TYR A 166 9.560 27.037 26.384 1.00 41.06 H new ATOM 0 HD2 TYR A 166 6.011 25.884 27.863 1.00 36.06 H new ATOM 0 HE1 TYR A 166 9.100 29.244 26.935 1.00 40.49 H new ATOM 0 HE2 TYR A 166 5.531 28.096 28.431 1.00 36.36 H new ATOM 0 HH TYR A 166 6.180 30.310 28.073 1.00 37.04 H new ATOM 1322 N CYS A 167 7.513 22.461 24.063 1.00 44.49 N ATOM 1323 CA ACYS A 167 7.922 21.136 23.608 0.50 43.76 C ATOM 1324 CA BCYS A 167 7.988 21.165 23.561 0.50 46.55 C ATOM 1325 C CYS A 167 7.375 20.767 22.222 1.00 44.61 C ATOM 1326 O CYS A 167 8.141 20.513 21.298 1.00 45.95 O ATOM 1327 CB ACYS A 167 7.478 20.122 24.639 0.50 43.39 C ATOM 1328 CB BCYS A 167 7.868 20.078 24.617 0.50 48.17 C ATOM 1329 SG ACYS A 167 8.091 18.489 24.254 0.50 42.86 S ATOM 1330 SG BCYS A 167 6.236 19.661 25.156 0.50 61.96 S ATOM 0 H ACYS A 167 6.704 22.668 23.857 0.50 44.49 H new ATOM 0 H BCYS A 167 6.690 22.638 23.886 0.50 44.49 H new ATOM 0 HA ACYS A 167 8.887 21.139 23.514 0.50 46.55 H new ATOM 0 HA BCYS A 167 8.934 21.275 23.374 0.50 46.55 H new ATOM 0 HB2ACYS A 167 7.795 20.390 25.516 0.50 48.17 H new ATOM 0 HB2BCYS A 167 8.286 19.274 24.271 0.50 48.17 H new ATOM 0 HB3ACYS A 167 6.509 20.104 24.681 0.50 48.17 H new ATOM 0 HB3BCYS A 167 8.381 20.353 25.393 0.50 48.17 H new ATOM 0 HG ACYS A 167 8.490 17.964 25.257 0.50 61.96 H new ATOM 0 HG BCYS A 167 5.740 20.608 25.701 0.50 61.96 H new ATOM 1331 N ALA A 168 6.039 20.742 22.088 1.00 42.68 N ATOM 1332 CA ALA A 168 5.395 20.409 20.803 1.00 42.04 C ATOM 1333 C ALA A 168 5.724 21.539 19.809 1.00 43.04 C ATOM 1334 O ALA A 168 5.303 22.682 19.999 1.00 40.78 O ATOM 1335 CB ALA A 168 3.881 20.238 20.967 1.00 40.77 C ATOM 0 H ALA A 168 5.489 20.914 22.727 1.00 42.68 H new ATOM 0 HA ALA A 168 5.732 19.562 20.471 1.00 42.04 H new ATOM 0 HB1 ALA A 168 3.485 20.020 20.109 1.00 40.77 H new ATOM 0 HB2 ALA A 168 3.702 19.522 21.596 1.00 40.77 H new ATOM 0 HB3 ALA A 168 3.496 21.064 21.300 1.00 40.77 H new ATOM 1336 N LEU A 169 6.477 21.222 18.750 1.00 40.06 N ATOM 1337 CA LEU A 169 7.009 22.269 17.870 1.00 40.71 C ATOM 1338 C LEU A 169 5.985 23.125 17.129 1.00 40.26 C ATOM 1339 O LEU A 169 6.245 24.314 16.911 1.00 40.54 O ATOM 1340 CB LEU A 169 8.075 21.724 16.910 1.00 42.28 C ATOM 1341 CG LEU A 169 9.325 21.096 17.558 1.00 44.19 C ATOM 1342 CD1 LEU A 169 10.236 20.530 16.469 1.00 43.28 C ATOM 1343 CD2 LEU A 169 10.095 22.113 18.401 1.00 42.08 C ATOM 0 H LEU A 169 6.689 20.419 18.526 1.00 40.06 H new ATOM 0 HA LEU A 169 7.422 22.888 18.493 1.00 40.71 H new ATOM 0 HB2 LEU A 169 7.660 21.057 16.342 1.00 42.28 H new ATOM 0 HB3 LEU A 169 8.363 22.448 16.333 1.00 42.28 H new ATOM 0 HG LEU A 169 9.032 20.384 18.148 1.00 44.19 H new ATOM 0 HD11 LEU A 169 11.022 20.135 16.877 1.00 43.28 H new ATOM 0 HD12 LEU A 169 9.758 19.852 15.967 1.00 43.28 H new ATOM 0 HD13 LEU A 169 10.507 21.244 15.870 1.00 43.28 H new ATOM 0 HD21 LEU A 169 10.873 21.686 18.793 1.00 42.08 H new ATOM 0 HD22 LEU A 169 10.380 22.850 17.839 1.00 42.08 H new ATOM 0 HD23 LEU A 169 9.521 22.449 19.107 1.00 42.08 H new ATOM 1344 N ASN A 170 4.820 22.562 16.787 1.00 41.70 N ATOM 1345 CA ASN A 170 3.764 23.351 16.118 1.00 43.63 C ATOM 1346 C ASN A 170 3.111 24.355 17.100 1.00 43.56 C ATOM 1347 O ASN A 170 2.784 25.492 16.726 1.00 42.04 O ATOM 1348 CB ASN A 170 2.736 22.432 15.445 1.00 44.51 C ATOM 1349 CG ASN A 170 3.354 21.633 14.256 1.00 54.56 C ATOM 1350 OD1 ASN A 170 3.877 22.220 13.299 1.00 59.61 O ATOM 1351 ND2 ASN A 170 3.263 20.306 14.313 1.00 67.34 N ATOM 0 H ASN A 170 4.619 21.738 16.929 1.00 41.70 H new ATOM 0 HA ASN A 170 4.174 23.877 15.414 1.00 43.63 H new ATOM 0 HB2 ASN A 170 2.381 21.811 16.100 1.00 44.51 H new ATOM 0 HB3 ASN A 170 1.991 22.963 15.124 1.00 44.51 H new ATOM 0 HD21 ASN A 170 3.574 19.826 13.671 1.00 67.34 H new ATOM 0 HD22 ASN A 170 2.894 19.929 14.992 1.00 67.34 H new ATOM 1352 N THR A 171 2.927 23.912 18.344 1.00 41.72 N ATOM 1353 CA THR A 171 2.422 24.769 19.435 1.00 40.06 C ATOM 1354 C THR A 171 3.443 25.860 19.749 1.00 39.72 C ATOM 1355 O THR A 171 3.092 27.041 19.888 1.00 39.25 O ATOM 1356 CB THR A 171 2.134 23.932 20.705 1.00 42.70 C ATOM 1357 OG1 THR A 171 1.363 22.777 20.337 1.00 42.11 O ATOM 1358 CG2 THR A 171 1.336 24.755 21.752 1.00 41.36 C ATOM 0 H THR A 171 3.091 23.103 18.586 1.00 41.72 H new ATOM 0 HA THR A 171 1.592 25.178 19.146 1.00 40.06 H new ATOM 0 HB THR A 171 2.981 23.671 21.099 1.00 42.70 H new ATOM 0 HG1 THR A 171 1.203 22.317 21.021 1.00 42.11 H new ATOM 0 HG21 THR A 171 1.170 24.208 22.535 1.00 41.36 H new ATOM 0 HG22 THR A 171 1.849 25.538 22.008 1.00 41.36 H new ATOM 0 HG23 THR A 171 0.490 25.034 21.368 1.00 41.36 H new HETATM 1359 N MSE A 172 4.712 25.461 19.853 1.00 38.58 N HETATM 1360 CA MSE A 172 5.823 26.411 20.078 1.00 37.50 C HETATM 1361 C MSE A 172 5.846 27.514 19.026 1.00 38.93 C HETATM 1362 O MSE A 172 6.034 28.698 19.356 1.00 37.49 O HETATM 1363 CB MSE A 172 7.179 25.685 20.132 1.00 39.15 C HETATM 1364 CG MSE A 172 8.298 26.564 20.631 1.00 38.06 C HETATM 1365 SE MSE A 172 10.025 25.723 20.394 0.75 38.15 SE HETATM 1366 CE MSE A 172 9.898 24.309 21.647 1.00 39.93 C HETATM 0 H MSE A 172 4.959 24.639 19.796 1.00 38.58 H new HETATM 0 HA MSE A 172 5.668 26.828 20.940 1.00 37.50 H new HETATM 0 HB2 MSE A 172 7.102 24.909 20.709 1.00 39.15 H new HETATM 0 HB3 MSE A 172 7.401 25.359 19.246 1.00 39.15 H new HETATM 0 HG2 MSE A 172 8.282 27.410 20.157 1.00 38.06 H new HETATM 0 HG3 MSE A 172 8.160 26.762 21.570 1.00 38.06 H new HETATM 0 HE1 MSE A 172 10.718 23.791 21.634 1.00 39.93 H new HETATM 0 HE2 MSE A 172 9.761 24.675 22.535 1.00 39.93 H new HETATM 0 HE3 MSE A 172 9.150 23.737 21.414 1.00 39.93 H new ATOM 1367 N THR A 173 5.628 27.126 17.768 1.00 39.71 N ATOM 1368 CA THR A 173 5.597 28.048 16.654 1.00 39.26 C ATOM 1369 C THR A 173 4.470 29.056 16.815 1.00 39.58 C ATOM 1370 O THR A 173 4.712 30.244 16.708 1.00 37.62 O ATOM 1371 CB THR A 173 5.490 27.302 15.299 1.00 40.93 C ATOM 1372 OG1 THR A 173 6.629 26.452 15.161 1.00 40.92 O ATOM 1373 CG2 THR A 173 5.460 28.301 14.120 1.00 41.01 C ATOM 0 H THR A 173 5.493 26.307 17.544 1.00 39.71 H new ATOM 0 HA THR A 173 6.437 28.533 16.652 1.00 39.26 H new ATOM 0 HB THR A 173 4.669 26.786 15.285 1.00 40.93 H new ATOM 0 HG1 THR A 173 6.551 25.793 15.676 1.00 40.92 H new ATOM 0 HG21 THR A 173 5.393 27.813 13.284 1.00 41.01 H new ATOM 0 HG22 THR A 173 4.694 28.889 14.213 1.00 41.01 H new ATOM 0 HG23 THR A 173 6.274 28.828 14.122 1.00 41.01 H new ATOM 1374 N THR A 174 3.267 28.565 17.122 1.00 40.09 N ATOM 1375 CA THR A 174 2.105 29.428 17.384 1.00 41.37 C ATOM 1376 C THR A 174 2.326 30.462 18.527 1.00 41.72 C ATOM 1377 O THR A 174 2.021 31.640 18.379 1.00 40.60 O ATOM 1378 CB THR A 174 0.888 28.529 17.719 1.00 43.99 C ATOM 1379 OG1 THR A 174 0.625 27.695 16.572 1.00 42.66 O ATOM 1380 CG2 THR A 174 -0.317 29.348 18.075 1.00 43.24 C ATOM 0 H THR A 174 3.099 27.724 17.185 1.00 40.09 H new ATOM 0 HA THR A 174 1.953 29.951 16.581 1.00 41.37 H new ATOM 0 HB THR A 174 1.089 27.981 18.494 1.00 43.99 H new ATOM 0 HG1 THR A 174 1.182 27.067 16.548 1.00 42.66 H new ATOM 0 HG21 THR A 174 -1.060 28.759 18.279 1.00 43.24 H new ATOM 0 HG22 THR A 174 -0.118 29.897 18.850 1.00 43.24 H new ATOM 0 HG23 THR A 174 -0.553 29.919 17.327 1.00 43.24 H new ATOM 1381 N PHE A 175 2.875 29.995 19.639 1.00 39.75 N ATOM 1382 CA PHE A 175 3.096 30.813 20.844 1.00 39.02 C ATOM 1383 C PHE A 175 4.416 31.569 20.916 1.00 39.62 C ATOM 1384 O PHE A 175 4.588 32.370 21.851 1.00 38.32 O ATOM 1385 CB PHE A 175 3.059 29.896 22.090 1.00 37.31 C ATOM 1386 CG PHE A 175 1.675 29.493 22.515 1.00 37.31 C ATOM 1387 CD1 PHE A 175 0.971 28.514 21.832 1.00 43.10 C ATOM 1388 CD2 PHE A 175 1.089 30.075 23.643 1.00 41.93 C ATOM 1389 CE1 PHE A 175 -0.292 28.143 22.235 1.00 39.95 C ATOM 1390 CE2 PHE A 175 -0.176 29.705 24.052 1.00 39.42 C ATOM 1391 CZ PHE A 175 -0.872 28.741 23.350 1.00 41.67 C ATOM 0 H PHE A 175 3.137 29.180 19.725 1.00 39.75 H new ATOM 0 HA PHE A 175 2.390 31.477 20.809 1.00 39.02 H new ATOM 0 HB2 PHE A 175 3.576 29.096 21.906 1.00 37.31 H new ATOM 0 HB3 PHE A 175 3.494 30.352 22.828 1.00 37.31 H new ATOM 0 HD1 PHE A 175 1.356 28.103 21.092 1.00 43.10 H new ATOM 0 HD2 PHE A 175 1.557 30.719 24.123 1.00 41.93 H new ATOM 0 HE1 PHE A 175 -0.758 27.492 21.762 1.00 39.95 H new ATOM 0 HE2 PHE A 175 -0.559 30.104 24.799 1.00 39.42 H new ATOM 0 HZ PHE A 175 -1.726 28.492 23.621 1.00 41.67 H new HETATM 1392 N MSE A 176 5.316 31.326 19.961 1.00 38.93 N HETATM 1393 CA MSE A 176 6.725 31.756 20.054 1.00 39.35 C HETATM 1394 C MSE A 176 7.024 33.121 20.662 1.00 41.74 C HETATM 1395 O MSE A 176 7.874 33.228 21.565 1.00 41.28 O HETATM 1396 CB MSE A 176 7.440 31.655 18.704 1.00 42.22 C HETATM 1397 CG MSE A 176 8.971 31.802 18.780 1.00 38.95 C HETATM 1398 SE MSE A 176 9.928 30.417 19.684 0.75 38.00 SE HETATM 1399 CE MSE A 176 9.766 29.036 18.308 1.00 44.37 C HETATM 0 H MSE A 176 5.130 30.905 19.235 1.00 38.93 H new HETATM 0 HA MSE A 176 7.070 31.119 20.700 1.00 39.35 H new HETATM 0 HB2 MSE A 176 7.228 30.798 18.302 1.00 42.22 H new HETATM 0 HB3 MSE A 176 7.090 32.340 18.113 1.00 42.22 H new HETATM 0 HG2 MSE A 176 9.314 31.864 17.875 1.00 38.95 H new HETATM 0 HG3 MSE A 176 9.172 32.644 19.218 1.00 38.95 H new HETATM 0 HE1 MSE A 176 10.212 28.228 18.606 1.00 44.37 H new HETATM 0 HE2 MSE A 176 8.828 28.847 18.148 1.00 44.37 H new HETATM 0 HE3 MSE A 176 10.177 29.347 17.487 1.00 44.37 H new ATOM 1400 N GLU A 177 6.340 34.151 20.173 1.00 41.90 N ATOM 1401 CA GLU A 177 6.589 35.532 20.641 1.00 43.00 C ATOM 1402 C GLU A 177 6.345 35.727 22.139 1.00 43.39 C ATOM 1403 O GLU A 177 6.955 36.611 22.748 1.00 42.72 O ATOM 1404 CB GLU A 177 5.691 36.540 19.900 1.00 44.10 C ATOM 1405 CG GLU A 177 5.827 36.573 18.374 1.00 53.08 C ATOM 1406 CD GLU A 177 7.065 37.272 17.850 1.00 65.00 C ATOM 1407 OE1 GLU A 177 7.971 37.655 18.636 1.00 74.60 O ATOM 1408 OE2 GLU A 177 7.126 37.431 16.610 1.00 72.43 O ATOM 0 H GLU A 177 5.728 34.082 19.572 1.00 41.90 H new ATOM 0 HA GLU A 177 7.528 35.688 20.454 1.00 43.00 H new ATOM 0 HB2 GLU A 177 4.767 36.344 20.120 1.00 44.10 H new ATOM 0 HB3 GLU A 177 5.882 37.427 20.242 1.00 44.10 H new ATOM 0 HG2 GLU A 177 5.824 35.661 18.044 1.00 53.08 H new ATOM 0 HG3 GLU A 177 5.045 37.011 18.004 1.00 53.08 H new ATOM 1409 N ARG A 178 5.459 34.908 22.713 1.00 39.90 N ATOM 1410 CA ARG A 178 5.041 35.004 24.117 1.00 40.40 C ATOM 1411 C ARG A 178 5.740 34.028 25.062 1.00 40.40 C ATOM 1412 O ARG A 178 5.457 34.040 26.262 1.00 41.83 O ATOM 1413 CB ARG A 178 3.527 34.807 24.188 1.00 41.74 C ATOM 1414 CG ARG A 178 2.738 35.750 23.243 1.00 47.87 C ATOM 1415 CD ARG A 178 1.228 35.546 23.332 1.00 48.34 C ATOM 1416 NE ARG A 178 0.734 34.226 22.871 1.00 58.39 N ATOM 1417 CZ ARG A 178 0.392 33.892 21.623 1.00 54.59 C ATOM 1418 NH1 ARG A 178 0.565 34.720 20.596 1.00 62.01 N ATOM 1419 NH2 ARG A 178 -0.089 32.666 21.395 1.00 58.02 N ATOM 0 H ARG A 178 5.075 34.267 22.287 1.00 39.90 H new ATOM 0 HA ARG A 178 5.304 35.885 24.425 1.00 40.40 H new ATOM 0 HB2 ARG A 178 3.317 33.887 23.965 1.00 41.74 H new ATOM 0 HB3 ARG A 178 3.231 34.953 25.100 1.00 41.74 H new ATOM 0 HG2 ARG A 178 2.949 36.671 23.461 1.00 47.87 H new ATOM 0 HG3 ARG A 178 3.027 35.602 22.329 1.00 47.87 H new ATOM 0 HD2 ARG A 178 0.954 35.672 24.254 1.00 48.34 H new ATOM 0 HD3 ARG A 178 0.793 36.237 22.809 1.00 48.34 H new ATOM 0 HE ARG A 178 0.660 33.612 23.469 1.00 58.39 H new ATOM 0 HH11 ARG A 178 0.907 35.499 20.724 1.00 62.01 H new ATOM 0 HH12 ARG A 178 0.335 34.477 19.804 1.00 62.01 H new ATOM 0 HH21 ARG A 178 -0.173 32.109 22.045 1.00 58.02 H new ATOM 0 HH22 ARG A 178 -0.314 32.434 20.598 1.00 58.02 H new ATOM 1420 N LEU A 179 6.666 33.224 24.536 1.00 36.00 N ATOM 1421 CA LEU A 179 7.376 32.216 25.311 1.00 36.98 C ATOM 1422 C LEU A 179 8.617 32.804 25.931 1.00 38.83 C ATOM 1423 O LEU A 179 9.209 33.739 25.390 1.00 38.53 O ATOM 1424 CB LEU A 179 7.797 31.030 24.423 1.00 38.46 C ATOM 1425 CG LEU A 179 6.683 30.272 23.689 1.00 38.00 C ATOM 1426 CD1 LEU A 179 7.276 29.057 22.899 1.00 33.96 C ATOM 1427 CD2 LEU A 179 5.586 29.805 24.668 1.00 34.11 C ATOM 0 H LEU A 179 6.899 33.252 23.709 1.00 36.00 H new ATOM 0 HA LEU A 179 6.771 31.906 26.003 1.00 36.98 H new ATOM 0 HB2 LEU A 179 8.424 31.359 23.760 1.00 38.46 H new ATOM 0 HB3 LEU A 179 8.277 30.395 24.977 1.00 38.46 H new ATOM 0 HG LEU A 179 6.273 30.881 23.055 1.00 38.00 H new ATOM 0 HD11 LEU A 179 6.561 28.588 22.441 1.00 33.96 H new ATOM 0 HD12 LEU A 179 7.921 29.377 22.249 1.00 33.96 H new ATOM 0 HD13 LEU A 179 7.714 28.452 23.517 1.00 33.96 H new ATOM 0 HD21 LEU A 179 4.896 29.330 24.179 1.00 34.11 H new ATOM 0 HD22 LEU A 179 5.975 29.215 25.333 1.00 34.11 H new ATOM 0 HD23 LEU A 179 5.196 30.576 25.109 1.00 34.11 H new ATOM 1428 N SER A 180 9.010 32.250 27.071 1.00 40.52 N ATOM 1429 CA SER A 180 10.275 32.642 27.725 1.00 38.35 C ATOM 1430 C SER A 180 10.698 31.597 28.739 1.00 38.39 C ATOM 1431 O SER A 180 9.868 30.799 29.228 1.00 38.05 O ATOM 1432 CB SER A 180 10.171 33.986 28.444 1.00 37.05 C ATOM 1433 OG SER A 180 9.371 33.885 29.605 1.00 38.09 O ATOM 0 H SER A 180 8.565 31.644 27.490 1.00 40.52 H new ATOM 0 HA SER A 180 10.932 32.718 27.016 1.00 38.35 H new ATOM 0 HB2 SER A 180 11.058 34.296 28.685 1.00 37.05 H new ATOM 0 HB3 SER A 180 9.793 34.648 27.844 1.00 37.05 H new ATOM 0 HG SER A 180 8.978 34.615 29.739 1.00 38.09 H new ATOM 1434 N GLU A 181 11.980 31.635 29.064 1.00 39.70 N ATOM 1435 CA GLU A 181 12.549 30.790 30.117 1.00 40.88 C ATOM 1436 C GLU A 181 11.907 31.118 31.468 1.00 40.81 C ATOM 1437 O GLU A 181 11.638 30.213 32.246 1.00 38.61 O ATOM 1438 CB GLU A 181 14.055 30.951 30.159 1.00 41.26 C ATOM 1439 CG GLU A 181 14.748 30.280 28.981 1.00 44.43 C ATOM 1440 CD GLU A 181 16.131 30.838 28.703 1.00 44.58 C ATOM 1441 OE1 GLU A 181 16.218 31.894 28.066 1.00 48.18 O ATOM 1442 OE2 GLU A 181 17.130 30.215 29.088 1.00 47.79 O ATOM 0 H GLU A 181 12.552 32.152 28.682 1.00 39.70 H new ATOM 0 HA GLU A 181 12.356 29.860 29.919 1.00 40.88 H new ATOM 0 HB2 GLU A 181 14.276 31.895 30.165 1.00 41.26 H new ATOM 0 HB3 GLU A 181 14.394 30.575 30.986 1.00 41.26 H new ATOM 0 HG2 GLU A 181 14.819 29.328 29.154 1.00 44.43 H new ATOM 0 HG3 GLU A 181 14.199 30.384 28.188 1.00 44.43 H new ATOM 1443 N ASP A 182 11.634 32.411 31.718 1.00 39.83 N ATOM 1444 CA ASP A 182 10.951 32.840 32.945 1.00 39.02 C ATOM 1445 C ASP A 182 9.596 32.165 33.099 1.00 39.24 C ATOM 1446 O ASP A 182 9.282 31.661 34.171 1.00 39.77 O ATOM 1447 CB ASP A 182 10.761 34.363 33.007 1.00 40.39 C ATOM 1448 CG ASP A 182 12.044 35.133 33.302 1.00 47.08 C ATOM 1449 OD1 ASP A 182 13.055 34.535 33.676 1.00 45.73 O ATOM 1450 OD2 ASP A 182 12.027 36.383 33.183 1.00 46.02 O ATOM 0 H ASP A 182 11.839 33.054 31.185 1.00 39.83 H new ATOM 0 HA ASP A 182 11.529 32.571 33.676 1.00 39.02 H new ATOM 0 HB2 ASP A 182 10.397 34.670 32.162 1.00 40.39 H new ATOM 0 HB3 ASP A 182 10.105 34.571 33.690 1.00 40.39 H new ATOM 1451 N LYS A 183 8.833 32.122 32.007 1.00 37.61 N ATOM 1452 CA LYS A 183 7.503 31.504 32.030 1.00 35.55 C ATOM 1453 C LYS A 183 7.557 29.994 32.210 1.00 36.08 C ATOM 1454 O LYS A 183 6.780 29.428 32.992 1.00 36.99 O ATOM 1455 CB LYS A 183 6.718 31.895 30.790 1.00 36.40 C ATOM 1456 CG LYS A 183 6.259 33.348 30.839 1.00 38.27 C ATOM 1457 CD LYS A 183 5.541 33.765 29.578 1.00 39.82 C ATOM 1458 CE LYS A 183 5.073 35.227 29.674 1.00 42.22 C ATOM 1459 NZ LYS A 183 4.371 35.709 28.427 1.00 39.37 N ATOM 0 H LYS A 183 9.065 32.444 31.244 1.00 37.61 H new ATOM 0 HA LYS A 183 7.038 31.846 32.810 1.00 35.55 H new ATOM 0 HB2 LYS A 183 7.268 31.757 30.003 1.00 36.40 H new ATOM 0 HB3 LYS A 183 5.945 31.315 30.701 1.00 36.40 H new ATOM 0 HG2 LYS A 183 5.671 33.474 31.600 1.00 38.27 H new ATOM 0 HG3 LYS A 183 7.028 33.923 30.976 1.00 38.27 H new ATOM 0 HD2 LYS A 183 6.131 33.659 28.815 1.00 39.82 H new ATOM 0 HD3 LYS A 183 4.777 33.186 29.429 1.00 39.82 H new ATOM 0 HE2 LYS A 183 4.474 35.320 30.432 1.00 42.22 H new ATOM 0 HE3 LYS A 183 5.840 35.795 29.847 1.00 42.22 H new ATOM 0 HZ1 LYS A 183 4.187 36.576 28.506 1.00 39.37 H new ATOM 0 HZ2 LYS A 183 4.898 35.581 27.721 1.00 39.37 H new ATOM 0 HZ3 LYS A 183 3.614 35.254 28.318 1.00 39.37 H new ATOM 1460 N LEU A 184 8.477 29.337 31.507 1.00 36.93 N ATOM 1461 CA LEU A 184 8.656 27.891 31.641 1.00 35.57 C ATOM 1462 C LEU A 184 9.047 27.532 33.078 1.00 34.99 C ATOM 1463 O LEU A 184 8.611 26.517 33.600 1.00 35.59 O ATOM 1464 CB LEU A 184 9.696 27.371 30.622 1.00 37.98 C ATOM 1465 CG LEU A 184 10.116 25.905 30.694 1.00 38.80 C ATOM 1466 CD1 LEU A 184 8.877 24.988 30.547 1.00 39.21 C ATOM 1467 CD2 LEU A 184 11.206 25.622 29.633 1.00 37.57 C ATOM 0 H LEU A 184 9.010 29.711 30.945 1.00 36.93 H new ATOM 0 HA LEU A 184 7.813 27.454 31.445 1.00 35.57 H new ATOM 0 HB2 LEU A 184 9.345 27.534 29.733 1.00 37.98 H new ATOM 0 HB3 LEU A 184 10.496 27.912 30.715 1.00 37.98 H new ATOM 0 HG LEU A 184 10.504 25.711 31.561 1.00 38.80 H new ATOM 0 HD11 LEU A 184 9.154 24.060 30.594 1.00 39.21 H new ATOM 0 HD12 LEU A 184 8.249 25.174 31.263 1.00 39.21 H new ATOM 0 HD13 LEU A 184 8.450 25.155 29.692 1.00 39.21 H new ATOM 0 HD21 LEU A 184 11.471 24.690 29.681 1.00 37.57 H new ATOM 0 HD22 LEU A 184 10.855 25.813 28.749 1.00 37.57 H new ATOM 0 HD23 LEU A 184 11.977 26.186 29.802 1.00 37.57 H new ATOM 1468 N ALA A 185 9.888 28.357 33.716 1.00 36.50 N ATOM 1469 CA ALA A 185 10.284 28.124 35.114 1.00 33.97 C ATOM 1470 C ALA A 185 9.033 28.148 36.029 1.00 36.13 C ATOM 1471 O ALA A 185 8.859 27.265 36.883 1.00 37.99 O ATOM 1472 CB ALA A 185 11.382 29.145 35.567 1.00 35.59 C ATOM 0 H ALA A 185 10.240 29.056 33.358 1.00 36.50 H new ATOM 0 HA ALA A 185 10.684 27.244 35.189 1.00 33.97 H new ATOM 0 HB1 ALA A 185 11.625 28.971 36.490 1.00 35.59 H new ATOM 0 HB2 ALA A 185 12.165 29.050 35.003 1.00 35.59 H new ATOM 0 HB3 ALA A 185 11.036 30.048 35.489 1.00 35.59 H new ATOM 1473 N ARG A 186 8.160 29.133 35.815 1.00 36.34 N ATOM 1474 CA ARG A 186 6.883 29.238 36.550 1.00 38.00 C ATOM 1475 C ARG A 186 6.027 27.985 36.356 1.00 38.13 C ATOM 1476 O ARG A 186 5.450 27.480 37.316 1.00 39.23 O ATOM 1477 CB ARG A 186 6.074 30.435 36.086 1.00 38.94 C ATOM 1478 CG ARG A 186 6.690 31.792 36.408 1.00 40.79 C ATOM 1479 CD ARG A 186 6.390 32.185 37.812 1.00 44.18 C ATOM 1480 NE ARG A 186 6.977 33.487 38.120 1.00 43.71 N ATOM 1481 CZ ARG A 186 8.013 33.706 38.920 1.00 42.24 C ATOM 1482 NH1 ARG A 186 8.545 32.764 39.679 1.00 43.52 N ATOM 1483 NH2 ARG A 186 8.430 34.949 39.063 1.00 42.11 N ATOM 0 H ARG A 186 8.286 29.761 35.242 1.00 36.34 H new ATOM 0 HA ARG A 186 7.113 29.340 37.487 1.00 38.00 H new ATOM 0 HB2 ARG A 186 5.948 30.371 35.126 1.00 38.94 H new ATOM 0 HB3 ARG A 186 5.194 30.390 36.491 1.00 38.94 H new ATOM 0 HG2 ARG A 186 7.650 31.756 36.275 1.00 40.79 H new ATOM 0 HG3 ARG A 186 6.344 32.462 35.798 1.00 40.79 H new ATOM 0 HD2 ARG A 186 5.430 32.218 37.945 1.00 44.18 H new ATOM 0 HD3 ARG A 186 6.738 31.516 38.422 1.00 44.18 H new ATOM 0 HE ARG A 186 6.618 34.175 37.749 1.00 43.71 H new ATOM 0 HH11 ARG A 186 8.220 31.968 39.668 1.00 43.52 H new ATOM 0 HH12 ARG A 186 9.217 32.947 40.184 1.00 43.52 H new ATOM 0 HH21 ARG A 186 8.033 35.587 38.644 1.00 42.11 H new ATOM 0 HH22 ARG A 186 9.099 35.122 39.575 1.00 42.11 H new ATOM 1484 N ILE A 187 5.962 27.502 35.112 1.00 38.53 N ATOM 1485 CA ILE A 187 5.175 26.317 34.774 1.00 36.00 C ATOM 1486 C ILE A 187 5.676 25.073 35.484 1.00 35.22 C ATOM 1487 O ILE A 187 4.901 24.334 36.094 1.00 37.58 O ATOM 1488 CB ILE A 187 5.098 26.104 33.224 1.00 33.54 C ATOM 1489 CG1 ILE A 187 4.336 27.290 32.611 1.00 34.74 C ATOM 1490 CG2 ILE A 187 4.411 24.743 32.880 1.00 35.72 C ATOM 1491 CD1 ILE A 187 4.208 27.261 31.094 1.00 38.56 C ATOM 0 H ILE A 187 6.373 27.853 34.443 1.00 38.53 H new ATOM 0 HA ILE A 187 4.273 26.477 35.094 1.00 36.00 H new ATOM 0 HB ILE A 187 5.992 26.067 32.850 1.00 33.54 H new ATOM 0 HG12 ILE A 187 3.446 27.319 32.996 1.00 34.74 H new ATOM 0 HG13 ILE A 187 4.783 28.111 32.868 1.00 34.74 H new ATOM 0 HG21 ILE A 187 4.375 24.633 31.917 1.00 35.72 H new ATOM 0 HG22 ILE A 187 4.921 24.015 33.269 1.00 35.72 H new ATOM 0 HG23 ILE A 187 3.510 24.735 33.240 1.00 35.72 H new ATOM 0 HD11 ILE A 187 3.716 28.042 30.796 1.00 38.56 H new ATOM 0 HD12 ILE A 187 5.092 27.264 30.694 1.00 38.56 H new ATOM 0 HD13 ILE A 187 3.734 26.459 30.824 1.00 38.56 H new ATOM 1492 N VAL A 188 6.982 24.844 35.414 1.00 36.79 N ATOM 1493 CA VAL A 188 7.606 23.697 36.079 1.00 36.28 C ATOM 1494 C VAL A 188 7.400 23.749 37.602 1.00 37.37 C ATOM 1495 O VAL A 188 7.087 22.714 38.227 1.00 36.79 O ATOM 1496 CB VAL A 188 9.106 23.533 35.675 1.00 36.25 C ATOM 1497 CG1 VAL A 188 9.797 22.408 36.483 1.00 32.75 C ATOM 1498 CG2 VAL A 188 9.196 23.254 34.159 1.00 37.18 C ATOM 0 H VAL A 188 7.533 25.344 34.983 1.00 36.79 H new ATOM 0 HA VAL A 188 7.156 22.897 35.766 1.00 36.28 H new ATOM 0 HB VAL A 188 9.574 24.357 35.882 1.00 36.25 H new ATOM 0 HG11 VAL A 188 10.724 22.334 36.207 1.00 32.75 H new ATOM 0 HG12 VAL A 188 9.757 22.618 37.429 1.00 32.75 H new ATOM 0 HG13 VAL A 188 9.343 21.566 36.319 1.00 32.75 H new ATOM 0 HG21 VAL A 188 10.126 23.151 33.903 1.00 37.18 H new ATOM 0 HG22 VAL A 188 8.712 22.440 33.950 1.00 37.18 H new ATOM 0 HG23 VAL A 188 8.807 23.995 33.670 1.00 37.18 H new ATOM 1499 N ASP A 189 7.529 24.940 38.196 1.00 38.97 N ATOM 1500 CA ASP A 189 7.236 25.090 39.629 1.00 36.51 C ATOM 1501 C ASP A 189 5.783 24.725 39.918 1.00 36.73 C ATOM 1502 O ASP A 189 5.495 24.048 40.901 1.00 40.30 O ATOM 1503 CB ASP A 189 7.533 26.519 40.144 1.00 36.66 C ATOM 1504 CG ASP A 189 9.041 26.779 40.415 1.00 37.40 C ATOM 1505 OD1 ASP A 189 9.845 25.836 40.633 1.00 39.98 O ATOM 1506 OD2 ASP A 189 9.410 27.986 40.476 1.00 39.05 O ATOM 0 H ASP A 189 7.779 25.660 37.798 1.00 38.97 H new ATOM 0 HA ASP A 189 7.823 24.481 40.103 1.00 36.51 H new ATOM 0 HB2 ASP A 189 7.213 27.163 39.493 1.00 36.66 H new ATOM 0 HB3 ASP A 189 7.034 26.671 40.962 1.00 36.66 H new ATOM 1507 N ALA A 190 4.883 25.184 39.050 1.00 36.30 N ATOM 1508 CA ALA A 190 3.437 24.910 39.183 1.00 36.54 C ATOM 1509 C ALA A 190 3.122 23.414 39.022 1.00 38.92 C ATOM 1510 O ALA A 190 2.285 22.863 39.748 1.00 38.25 O ATOM 1511 CB ALA A 190 2.633 25.763 38.195 1.00 37.45 C ATOM 0 H ALA A 190 5.086 25.663 38.365 1.00 36.30 H new ATOM 0 HA ALA A 190 3.170 25.158 40.082 1.00 36.54 H new ATOM 0 HB1 ALA A 190 1.688 25.571 38.296 1.00 37.45 H new ATOM 0 HB2 ALA A 190 2.792 26.703 38.374 1.00 37.45 H new ATOM 0 HB3 ALA A 190 2.910 25.556 37.289 1.00 37.45 H new ATOM 1512 N VAL A 191 3.824 22.757 38.101 1.00 39.76 N ATOM 1513 CA VAL A 191 3.696 21.301 37.907 1.00 38.33 C ATOM 1514 C VAL A 191 4.095 20.583 39.202 1.00 38.81 C ATOM 1515 O VAL A 191 3.302 19.823 39.756 1.00 39.58 O ATOM 1516 CB VAL A 191 4.570 20.783 36.744 1.00 40.51 C ATOM 1517 CG1 VAL A 191 4.777 19.260 36.821 1.00 38.57 C ATOM 1518 CG2 VAL A 191 4.004 21.226 35.383 1.00 37.45 C ATOM 0 H VAL A 191 4.386 23.135 37.571 1.00 39.76 H new ATOM 0 HA VAL A 191 2.771 21.115 37.681 1.00 38.33 H new ATOM 0 HB VAL A 191 5.448 21.186 36.833 1.00 40.51 H new ATOM 0 HG11 VAL A 191 5.329 18.970 36.078 1.00 38.57 H new ATOM 0 HG12 VAL A 191 5.216 19.035 37.656 1.00 38.57 H new ATOM 0 HG13 VAL A 191 3.917 18.814 36.778 1.00 38.57 H new ATOM 0 HG21 VAL A 191 4.570 20.888 34.671 1.00 37.45 H new ATOM 0 HG22 VAL A 191 3.106 20.874 35.276 1.00 37.45 H new ATOM 0 HG23 VAL A 191 3.978 22.195 35.343 1.00 37.45 H new ATOM 1519 N PHE A 192 5.281 20.897 39.710 1.00 38.59 N ATOM 1520 CA PHE A 192 5.801 20.245 40.916 1.00 38.83 C ATOM 1521 C PHE A 192 4.999 20.504 42.172 1.00 39.82 C ATOM 1522 O PHE A 192 4.738 19.570 42.938 1.00 41.85 O ATOM 1523 CB PHE A 192 7.282 20.568 41.151 1.00 37.78 C ATOM 1524 CG PHE A 192 8.205 19.551 40.552 1.00 38.72 C ATOM 1525 CD1 PHE A 192 8.400 19.500 39.183 1.00 37.37 C ATOM 1526 CD2 PHE A 192 8.853 18.615 41.365 1.00 40.43 C ATOM 1527 CE1 PHE A 192 9.235 18.501 38.620 1.00 38.04 C ATOM 1528 CE2 PHE A 192 9.687 17.645 40.818 1.00 38.71 C ATOM 1529 CZ PHE A 192 9.874 17.591 39.438 1.00 38.82 C ATOM 0 H PHE A 192 5.806 21.488 39.372 1.00 38.59 H new ATOM 0 HA PHE A 192 5.709 19.297 40.731 1.00 38.83 H new ATOM 0 HB2 PHE A 192 7.481 21.440 40.775 1.00 37.78 H new ATOM 0 HB3 PHE A 192 7.448 20.626 42.105 1.00 37.78 H new ATOM 0 HD1 PHE A 192 7.983 20.122 38.631 1.00 37.37 H new ATOM 0 HD2 PHE A 192 8.724 18.642 42.286 1.00 40.43 H new ATOM 0 HE1 PHE A 192 9.352 18.459 37.698 1.00 38.04 H new ATOM 0 HE2 PHE A 192 10.118 17.035 41.371 1.00 38.71 H new ATOM 0 HZ PHE A 192 10.429 16.942 39.069 1.00 38.82 H new ATOM 1530 N ASP A 193 4.622 21.753 42.381 1.00 40.40 N ATOM 1531 CA ASP A 193 3.859 22.122 43.582 1.00 40.66 C ATOM 1532 C ASP A 193 2.358 22.067 43.473 1.00 41.72 C ATOM 1533 O ASP A 193 1.706 22.162 44.500 1.00 42.42 O ATOM 1534 CB ASP A 193 4.317 23.493 44.073 1.00 39.85 C ATOM 1535 CG ASP A 193 5.758 23.468 44.527 1.00 41.01 C ATOM 1536 OD1 ASP A 193 6.196 22.462 45.117 1.00 40.95 O ATOM 1537 OD2 ASP A 193 6.468 24.439 44.305 1.00 39.96 O ATOM 0 H ASP A 193 4.792 22.406 41.848 1.00 40.40 H new ATOM 0 HA ASP A 193 4.061 21.427 44.228 1.00 40.66 H new ATOM 0 HB2 ASP A 193 4.212 24.144 43.361 1.00 39.85 H new ATOM 0 HB3 ASP A 193 3.751 23.781 44.806 1.00 39.85 H new ATOM 1538 N GLY A 194 1.811 21.861 42.269 1.00 38.99 N ATOM 1539 CA GLY A 194 0.368 21.834 42.055 1.00 39.50 C ATOM 1540 C GLY A 194 -0.259 20.564 41.530 1.00 39.49 C ATOM 1541 O GLY A 194 -1.455 20.403 41.689 1.00 38.02 O ATOM 0 H GLY A 194 2.272 21.733 41.554 1.00 38.99 H new ATOM 0 HA2 GLY A 194 -0.059 22.047 42.899 1.00 39.50 H new ATOM 0 HA3 GLY A 194 0.148 22.549 41.437 1.00 39.50 H new ATOM 1542 N LEU A 195 0.519 19.665 40.915 1.00 39.32 N ATOM 1543 CA LEU A 195 -0.041 18.464 40.303 1.00 39.82 C ATOM 1544 C LEU A 195 -0.090 17.280 41.273 1.00 40.61 C ATOM 1545 O LEU A 195 0.933 16.892 41.832 1.00 41.62 O ATOM 1546 CB LEU A 195 0.753 18.133 39.028 1.00 41.15 C ATOM 1547 CG LEU A 195 0.122 17.214 37.992 1.00 44.40 C ATOM 1548 CD1 LEU A 195 -1.171 17.815 37.415 1.00 38.62 C ATOM 1549 CD2 LEU A 195 1.143 16.987 36.870 1.00 39.97 C ATOM 0 H LEU A 195 1.373 19.736 40.844 1.00 39.32 H new ATOM 0 HA LEU A 195 -0.965 18.640 40.065 1.00 39.82 H new ATOM 0 HB2 LEU A 195 0.965 18.971 38.588 1.00 41.15 H new ATOM 0 HB3 LEU A 195 1.595 17.735 39.301 1.00 41.15 H new ATOM 0 HG LEU A 195 -0.116 16.374 38.415 1.00 44.40 H new ATOM 0 HD11 LEU A 195 -1.547 17.206 36.760 1.00 38.62 H new ATOM 0 HD12 LEU A 195 -1.811 17.954 38.131 1.00 38.62 H new ATOM 0 HD13 LEU A 195 -0.972 18.664 36.990 1.00 38.62 H new ATOM 0 HD21 LEU A 195 0.760 16.402 36.197 1.00 39.97 H new ATOM 0 HD22 LEU A 195 1.374 17.838 36.465 1.00 39.97 H new ATOM 0 HD23 LEU A 195 1.942 16.577 37.237 1.00 39.97 H new ATOM 1550 N SER A 196 -1.291 16.735 41.481 1.00 40.31 N ATOM 1551 CA SER A 196 -1.502 15.527 42.314 1.00 40.36 C ATOM 1552 C SER A 196 -2.864 14.909 41.997 1.00 41.31 C ATOM 1553 O SER A 196 -3.671 15.516 41.302 1.00 42.56 O ATOM 1554 CB SER A 196 -1.416 15.832 43.823 1.00 38.24 C ATOM 1555 OG SER A 196 -2.644 16.312 44.371 1.00 40.51 O ATOM 0 H SER A 196 -2.016 17.052 41.144 1.00 40.31 H new ATOM 0 HA SER A 196 -0.791 14.903 42.099 1.00 40.36 H new ATOM 0 HB2 SER A 196 -1.151 15.027 44.295 1.00 38.24 H new ATOM 0 HB3 SER A 196 -0.721 16.492 43.975 1.00 38.24 H new ATOM 0 HG SER A 196 -2.481 16.866 44.981 1.00 40.51 H new ATOM 1556 N ALA A 197 -3.118 13.728 42.561 1.00 40.86 N ATOM 1557 CA ALA A 197 -4.389 13.001 42.389 1.00 40.61 C ATOM 1558 C ALA A 197 -5.513 13.528 43.299 1.00 40.37 C ATOM 1559 O ALA A 197 -6.652 13.107 43.144 1.00 43.05 O ATOM 1560 CB ALA A 197 -4.210 11.491 42.628 1.00 40.87 C ATOM 0 H ALA A 197 -2.553 13.317 43.062 1.00 40.86 H new ATOM 0 HA ALA A 197 -4.654 13.156 41.469 1.00 40.61 H new ATOM 0 HB1 ALA A 197 -5.061 11.041 42.508 1.00 40.87 H new ATOM 0 HB2 ALA A 197 -3.566 11.137 41.995 1.00 40.87 H new ATOM 0 HB3 ALA A 197 -3.891 11.342 43.532 1.00 40.87 H new ATOM 1561 N GLN A 198 -5.197 14.429 44.229 1.00 41.30 N ATOM 1562 CA GLN A 198 -6.179 15.011 45.127 1.00 42.43 C ATOM 1563 C GLN A 198 -7.019 16.058 44.394 1.00 42.03 C ATOM 1564 O GLN A 198 -6.498 17.098 43.960 1.00 41.23 O ATOM 1565 CB GLN A 198 -5.491 15.660 46.341 1.00 42.45 C ATOM 1566 CG GLN A 198 -6.460 16.228 47.408 1.00 47.00 C ATOM 1567 CD GLN A 198 -5.806 17.111 48.461 1.00 48.02 C ATOM 1568 OE1 GLN A 198 -4.688 17.610 48.301 1.00 56.57 O ATOM 1569 NE2 GLN A 198 -6.535 17.330 49.555 1.00 59.96 N ATOM 0 H GLN A 198 -4.397 14.719 44.353 1.00 41.30 H new ATOM 0 HA GLN A 198 -6.759 14.298 45.439 1.00 42.43 H new ATOM 0 HB2 GLN A 198 -4.916 15.002 46.762 1.00 42.45 H new ATOM 0 HB3 GLN A 198 -4.918 16.377 46.027 1.00 42.45 H new ATOM 0 HG2 GLN A 198 -7.151 16.740 46.959 1.00 47.00 H new ATOM 0 HG3 GLN A 198 -6.900 15.487 47.854 1.00 47.00 H new ATOM 0 HE21 GLN A 198 -7.310 16.967 49.635 1.00 59.96 H new ATOM 0 HE22 GLN A 198 -6.230 17.835 50.181 1.00 59.96 H new ATOM 1570 N ASP A 199 -8.321 15.795 44.292 1.00 40.80 N ATOM 1571 CA ASP A 199 -9.275 16.738 43.701 1.00 40.49 C ATOM 1572 C ASP A 199 -9.290 17.968 44.596 1.00 41.50 C ATOM 1573 O ASP A 199 -9.516 17.836 45.804 1.00 40.37 O ATOM 1574 CB ASP A 199 -10.696 16.157 43.634 1.00 41.16 C ATOM 1575 CG ASP A 199 -10.825 14.969 42.688 1.00 47.21 C ATOM 1576 OD1 ASP A 199 -9.950 14.750 41.837 1.00 44.91 O ATOM 1577 OD2 ASP A 199 -11.840 14.240 42.768 1.00 53.09 O ATOM 0 H ASP A 199 -8.679 15.062 44.564 1.00 40.80 H new ATOM 0 HA ASP A 199 -9.003 16.942 42.793 1.00 40.49 H new ATOM 0 HB2 ASP A 199 -10.968 15.883 44.524 1.00 41.16 H new ATOM 0 HB3 ASP A 199 -11.309 16.854 43.352 1.00 41.16 H new ATOM 1578 N ARG A 200 -9.028 19.146 44.020 1.00 39.78 N ATOM 1579 CA ARG A 200 -8.988 20.414 44.766 1.00 38.32 C ATOM 1580 C ARG A 200 -9.980 21.515 44.333 1.00 39.81 C ATOM 1581 O ARG A 200 -9.783 22.686 44.650 1.00 38.79 O ATOM 1582 CB ARG A 200 -7.540 20.881 44.889 1.00 40.88 C ATOM 1583 CG ARG A 200 -6.824 20.117 45.996 1.00 39.15 C ATOM 1584 CD ARG A 200 -5.332 20.179 45.914 1.00 41.19 C ATOM 1585 NE ARG A 200 -4.816 19.332 44.836 1.00 42.70 N ATOM 1586 CZ ARG A 200 -4.094 19.703 43.769 1.00 42.17 C ATOM 1587 NH1 ARG A 200 -3.693 20.946 43.562 1.00 39.27 N ATOM 1588 NH2 ARG A 200 -3.704 18.765 42.922 1.00 40.74 N ATOM 0 H ARG A 200 -8.867 19.234 43.180 1.00 39.78 H new ATOM 0 HA ARG A 200 -9.337 20.217 45.649 1.00 38.32 H new ATOM 0 HB2 ARG A 200 -7.079 20.747 44.046 1.00 40.88 H new ATOM 0 HB3 ARG A 200 -7.516 21.832 45.078 1.00 40.88 H new ATOM 0 HG2 ARG A 200 -7.106 20.470 46.854 1.00 39.15 H new ATOM 0 HG3 ARG A 200 -7.102 19.188 45.966 1.00 39.15 H new ATOM 0 HD2 ARG A 200 -5.053 21.096 45.767 1.00 41.19 H new ATOM 0 HD3 ARG A 200 -4.949 19.898 46.759 1.00 41.19 H new ATOM 0 HE ARG A 200 -4.999 18.494 44.895 1.00 42.70 H new ATOM 0 HH11 ARG A 200 -3.894 21.562 44.127 1.00 39.27 H new ATOM 0 HH12 ARG A 200 -3.231 21.138 42.862 1.00 39.27 H new ATOM 0 HH21 ARG A 200 -3.915 17.943 43.064 1.00 40.74 H new ATOM 0 HH22 ARG A 200 -3.240 18.977 42.230 1.00 40.74 H new ATOM 1589 N GLY A 201 -11.060 21.122 43.654 1.00 39.09 N ATOM 1590 CA GLY A 201 -12.172 22.024 43.350 1.00 39.88 C ATOM 1591 C GLY A 201 -12.341 22.537 41.939 1.00 39.25 C ATOM 1592 O GLY A 201 -13.260 23.317 41.709 1.00 40.00 O ATOM 0 H GLY A 201 -11.168 20.322 43.356 1.00 39.09 H new ATOM 0 HA2 GLY A 201 -12.993 21.569 43.595 1.00 39.88 H new ATOM 0 HA3 GLY A 201 -12.090 22.795 43.933 1.00 39.88 H new ATOM 1593 N ALA A 202 -11.459 22.145 41.003 1.00 37.94 N ATOM 1594 CA ALA A 202 -11.636 22.521 39.592 1.00 38.35 C ATOM 1595 C ALA A 202 -13.024 22.068 39.090 1.00 42.01 C ATOM 1596 O ALA A 202 -13.678 22.810 38.380 1.00 38.62 O ATOM 1597 CB ALA A 202 -10.472 22.019 38.716 1.00 38.60 C ATOM 0 H ALA A 202 -10.762 21.668 41.164 1.00 37.94 H new ATOM 0 HA ALA A 202 -11.610 23.488 39.519 1.00 38.35 H new ATOM 0 HB1 ALA A 202 -10.622 22.284 37.795 1.00 38.60 H new ATOM 0 HB2 ALA A 202 -9.640 22.404 39.032 1.00 38.60 H new ATOM 0 HB3 ALA A 202 -10.421 21.052 38.769 1.00 38.60 H new ATOM 1598 N ARG A 203 -13.498 20.906 39.545 1.00 47.10 N ATOM 1599 CA AARG A 203 -14.823 20.356 39.185 0.50 50.34 C ATOM 1600 CA BARG A 203 -14.842 20.413 39.180 0.50 51.17 C ATOM 1601 C ARG A 203 -15.876 20.352 40.294 1.00 53.33 C ATOM 1602 O ARG A 203 -17.057 20.136 40.007 1.00 57.65 O ATOM 1603 CB AARG A 203 -14.665 18.957 38.574 0.50 50.34 C ATOM 1604 CB BARG A 203 -14.713 19.082 38.485 0.50 51.84 C ATOM 1605 CG AARG A 203 -14.925 18.926 37.081 0.50 46.01 C ATOM 1606 CG BARG A 203 -14.082 19.248 37.126 0.50 51.43 C ATOM 1607 CD AARG A 203 -14.569 17.599 36.491 0.50 40.90 C ATOM 1608 CD BARG A 203 -14.121 17.971 36.378 0.50 51.23 C ATOM 1609 NE AARG A 203 -15.567 17.115 35.543 0.50 38.94 N ATOM 1610 NE BARG A 203 -13.276 16.974 37.020 0.50 51.35 N ATOM 1611 CZ AARG A 203 -15.397 16.070 34.734 0.50 34.81 C ATOM 1612 CZ BARG A 203 -13.231 15.691 36.695 0.50 46.21 C ATOM 1613 NH1AARG A 203 -16.385 15.713 33.926 0.50 35.11 N ATOM 1614 NH1BARG A 203 -12.390 14.903 37.353 0.50 37.45 N ATOM 1615 NH2AARG A 203 -14.255 15.372 34.716 0.50 37.62 N ATOM 1616 NH2BARG A 203 -14.013 15.203 35.724 0.50 44.18 N ATOM 0 H AARG A 203 -13.055 20.401 40.082 0.50 47.10 H new ATOM 0 H BARG A 203 -13.060 20.383 40.068 0.50 47.10 H new ATOM 0 HA AARG A 203 -15.179 20.978 38.531 0.50 51.17 H new ATOM 0 HA BARG A 203 -15.204 21.089 38.586 0.50 51.17 H new ATOM 0 HB2AARG A 203 -13.767 18.634 38.747 0.50 51.84 H new ATOM 0 HB2BARG A 203 -14.176 18.481 39.025 0.50 51.84 H new ATOM 0 HB3AARG A 203 -15.276 18.346 39.016 0.50 51.84 H new ATOM 0 HB3BARG A 203 -15.588 18.674 38.392 0.50 51.84 H new ATOM 0 HG2AARG A 203 -15.861 19.117 36.910 0.50 51.43 H new ATOM 0 HG2BARG A 203 -14.550 19.936 36.628 0.50 51.43 H new ATOM 0 HG3AARG A 203 -14.409 19.623 36.647 0.50 51.43 H new ATOM 0 HG3BARG A 203 -13.164 19.544 37.224 0.50 51.43 H new ATOM 0 HD2AARG A 203 -13.711 17.668 36.044 0.50 51.23 H new ATOM 0 HD2BARG A 203 -15.034 17.646 36.330 0.50 51.23 H new ATOM 0 HD3AARG A 203 -14.465 16.950 37.204 0.50 51.23 H new ATOM 0 HD3BARG A 203 -13.823 18.115 35.466 0.50 51.23 H new ATOM 0 HE AARG A 203 -16.317 17.533 35.504 0.50 51.35 H new ATOM 0 HE BARG A 203 -12.766 17.239 37.660 0.50 51.35 H new ATOM 0 HH11AARG A 203 -17.123 16.154 33.929 0.50 37.45 H new ATOM 0 HH11BARG A 203 -11.891 15.229 37.973 0.50 37.45 H new ATOM 0 HH12AARG A 203 -16.288 15.040 33.399 0.50 37.45 H new ATOM 0 HH12BARG A 203 -12.344 14.066 37.159 0.50 37.45 H new ATOM 0 HH21AARG A 203 -13.607 15.594 35.236 0.50 44.18 H new ATOM 0 HH21BARG A 203 -14.552 15.724 35.303 0.50 44.18 H new ATOM 0 HH22AARG A 203 -14.169 14.701 34.185 0.50 44.18 H new ATOM 0 HH22BARG A 203 -13.976 14.368 35.521 0.50 44.18 H new ATOM 1617 N SER A 204 -15.469 20.567 41.544 1.00 58.31 N ATOM 1618 CA SER A 204 -16.424 20.595 42.679 1.00 63.29 C ATOM 1619 C SER A 204 -15.954 21.504 43.819 1.00 65.88 C ATOM 1620 O SER A 204 -16.729 21.822 44.739 1.00 70.11 O ATOM 1621 CB SER A 204 -16.697 19.174 43.209 1.00 65.13 C ATOM 1622 OG SER A 204 -17.323 18.358 42.221 1.00 67.92 O ATOM 0 H SER A 204 -14.649 20.700 41.766 1.00 58.31 H new ATOM 0 HA SER A 204 -17.251 20.967 42.334 1.00 63.29 H new ATOM 0 HB2 SER A 204 -15.862 18.765 43.486 1.00 65.13 H new ATOM 0 HB3 SER A 204 -17.263 19.224 43.995 1.00 65.13 H new ATOM 0 HG SER A 204 -17.458 17.591 42.536 1.00 67.92 H new TER 1623 SER A 204 ATOM 1624 N GLY B 5 -38.396 43.859 14.695 1.00 86.26 N ATOM 1625 CA GLY B 5 -38.486 43.631 16.168 1.00 86.49 C ATOM 1626 C GLY B 5 -37.746 42.372 16.593 1.00 86.82 C ATOM 1627 O GLY B 5 -36.605 42.166 16.179 1.00 86.98 O ATOM 0 HA2 GLY B 5 -38.117 44.396 16.637 1.00 86.49 H new ATOM 0 HA3 GLY B 5 -39.418 43.561 16.428 1.00 86.49 H new ATOM 1628 N THR B 6 -38.384 41.548 17.431 1.00 86.99 N ATOM 1629 CA THR B 6 -37.812 40.267 17.898 1.00 87.02 C ATOM 1630 C THR B 6 -37.891 39.175 16.819 1.00 87.16 C ATOM 1631 O THR B 6 -36.985 38.340 16.723 1.00 87.58 O ATOM 1632 CB THR B 6 -38.504 39.749 19.181 1.00 86.52 C ATOM 0 H THR B 6 -39.166 41.713 17.749 1.00 86.99 H new ATOM 0 HA THR B 6 -36.881 40.455 18.096 1.00 87.02 H new ATOM 1633 N GLU B 7 -38.977 39.176 16.037 1.00 86.92 N ATOM 1634 CA GLU B 7 -39.181 38.223 14.925 1.00 86.51 C ATOM 1635 C GLU B 7 -38.153 38.417 13.798 1.00 85.74 C ATOM 1636 O GLU B 7 -37.601 37.434 13.288 1.00 85.84 O ATOM 1637 CB GLU B 7 -40.603 38.348 14.350 1.00 86.03 C ATOM 0 H GLU B 7 -39.624 39.734 16.135 1.00 86.92 H new ATOM 0 HA GLU B 7 -39.058 37.335 15.295 1.00 86.51 H new ATOM 1638 N HIS B 8 -37.921 39.681 13.422 1.00 84.52 N ATOM 1639 CA HIS B 8 -36.936 40.074 12.390 1.00 83.25 C ATOM 1640 C HIS B 8 -35.521 39.610 12.752 1.00 82.73 C ATOM 1641 O HIS B 8 -34.788 39.129 11.887 1.00 82.86 O ATOM 1642 CB HIS B 8 -36.941 41.602 12.199 1.00 82.90 C ATOM 1643 CG HIS B 8 -36.077 42.089 11.073 1.00 82.44 C ATOM 1644 ND1 HIS B 8 -34.735 42.366 11.229 1.00 81.82 N ATOM 1645 CD2 HIS B 8 -36.372 42.374 9.782 1.00 82.11 C ATOM 1646 CE1 HIS B 8 -34.238 42.788 10.079 1.00 82.31 C ATOM 1647 NE2 HIS B 8 -35.211 42.803 9.185 1.00 81.76 N ATOM 0 H HIS B 8 -38.338 40.351 13.764 1.00 84.52 H new ATOM 0 HA HIS B 8 -37.196 39.641 11.562 1.00 83.25 H new ATOM 0 HB2 HIS B 8 -37.853 41.894 12.042 1.00 82.90 H new ATOM 0 HB3 HIS B 8 -36.646 42.021 13.023 1.00 82.90 H new ATOM 0 HD2 HIS B 8 -37.205 42.294 9.376 1.00 82.11 H new ATOM 0 HE1 HIS B 8 -33.354 43.033 9.925 1.00 82.31 H new ATOM 0 HE2 HIS B 8 -35.131 43.042 8.363 1.00 81.76 H new ATOM 1648 N ASP B 9 -35.162 39.752 14.029 1.00 82.00 N ATOM 1649 CA ASP B 9 -33.846 39.340 14.536 1.00 81.39 C ATOM 1650 C ASP B 9 -33.656 37.817 14.580 1.00 79.86 C ATOM 1651 O ASP B 9 -32.523 37.341 14.434 1.00 80.10 O ATOM 1652 CB ASP B 9 -33.580 39.943 15.925 1.00 82.11 C ATOM 1653 CG ASP B 9 -33.537 41.472 15.917 1.00 85.65 C ATOM 1654 OD1 ASP B 9 -33.785 42.104 14.859 1.00 87.75 O ATOM 1655 OD2 ASP B 9 -33.267 42.046 16.994 1.00 92.63 O ATOM 0 H ASP B 9 -35.676 40.091 14.630 1.00 82.00 H new ATOM 0 HA ASP B 9 -33.199 39.685 13.901 1.00 81.39 H new ATOM 0 HB2 ASP B 9 -34.271 39.647 16.538 1.00 82.11 H new ATOM 0 HB3 ASP B 9 -32.737 39.603 16.263 1.00 82.11 H new ATOM 1656 N ALA B 10 -34.740 37.066 14.804 1.00 77.35 N ATOM 1657 CA ALA B 10 -34.686 35.591 14.810 1.00 76.05 C ATOM 1658 C ALA B 10 -34.442 35.050 13.392 1.00 74.66 C ATOM 1659 O ALA B 10 -33.639 34.126 13.204 1.00 74.10 O ATOM 1660 CB ALA B 10 -35.962 35.001 15.388 1.00 75.77 C ATOM 0 H ALA B 10 -35.522 37.390 14.956 1.00 77.35 H new ATOM 0 HA ALA B 10 -33.944 35.323 15.375 1.00 76.05 H new ATOM 0 HB1 ALA B 10 -35.903 34.033 15.381 1.00 75.77 H new ATOM 0 HB2 ALA B 10 -36.078 35.311 16.300 1.00 75.77 H new ATOM 0 HB3 ALA B 10 -36.720 35.282 14.852 1.00 75.77 H new HETATM 1661 N MSE B 11 -35.151 35.631 12.417 1.00 72.86 N HETATM 1662 CA MSE B 11 -35.012 35.277 10.997 1.00 70.90 C HETATM 1663 C MSE B 11 -33.621 35.639 10.471 1.00 68.47 C HETATM 1664 O MSE B 11 -33.031 34.851 9.734 1.00 67.78 O HETATM 1665 CB MSE B 11 -36.103 35.956 10.145 1.00 70.38 C HETATM 1666 CG MSE B 11 -36.041 35.679 8.630 1.00 70.58 C HETATM 1667 SE MSE B 11 -36.098 33.816 8.102 0.75 65.78 SE HETATM 1668 CE MSE B 11 -38.013 33.480 8.373 1.00 69.40 C HETATM 0 H MSE B 11 -35.732 36.248 12.563 1.00 72.86 H new HETATM 0 HA MSE B 11 -35.124 34.316 10.924 1.00 70.90 H new HETATM 0 HB2 MSE B 11 -36.970 35.671 10.473 1.00 70.38 H new HETATM 0 HB3 MSE B 11 -36.048 36.914 10.284 1.00 70.38 H new HETATM 0 HG2 MSE B 11 -36.781 36.140 8.205 1.00 70.58 H new HETATM 0 HG3 MSE B 11 -35.225 36.071 8.281 1.00 70.58 H new HETATM 0 HE1 MSE B 11 -38.216 32.559 8.145 1.00 69.40 H new HETATM 0 HE2 MSE B 11 -38.242 33.641 9.302 1.00 69.40 H new HETATM 0 HE3 MSE B 11 -38.529 34.074 7.806 1.00 69.40 H new ATOM 1669 N ARG B 12 -33.114 36.816 10.850 1.00 66.09 N ATOM 1670 CA ARG B 12 -31.772 37.272 10.441 1.00 63.61 C ATOM 1671 C ARG B 12 -30.688 36.311 10.931 1.00 60.81 C ATOM 1672 O ARG B 12 -29.774 35.977 10.174 1.00 58.97 O ATOM 1673 CB ARG B 12 -31.476 38.693 10.931 1.00 63.52 C ATOM 1674 CG ARG B 12 -30.285 39.326 10.230 1.00 65.20 C ATOM 1675 CD ARG B 12 -30.119 40.761 10.617 1.00 65.08 C ATOM 1676 NE ARG B 12 -28.950 41.377 9.990 1.00 63.51 N ATOM 1677 CZ ARG B 12 -27.675 41.211 10.373 1.00 64.51 C ATOM 1678 NH1 ARG B 12 -27.336 40.393 11.384 1.00 62.42 N ATOM 1679 NH2 ARG B 12 -26.709 41.855 9.710 1.00 65.04 N ATOM 0 H ARG B 12 -33.535 37.374 11.351 1.00 66.09 H new ATOM 0 HA ARG B 12 -31.764 37.283 9.471 1.00 63.61 H new ATOM 0 HB2 ARG B 12 -32.259 39.248 10.792 1.00 63.52 H new ATOM 0 HB3 ARG B 12 -31.309 38.672 11.886 1.00 63.52 H new ATOM 0 HG2 ARG B 12 -29.479 38.835 10.452 1.00 65.20 H new ATOM 0 HG3 ARG B 12 -30.401 39.260 9.269 1.00 65.20 H new ATOM 0 HD2 ARG B 12 -30.915 41.255 10.366 1.00 65.08 H new ATOM 0 HD3 ARG B 12 -30.037 40.826 11.581 1.00 65.08 H new ATOM 0 HE ARG B 12 -29.093 41.891 9.316 1.00 63.51 H new ATOM 0 HH11 ARG B 12 -27.945 39.957 11.807 1.00 62.42 H new ATOM 0 HH12 ARG B 12 -26.510 40.306 11.608 1.00 62.42 H new ATOM 0 HH21 ARG B 12 -26.909 42.367 9.048 1.00 65.04 H new ATOM 0 HH22 ARG B 12 -25.888 41.757 9.945 1.00 65.04 H new ATOM 1680 N ALA B 13 -30.816 35.870 12.183 1.00 58.79 N ATOM 1681 CA ALA B 13 -29.909 34.879 12.779 1.00 57.23 C ATOM 1682 C ALA B 13 -30.038 33.509 12.094 1.00 55.52 C ATOM 1683 O ALA B 13 -29.042 32.785 11.957 1.00 54.65 O ATOM 1684 CB ALA B 13 -30.161 34.749 14.279 1.00 57.37 C ATOM 0 H ALA B 13 -31.435 36.138 12.716 1.00 58.79 H new ATOM 0 HA ALA B 13 -29.002 35.195 12.641 1.00 57.23 H new ATOM 0 HB1 ALA B 13 -29.554 34.092 14.654 1.00 57.37 H new ATOM 0 HB2 ALA B 13 -30.013 35.606 14.708 1.00 57.37 H new ATOM 0 HB3 ALA B 13 -31.076 34.466 14.430 1.00 57.37 H new ATOM 1685 N ARG B 14 -31.263 33.160 11.684 1.00 53.24 N ATOM 1686 CA ARG B 14 -31.525 31.923 10.924 1.00 51.29 C ATOM 1687 C ARG B 14 -30.836 31.990 9.557 1.00 48.36 C ATOM 1688 O ARG B 14 -30.229 31.004 9.121 1.00 48.01 O ATOM 1689 CB ARG B 14 -33.027 31.685 10.723 1.00 50.05 C ATOM 0 H ARG B 14 -31.966 33.631 11.837 1.00 53.24 H new ATOM 0 HA ARG B 14 -31.167 31.184 11.440 1.00 51.29 H new ATOM 1690 N LEU B 15 -30.940 33.149 8.902 1.00 46.17 N ATOM 1691 CA LEU B 15 -30.296 33.385 7.608 1.00 44.65 C ATOM 1692 C LEU B 15 -28.765 33.350 7.715 1.00 43.52 C ATOM 1693 O LEU B 15 -28.110 32.784 6.839 1.00 42.56 O ATOM 1694 CB LEU B 15 -30.756 34.696 6.982 1.00 43.41 C ATOM 1695 CG LEU B 15 -32.224 34.757 6.533 1.00 47.45 C ATOM 1696 CD1 LEU B 15 -32.601 36.200 6.200 1.00 45.62 C ATOM 1697 CD2 LEU B 15 -32.513 33.816 5.352 1.00 48.36 C ATOM 0 H LEU B 15 -31.387 33.822 9.197 1.00 46.17 H new ATOM 0 HA LEU B 15 -30.570 32.659 7.026 1.00 44.65 H new ATOM 0 HB2 LEU B 15 -30.603 35.409 7.622 1.00 43.41 H new ATOM 0 HB3 LEU B 15 -30.194 34.880 6.213 1.00 43.41 H new ATOM 0 HG LEU B 15 -32.776 34.447 7.268 1.00 47.45 H new ATOM 0 HD11 LEU B 15 -33.528 36.235 5.917 1.00 45.62 H new ATOM 0 HD12 LEU B 15 -32.482 36.755 6.986 1.00 45.62 H new ATOM 0 HD13 LEU B 15 -32.032 36.526 5.485 1.00 45.62 H new ATOM 0 HD21 LEU B 15 -33.448 33.887 5.103 1.00 48.36 H new ATOM 0 HD22 LEU B 15 -31.958 34.065 4.597 1.00 48.36 H new ATOM 0 HD23 LEU B 15 -32.316 32.902 5.611 1.00 48.36 H new ATOM 1698 N VAL B 16 -28.206 33.949 8.777 1.00 42.03 N ATOM 1699 CA VAL B 16 -26.751 33.910 9.013 1.00 40.15 C ATOM 1700 C VAL B 16 -26.278 32.477 9.228 1.00 40.81 C ATOM 1701 O VAL B 16 -25.211 32.100 8.706 1.00 39.63 O ATOM 1702 CB VAL B 16 -26.293 34.859 10.163 1.00 39.15 C ATOM 1703 CG1 VAL B 16 -24.809 34.688 10.469 1.00 39.15 C ATOM 1704 CG2 VAL B 16 -26.565 36.289 9.786 1.00 39.77 C ATOM 0 H VAL B 16 -28.650 34.383 9.372 1.00 42.03 H new ATOM 0 HA VAL B 16 -26.324 34.251 8.211 1.00 40.15 H new ATOM 0 HB VAL B 16 -26.797 34.626 10.958 1.00 39.15 H new ATOM 0 HG11 VAL B 16 -24.555 35.290 11.186 1.00 39.15 H new ATOM 0 HG12 VAL B 16 -24.638 33.772 10.740 1.00 39.15 H new ATOM 0 HG13 VAL B 16 -24.289 34.893 9.676 1.00 39.15 H new ATOM 0 HG21 VAL B 16 -26.278 36.874 10.505 1.00 39.77 H new ATOM 0 HG22 VAL B 16 -26.077 36.509 8.977 1.00 39.77 H new ATOM 0 HG23 VAL B 16 -27.515 36.408 9.633 1.00 39.77 H new ATOM 1705 N ASP B 17 -27.056 31.677 9.967 1.00 42.04 N ATOM 1706 CA ASP B 17 -26.728 30.251 10.205 1.00 42.73 C ATOM 1707 C ASP B 17 -26.729 29.419 8.908 1.00 40.46 C ATOM 1708 O ASP B 17 -25.833 28.588 8.706 1.00 43.57 O ATOM 1709 CB ASP B 17 -27.682 29.588 11.245 1.00 44.62 C ATOM 1710 CG ASP B 17 -27.422 30.043 12.684 1.00 51.22 C ATOM 1711 OD2 ASP B 17 -26.242 30.040 13.127 1.00 56.92 O ATOM 0 H ASP B 17 -27.784 31.937 10.344 1.00 42.04 H new ATOM 0 HA ASP B 17 -25.828 30.254 10.567 1.00 42.73 H new ATOM 0 HB2 ASP B 17 -28.600 29.793 11.009 1.00 44.62 H new ATOM 0 HB3 ASP B 17 -27.585 28.624 11.195 1.00 44.62 H new ATOM 1712 N VAL B 18 -27.740 29.619 8.071 1.00 39.96 N ATOM 1713 CA VAL B 18 -27.838 28.924 6.774 1.00 40.33 C ATOM 1714 C VAL B 18 -26.641 29.348 5.901 1.00 40.91 C ATOM 1715 O VAL B 18 -25.960 28.489 5.328 1.00 37.84 O ATOM 1716 CB VAL B 18 -29.187 29.204 6.025 1.00 40.90 C ATOM 1717 CG1 VAL B 18 -29.241 28.502 4.650 1.00 36.06 C ATOM 1718 CG2 VAL B 18 -30.376 28.762 6.856 1.00 40.43 C ATOM 0 H VAL B 18 -28.391 30.158 8.231 1.00 39.96 H new ATOM 0 HA VAL B 18 -27.820 27.969 6.944 1.00 40.33 H new ATOM 0 HB VAL B 18 -29.230 30.163 5.884 1.00 40.90 H new ATOM 0 HG11 VAL B 18 -30.088 28.698 4.219 1.00 36.06 H new ATOM 0 HG12 VAL B 18 -28.514 28.823 4.094 1.00 36.06 H new ATOM 0 HG13 VAL B 18 -29.156 27.544 4.772 1.00 36.06 H new ATOM 0 HG21 VAL B 18 -31.196 28.946 6.371 1.00 40.43 H new ATOM 0 HG22 VAL B 18 -30.312 27.810 7.033 1.00 40.43 H new ATOM 0 HG23 VAL B 18 -30.382 29.247 7.696 1.00 40.43 H new ATOM 1719 N ALA B 19 -26.392 30.664 5.825 1.00 39.32 N ATOM 1720 CA ALA B 19 -25.269 31.208 5.033 1.00 37.82 C ATOM 1721 C ALA B 19 -23.920 30.685 5.524 1.00 36.02 C ATOM 1722 O ALA B 19 -23.078 30.327 4.720 1.00 35.34 O ATOM 1723 CB ALA B 19 -25.297 32.749 4.967 1.00 35.43 C ATOM 0 H ALA B 19 -26.862 31.262 6.226 1.00 39.32 H new ATOM 0 HA ALA B 19 -25.386 30.886 4.125 1.00 37.82 H new ATOM 0 HB1 ALA B 19 -24.546 33.064 4.440 1.00 35.43 H new ATOM 0 HB2 ALA B 19 -26.125 33.040 4.555 1.00 35.43 H new ATOM 0 HB3 ALA B 19 -25.237 33.113 5.864 1.00 35.43 H new ATOM 1724 N GLN B 20 -23.754 30.571 6.838 1.00 36.79 N ATOM 1725 CA GLN B 20 -22.546 30.014 7.427 1.00 37.91 C ATOM 1726 C GLN B 20 -22.307 28.562 6.980 1.00 37.95 C ATOM 1727 O GLN B 20 -21.188 28.202 6.639 1.00 37.82 O ATOM 1728 CB GLN B 20 -22.629 30.103 8.950 1.00 39.35 C ATOM 1729 CG GLN B 20 -21.397 29.651 9.658 1.00 52.56 C ATOM 1730 CD GLN B 20 -21.549 29.627 11.174 1.00 63.15 C ATOM 1731 OE1 GLN B 20 -22.384 30.513 11.719 1.00 77.50 O flip ATOM 1732 NE2 GLN B 20 -20.938 28.788 11.839 1.00 62.53 N flip ATOM 0 H GLN B 20 -24.343 30.816 7.414 1.00 36.79 H new ATOM 0 HA GLN B 20 -21.790 30.535 7.115 1.00 37.91 H new ATOM 0 HB2 GLN B 20 -22.815 31.022 9.200 1.00 39.35 H new ATOM 0 HB3 GLN B 20 -23.379 29.569 9.255 1.00 39.35 H new ATOM 0 HG2 GLN B 20 -21.161 28.762 9.349 1.00 52.56 H new ATOM 0 HG3 GLN B 20 -20.662 30.238 9.422 1.00 52.56 H new ATOM 0 HE21 GLN B 20 -20.408 28.234 11.450 1.00 62.53 H new ATOM 0 HE22 GLN B 20 -21.042 28.757 12.692 1.00 62.53 H new ATOM 1733 N ALA B 21 -23.354 27.748 7.018 1.00 36.89 N ATOM 1734 CA ALA B 21 -23.314 26.351 6.559 1.00 37.63 C ATOM 1735 C ALA B 21 -22.897 26.263 5.087 1.00 37.41 C ATOM 1736 O ALA B 21 -22.084 25.412 4.728 1.00 40.20 O ATOM 1737 CB ALA B 21 -24.706 25.681 6.736 1.00 36.22 C ATOM 0 H ALA B 21 -24.124 27.990 7.315 1.00 36.89 H new ATOM 0 HA ALA B 21 -22.657 25.885 7.099 1.00 37.63 H new ATOM 0 HB1 ALA B 21 -24.664 24.762 6.430 1.00 36.22 H new ATOM 0 HB2 ALA B 21 -24.957 25.698 7.673 1.00 36.22 H new ATOM 0 HB3 ALA B 21 -25.367 26.165 6.216 1.00 36.22 H new ATOM 1738 N ILE B 22 -23.461 27.133 4.247 1.00 34.78 N ATOM 1739 CA ILE B 22 -23.112 27.164 2.814 1.00 35.41 C ATOM 1740 C ILE B 22 -21.614 27.504 2.643 1.00 36.50 C ATOM 1741 O ILE B 22 -20.919 26.840 1.862 1.00 36.16 O ATOM 1742 CB ILE B 22 -23.970 28.138 2.034 1.00 33.63 C ATOM 1743 CG1 ILE B 22 -25.434 27.662 2.006 1.00 34.55 C ATOM 1744 CG2 ILE B 22 -23.472 28.284 0.576 1.00 34.06 C ATOM 1745 CD1 ILE B 22 -26.409 28.679 1.479 1.00 31.16 C ATOM 0 H ILE B 22 -24.048 27.715 4.482 1.00 34.78 H new ATOM 0 HA ILE B 22 -23.286 26.281 2.452 1.00 35.41 H new ATOM 0 HB ILE B 22 -23.907 28.997 2.480 1.00 33.63 H new ATOM 0 HG12 ILE B 22 -25.492 26.862 1.461 1.00 34.55 H new ATOM 0 HG13 ILE B 22 -25.699 27.412 2.905 1.00 34.55 H new ATOM 0 HG21 ILE B 22 -24.039 28.912 0.102 1.00 34.06 H new ATOM 0 HG22 ILE B 22 -22.559 28.610 0.577 1.00 34.06 H new ATOM 0 HG23 ILE B 22 -23.506 27.421 0.134 1.00 34.06 H new ATOM 0 HD11 ILE B 22 -27.305 28.307 1.493 1.00 31.16 H new ATOM 0 HD12 ILE B 22 -26.381 29.473 2.035 1.00 31.16 H new ATOM 0 HD13 ILE B 22 -26.171 28.914 0.568 1.00 31.16 H new ATOM 1746 N VAL B 23 -21.144 28.528 3.364 1.00 36.07 N ATOM 1747 CA VAL B 23 -19.724 28.936 3.335 1.00 37.79 C ATOM 1748 C VAL B 23 -18.804 27.790 3.771 1.00 39.83 C ATOM 1749 O VAL B 23 -17.801 27.544 3.116 1.00 39.55 O ATOM 1750 CB VAL B 23 -19.447 30.227 4.177 1.00 39.01 C ATOM 1751 CG1 VAL B 23 -17.954 30.459 4.380 1.00 40.45 C ATOM 1752 CG2 VAL B 23 -20.068 31.406 3.495 1.00 33.71 C ATOM 0 H VAL B 23 -21.634 29.007 3.883 1.00 36.07 H new ATOM 0 HA VAL B 23 -19.522 29.155 2.412 1.00 37.79 H new ATOM 0 HB VAL B 23 -19.843 30.109 5.055 1.00 39.01 H new ATOM 0 HG11 VAL B 23 -17.820 31.264 4.904 1.00 40.45 H new ATOM 0 HG12 VAL B 23 -17.569 29.701 4.848 1.00 40.45 H new ATOM 0 HG13 VAL B 23 -17.522 30.559 3.517 1.00 40.45 H new ATOM 0 HG21 VAL B 23 -19.898 32.207 4.015 1.00 33.71 H new ATOM 0 HG22 VAL B 23 -19.684 31.507 2.610 1.00 33.71 H new ATOM 0 HG23 VAL B 23 -21.025 31.268 3.418 1.00 33.71 H new ATOM 1753 N GLU B 24 -19.165 27.063 4.822 1.00 41.49 N ATOM 1754 CA GLU B 24 -18.361 25.906 5.239 1.00 44.48 C ATOM 1755 C GLU B 24 -18.262 24.823 4.170 1.00 45.41 C ATOM 1756 O GLU B 24 -17.225 24.196 4.036 1.00 46.88 O ATOM 1757 CB GLU B 24 -18.893 25.286 6.523 1.00 46.68 C ATOM 1758 CG GLU B 24 -18.723 26.167 7.722 1.00 57.00 C ATOM 1759 CD GLU B 24 -18.974 25.442 9.021 1.00 68.27 C ATOM 1760 OE1 GLU B 24 -18.139 24.569 9.361 1.00 72.95 O ATOM 1761 OE2 GLU B 24 -19.974 25.777 9.707 1.00 75.22 O ATOM 0 H GLU B 24 -19.860 27.215 5.305 1.00 41.49 H new ATOM 0 HA GLU B 24 -17.470 26.259 5.390 1.00 44.48 H new ATOM 0 HB2 GLU B 24 -19.835 25.082 6.410 1.00 46.68 H new ATOM 0 HB3 GLU B 24 -18.438 24.444 6.681 1.00 46.68 H new ATOM 0 HG2 GLU B 24 -17.823 26.529 7.727 1.00 57.00 H new ATOM 0 HG3 GLU B 24 -19.331 26.920 7.654 1.00 57.00 H new ATOM 1762 N GLU B 25 -19.336 24.596 3.430 1.00 45.13 N ATOM 1763 CA GLU B 25 -19.346 23.578 2.388 1.00 47.94 C ATOM 1764 C GLU B 25 -18.595 23.963 1.119 1.00 47.83 C ATOM 1765 O GLU B 25 -17.886 23.131 0.557 1.00 48.87 O ATOM 1766 CB GLU B 25 -20.789 23.252 1.986 1.00 47.80 C ATOM 1767 CG GLU B 25 -21.597 22.592 3.079 1.00 51.43 C ATOM 1768 CD GLU B 25 -23.106 22.603 2.814 1.00 54.21 C ATOM 1769 OE1 GLU B 25 -23.541 22.841 1.658 1.00 65.93 O ATOM 1770 OE2 GLU B 25 -23.847 22.361 3.791 1.00 64.52 O ATOM 0 H GLU B 25 -20.077 25.024 3.515 1.00 45.13 H new ATOM 0 HA GLU B 25 -18.891 22.816 2.779 1.00 47.94 H new ATOM 0 HB2 GLU B 25 -21.233 24.072 1.718 1.00 47.80 H new ATOM 0 HB3 GLU B 25 -20.775 22.670 1.210 1.00 47.80 H new ATOM 0 HG2 GLU B 25 -21.300 21.674 3.181 1.00 51.43 H new ATOM 0 HG3 GLU B 25 -21.420 23.043 3.919 1.00 51.43 H new ATOM 1771 N ARG B 26 -18.785 25.204 0.664 1.00 44.33 N ATOM 1772 CA ARG B 26 -18.309 25.663 -0.661 1.00 44.05 C ATOM 1773 C ARG B 26 -17.563 26.997 -0.704 1.00 41.78 C ATOM 1774 O ARG B 26 -17.176 27.434 -1.785 1.00 42.46 O ATOM 1775 CB ARG B 26 -19.544 25.872 -1.546 1.00 44.10 C ATOM 1776 CG ARG B 26 -20.632 24.841 -1.412 1.00 52.86 C ATOM 1777 CD ARG B 26 -21.898 25.276 -2.094 1.00 58.48 C ATOM 1778 NE ARG B 26 -23.043 24.511 -1.592 1.00 60.07 N ATOM 1779 CZ ARG B 26 -24.325 24.830 -1.781 1.00 66.02 C ATOM 1780 NH1 ARG B 26 -24.681 25.929 -2.456 1.00 68.00 N ATOM 1781 NH2 ARG B 26 -25.274 24.040 -1.273 1.00 72.93 N ATOM 0 H ARG B 26 -19.195 25.812 1.113 1.00 44.33 H new ATOM 0 HA ARG B 26 -17.683 24.978 -0.945 1.00 44.05 H new ATOM 0 HB2 ARG B 26 -19.921 26.743 -1.344 1.00 44.10 H new ATOM 0 HB3 ARG B 26 -19.256 25.895 -2.472 1.00 44.10 H new ATOM 0 HG2 ARG B 26 -20.331 24.001 -1.793 1.00 52.86 H new ATOM 0 HG3 ARG B 26 -20.810 24.678 -0.472 1.00 52.86 H new ATOM 0 HD2 ARG B 26 -22.044 26.223 -1.943 1.00 58.48 H new ATOM 0 HD3 ARG B 26 -21.814 25.151 -3.052 1.00 58.48 H new ATOM 0 HE ARG B 26 -22.875 23.799 -1.139 1.00 60.07 H new ATOM 0 HH11 ARG B 26 -24.077 26.449 -2.780 1.00 68.00 H new ATOM 0 HH12 ARG B 26 -25.513 26.115 -2.566 1.00 68.00 H new ATOM 0 HH21 ARG B 26 -25.056 23.336 -0.830 1.00 72.93 H new ATOM 0 HH22 ARG B 26 -26.103 24.236 -1.388 1.00 72.93 H new ATOM 1782 N GLY B 27 -17.390 27.642 0.448 1.00 42.03 N ATOM 1783 CA GLY B 27 -16.854 28.990 0.535 1.00 42.74 C ATOM 1784 C GLY B 27 -17.905 29.984 0.083 1.00 42.70 C ATOM 1785 O GLY B 27 -18.996 29.606 -0.405 1.00 42.34 O ATOM 0 H GLY B 27 -17.585 27.299 1.212 1.00 42.03 H new ATOM 0 HA2 GLY B 27 -16.584 29.183 1.447 1.00 42.74 H new ATOM 0 HA3 GLY B 27 -16.061 29.069 -0.018 1.00 42.74 H new ATOM 1786 N GLY B 28 -17.586 31.265 0.261 1.00 42.34 N ATOM 1787 CA GLY B 28 -18.382 32.349 -0.327 1.00 44.41 C ATOM 1788 C GLY B 28 -18.503 32.137 -1.837 1.00 45.56 C ATOM 1789 O GLY B 28 -19.537 32.427 -2.445 1.00 44.86 O ATOM 0 H GLY B 28 -16.910 31.531 0.721 1.00 42.34 H new ATOM 0 HA2 GLY B 28 -19.263 32.371 0.077 1.00 44.41 H new ATOM 0 HA3 GLY B 28 -17.964 33.205 -0.144 1.00 44.41 H new ATOM 1790 N ALA B 29 -17.467 31.557 -2.452 1.00 47.74 N ATOM 1791 CA ALA B 29 -17.507 31.175 -3.874 1.00 47.08 C ATOM 1792 C ALA B 29 -18.788 30.407 -4.303 1.00 46.43 C ATOM 1793 O ALA B 29 -19.217 30.536 -5.437 1.00 44.34 O ATOM 1794 CB ALA B 29 -16.236 30.355 -4.219 1.00 48.71 C ATOM 0 H ALA B 29 -16.724 31.374 -2.061 1.00 47.74 H new ATOM 0 HA ALA B 29 -17.531 32.002 -4.380 1.00 47.08 H new ATOM 0 HB1 ALA B 29 -16.258 30.101 -5.155 1.00 48.71 H new ATOM 0 HB2 ALA B 29 -15.447 30.893 -4.049 1.00 48.71 H new ATOM 0 HB3 ALA B 29 -16.206 29.557 -3.669 1.00 48.71 H new ATOM 1795 N GLY B 30 -19.382 29.617 -3.396 1.00 46.78 N ATOM 1796 CA GLY B 30 -20.651 28.891 -3.639 1.00 45.82 C ATOM 1797 C GLY B 30 -21.909 29.445 -2.949 1.00 46.35 C ATOM 1798 O GLY B 30 -22.967 28.803 -3.013 1.00 45.53 O ATOM 0 H GLY B 30 -19.058 29.484 -2.611 1.00 46.78 H new ATOM 0 HA2 GLY B 30 -20.812 28.876 -4.595 1.00 45.82 H new ATOM 0 HA3 GLY B 30 -20.532 27.971 -3.357 1.00 45.82 H new ATOM 1799 N LEU B 31 -21.821 30.621 -2.310 1.00 46.97 N ATOM 1800 CA LEU B 31 -22.963 31.218 -1.590 1.00 47.70 C ATOM 1801 C LEU B 31 -23.853 31.989 -2.554 1.00 52.26 C ATOM 1802 O LEU B 31 -23.752 33.209 -2.660 1.00 50.50 O ATOM 1803 CB LEU B 31 -22.506 32.089 -0.411 1.00 46.84 C ATOM 1804 CG LEU B 31 -23.560 32.805 0.457 1.00 47.42 C ATOM 1805 CD1 LEU B 31 -24.622 31.860 0.994 1.00 40.86 C ATOM 1806 CD2 LEU B 31 -22.867 33.513 1.610 1.00 45.98 C ATOM 0 H LEU B 31 -21.103 31.093 -2.281 1.00 46.97 H new ATOM 0 HA LEU B 31 -23.487 30.496 -1.209 1.00 47.70 H new ATOM 0 HB2 LEU B 31 -21.978 31.528 0.178 1.00 46.84 H new ATOM 0 HB3 LEU B 31 -21.911 32.768 -0.765 1.00 46.84 H new ATOM 0 HG LEU B 31 -24.016 33.446 -0.110 1.00 47.42 H new ATOM 0 HD11 LEU B 31 -25.258 32.359 1.531 1.00 40.86 H new ATOM 0 HD12 LEU B 31 -25.085 31.439 0.253 1.00 40.86 H new ATOM 0 HD13 LEU B 31 -24.202 31.178 1.541 1.00 40.86 H new ATOM 0 HD21 LEU B 31 -23.529 33.964 2.157 1.00 45.98 H new ATOM 0 HD22 LEU B 31 -22.390 32.863 2.150 1.00 45.98 H new ATOM 0 HD23 LEU B 31 -22.239 34.164 1.260 1.00 45.98 H new ATOM 1807 N THR B 32 -24.721 31.249 -3.250 1.00 54.50 N ATOM 1808 CA THR B 32 -25.704 31.823 -4.195 1.00 59.08 C ATOM 1809 C THR B 32 -26.797 32.540 -3.371 1.00 61.35 C ATOM 1810 O THR B 32 -27.542 31.868 -2.648 1.00 62.58 O ATOM 1811 CB THR B 32 -26.327 30.713 -5.095 1.00 56.57 C ATOM 0 H THR B 32 -24.761 30.392 -3.190 1.00 54.50 H new ATOM 0 HA THR B 32 -25.265 32.455 -4.786 1.00 59.08 H new ATOM 1812 N LEU B 33 -26.867 33.881 -3.452 1.00 61.63 N ATOM 1813 CA LEU B 33 -27.833 34.708 -2.643 1.00 61.22 C ATOM 1814 C LEU B 33 -29.320 34.362 -2.903 1.00 59.98 C ATOM 1815 O LEU B 33 -30.179 34.525 -2.024 1.00 58.03 O ATOM 1816 CB LEU B 33 -27.586 36.214 -2.834 1.00 60.52 C ATOM 0 H LEU B 33 -26.364 34.347 -3.971 1.00 61.63 H new ATOM 0 HA LEU B 33 -27.656 34.477 -1.718 1.00 61.22 H new ATOM 1817 N SER B 34 -29.600 33.908 -4.123 1.00 60.45 N ATOM 1818 CA SER B 34 -30.901 33.369 -4.500 1.00 58.60 C ATOM 1819 C SER B 34 -31.111 32.048 -3.753 1.00 57.04 C ATOM 1820 O SER B 34 -32.220 31.770 -3.300 1.00 56.10 O ATOM 1821 CB SER B 34 -30.987 33.138 -6.013 1.00 58.77 C ATOM 0 H SER B 34 -29.028 33.905 -4.765 1.00 60.45 H new ATOM 0 HA SER B 34 -31.593 34.006 -4.262 1.00 58.60 H new ATOM 1822 N GLU B 35 -30.048 31.245 -3.624 1.00 56.41 N ATOM 1823 CA GLU B 35 -30.121 29.968 -2.897 1.00 55.56 C ATOM 1824 C GLU B 35 -30.263 30.154 -1.376 1.00 52.95 C ATOM 1825 O GLU B 35 -30.852 29.300 -0.739 1.00 54.84 O ATOM 1826 CB GLU B 35 -28.912 29.049 -3.164 1.00 57.00 C ATOM 1827 CG GLU B 35 -29.242 27.543 -2.896 1.00 60.57 C ATOM 1828 CD GLU B 35 -28.170 26.762 -2.162 1.00 61.94 C ATOM 1829 OE1 GLU B 35 -27.406 27.339 -1.362 1.00 75.56 O ATOM 1830 OE2 GLU B 35 -28.129 25.535 -2.337 1.00 69.52 O ATOM 0 H GLU B 35 -29.273 31.422 -3.951 1.00 56.41 H new ATOM 0 HA GLU B 35 -30.922 29.544 -3.244 1.00 55.56 H new ATOM 0 HB2 GLU B 35 -28.623 29.156 -4.084 1.00 57.00 H new ATOM 0 HB3 GLU B 35 -28.171 29.321 -2.601 1.00 57.00 H new ATOM 0 HG2 GLU B 35 -30.064 27.494 -2.384 1.00 60.57 H new ATOM 0 HG3 GLU B 35 -29.412 27.109 -3.747 1.00 60.57 H new ATOM 1831 N LEU B 36 -29.694 31.214 -0.791 1.00 48.16 N ATOM 1832 CA LEU B 36 -29.883 31.479 0.644 1.00 44.68 C ATOM 1833 C LEU B 36 -31.379 31.660 0.933 1.00 43.37 C ATOM 1834 O LEU B 36 -31.884 31.073 1.880 1.00 41.85 O ATOM 1835 CB LEU B 36 -29.096 32.698 1.120 1.00 43.91 C ATOM 1836 CG LEU B 36 -29.215 33.100 2.589 1.00 39.91 C ATOM 1837 CD1 LEU B 36 -28.860 31.960 3.571 1.00 36.23 C ATOM 1838 CD2 LEU B 36 -28.328 34.294 2.822 1.00 44.39 C ATOM 0 H LEU B 36 -29.200 31.787 -1.201 1.00 48.16 H new ATOM 0 HA LEU B 36 -29.540 30.717 1.136 1.00 44.68 H new ATOM 0 HB2 LEU B 36 -28.158 32.539 0.931 1.00 43.91 H new ATOM 0 HB3 LEU B 36 -29.369 33.457 0.581 1.00 43.91 H new ATOM 0 HG LEU B 36 -30.144 33.315 2.767 1.00 39.91 H new ATOM 0 HD11 LEU B 36 -28.955 32.277 4.483 1.00 36.23 H new ATOM 0 HD12 LEU B 36 -29.458 31.210 3.426 1.00 36.23 H new ATOM 0 HD13 LEU B 36 -27.944 31.677 3.421 1.00 36.23 H new ATOM 0 HD21 LEU B 36 -28.389 34.566 3.751 1.00 44.39 H new ATOM 0 HD22 LEU B 36 -27.410 34.061 2.613 1.00 44.39 H new ATOM 0 HD23 LEU B 36 -28.613 35.025 2.252 1.00 44.39 H new ATOM 1839 N ALA B 37 -32.061 32.469 0.123 1.00 44.49 N ATOM 1840 CA ALA B 37 -33.521 32.640 0.224 1.00 47.94 C ATOM 1841 C ALA B 37 -34.227 31.298 -0.045 1.00 50.93 C ATOM 1842 O ALA B 37 -35.122 30.907 0.699 1.00 53.67 O ATOM 1843 CB ALA B 37 -34.019 33.712 -0.752 1.00 46.20 C ATOM 0 H ALA B 37 -31.696 32.935 -0.501 1.00 44.49 H new ATOM 0 HA ALA B 37 -33.733 32.935 1.124 1.00 47.94 H new ATOM 0 HB1 ALA B 37 -34.981 33.806 -0.667 1.00 46.20 H new ATOM 0 HB2 ALA B 37 -33.593 34.559 -0.548 1.00 46.20 H new ATOM 0 HB3 ALA B 37 -33.799 33.450 -1.660 1.00 46.20 H new ATOM 1844 N ALA B 38 -33.779 30.590 -1.085 1.00 53.72 N ATOM 1845 CA ALA B 38 -34.330 29.273 -1.466 1.00 55.35 C ATOM 1846 C ALA B 38 -34.106 28.155 -0.430 1.00 55.36 C ATOM 1847 O ALA B 38 -34.962 27.294 -0.264 1.00 57.26 O ATOM 1848 CB ALA B 38 -33.777 28.838 -2.838 1.00 56.35 C ATOM 0 H ALA B 38 -33.142 30.858 -1.596 1.00 53.72 H new ATOM 0 HA ALA B 38 -35.291 29.401 -1.510 1.00 55.35 H new ATOM 0 HB1 ALA B 38 -34.146 27.973 -3.076 1.00 56.35 H new ATOM 0 HB2 ALA B 38 -34.027 29.492 -3.510 1.00 56.35 H new ATOM 0 HB3 ALA B 38 -32.810 28.775 -2.792 1.00 56.35 H new ATOM 1849 N ARG B 39 -32.969 28.177 0.254 1.00 54.38 N ATOM 1850 CA ARG B 39 -32.616 27.168 1.272 1.00 55.04 C ATOM 1851 C ARG B 39 -33.134 27.525 2.681 1.00 57.21 C ATOM 1852 O ARG B 39 -33.090 26.690 3.589 1.00 58.68 O ATOM 1853 CB ARG B 39 -31.101 26.927 1.238 1.00 54.35 C ATOM 1854 CG ARG B 39 -30.584 25.823 2.128 1.00 53.77 C ATOM 1855 CD ARG B 39 -29.244 25.360 1.674 1.00 53.99 C ATOM 1856 NE ARG B 39 -28.474 24.792 2.758 1.00 50.20 N ATOM 1857 CZ ARG B 39 -27.207 24.381 2.654 1.00 62.90 C ATOM 1858 NH1 ARG B 39 -26.563 24.411 1.481 1.00 64.20 N ATOM 1859 NH2 ARG B 39 -26.582 23.902 3.731 1.00 61.79 N ATOM 0 H ARG B 39 -32.367 28.782 0.145 1.00 54.38 H new ATOM 0 HA ARG B 39 -33.068 26.338 1.052 1.00 55.04 H new ATOM 0 HB2 ARG B 39 -30.844 26.728 0.324 1.00 54.35 H new ATOM 0 HB3 ARG B 39 -30.655 27.752 1.485 1.00 54.35 H new ATOM 0 HG2 ARG B 39 -30.528 26.139 3.043 1.00 53.77 H new ATOM 0 HG3 ARG B 39 -31.207 25.079 2.122 1.00 53.77 H new ATOM 0 HD2 ARG B 39 -29.351 24.699 0.973 1.00 53.99 H new ATOM 0 HD3 ARG B 39 -28.758 26.106 1.289 1.00 53.99 H new ATOM 0 HE ARG B 39 -28.858 24.713 3.523 1.00 50.20 H new ATOM 0 HH11 ARG B 39 -26.965 24.699 0.777 1.00 64.20 H new ATOM 0 HH12 ARG B 39 -25.747 24.143 1.431 1.00 64.20 H new ATOM 0 HH21 ARG B 39 -26.995 23.860 4.484 1.00 61.79 H new ATOM 0 HH22 ARG B 39 -25.766 23.636 3.672 1.00 61.79 H new ATOM 1860 N ALA B 40 -33.599 28.766 2.858 1.00 58.70 N ATOM 1861 CA ALA B 40 -34.241 29.235 4.094 1.00 58.55 C ATOM 1862 C ALA B 40 -35.764 29.283 3.918 1.00 59.76 C ATOM 1863 O ALA B 40 -36.474 29.556 4.886 1.00 62.34 O ATOM 1864 CB ALA B 40 -33.716 30.613 4.481 1.00 57.82 C ATOM 0 H ALA B 40 -33.549 29.372 2.250 1.00 58.70 H new ATOM 0 HA ALA B 40 -34.027 28.611 4.805 1.00 58.55 H new ATOM 0 HB1 ALA B 40 -34.149 30.907 5.297 1.00 57.82 H new ATOM 0 HB2 ALA B 40 -32.758 30.566 4.623 1.00 57.82 H new ATOM 0 HB3 ALA B 40 -33.907 31.244 3.769 1.00 57.82 H new ATOM 1865 N GLY B 41 -36.261 29.052 2.696 1.00 59.40 N ATOM 1866 CA GLY B 41 -37.691 29.047 2.400 1.00 59.47 C ATOM 1867 C GLY B 41 -38.374 30.366 2.068 1.00 59.95 C ATOM 1868 O GLY B 41 -39.558 30.341 1.689 1.00 60.59 O ATOM 0 H GLY B 41 -35.767 28.892 2.011 1.00 59.40 H new ATOM 0 HA2 GLY B 41 -37.834 28.445 1.653 1.00 59.47 H new ATOM 0 HA3 GLY B 41 -38.148 28.663 3.165 1.00 59.47 H new ATOM 1869 N ILE B 42 -37.655 31.496 2.164 1.00 59.11 N ATOM 1870 CA ILE B 42 -38.225 32.849 1.895 1.00 57.61 C ATOM 1871 C ILE B 42 -37.918 33.403 0.483 1.00 57.25 C ATOM 1872 O ILE B 42 -37.185 32.783 -0.291 1.00 56.70 O ATOM 1873 CB ILE B 42 -37.827 33.870 3.014 1.00 57.15 C ATOM 1874 CG1 ILE B 42 -36.333 34.233 2.998 1.00 56.72 C ATOM 1875 CG2 ILE B 42 -38.215 33.307 4.380 1.00 56.20 C ATOM 1876 CD1 ILE B 42 -35.993 35.345 3.961 1.00 56.98 C ATOM 0 H ILE B 42 -36.824 31.508 2.386 1.00 59.11 H new ATOM 0 HA ILE B 42 -39.187 32.730 1.915 1.00 57.61 H new ATOM 0 HB ILE B 42 -38.312 34.691 2.837 1.00 57.15 H new ATOM 0 HG12 ILE B 42 -35.811 33.447 3.221 1.00 56.72 H new ATOM 0 HG13 ILE B 42 -36.078 34.498 2.100 1.00 56.72 H new ATOM 0 HG21 ILE B 42 -37.968 33.940 5.073 1.00 56.20 H new ATOM 0 HG22 ILE B 42 -39.173 33.155 4.407 1.00 56.20 H new ATOM 0 HG23 ILE B 42 -37.751 32.468 4.528 1.00 56.20 H new ATOM 0 HD11 ILE B 42 -35.043 35.536 3.913 1.00 56.98 H new ATOM 0 HD12 ILE B 42 -36.494 36.141 3.726 1.00 56.98 H new ATOM 0 HD13 ILE B 42 -36.223 35.073 4.863 1.00 56.98 H new ATOM 1877 N SER B 43 -38.507 34.562 0.168 1.00 57.33 N ATOM 1878 CA SER B 43 -38.319 35.256 -1.123 1.00 57.36 C ATOM 1879 C SER B 43 -37.016 36.066 -1.152 1.00 57.16 C ATOM 1880 O SER B 43 -36.550 36.514 -0.105 1.00 56.15 O ATOM 1881 CB SER B 43 -39.490 36.212 -1.399 1.00 55.30 C ATOM 0 H SER B 43 -39.036 34.977 0.704 1.00 57.33 H new ATOM 0 HA SER B 43 -38.278 34.568 -1.806 1.00 57.36 H new ATOM 1882 N GLN B 44 -36.446 36.238 -2.354 1.00 57.68 N ATOM 1883 CA GLN B 44 -35.222 37.049 -2.567 1.00 58.21 C ATOM 1884 C GLN B 44 -35.434 38.508 -2.185 1.00 57.67 C ATOM 1885 O GLN B 44 -34.518 39.148 -1.658 1.00 56.87 O ATOM 1886 CB GLN B 44 -34.724 36.986 -4.018 1.00 58.62 C ATOM 1887 CG GLN B 44 -33.872 35.786 -4.352 1.00 61.48 C ATOM 1888 CD GLN B 44 -33.444 35.794 -5.809 1.00 61.16 C ATOM 1889 OE1 GLN B 44 -32.323 36.185 -6.131 1.00 71.63 O ATOM 1890 NE2 GLN B 44 -34.351 35.407 -6.699 1.00 60.75 N ATOM 0 H GLN B 44 -36.757 35.888 -3.075 1.00 57.68 H new ATOM 0 HA GLN B 44 -34.549 36.659 -1.988 1.00 58.21 H new ATOM 0 HB2 GLN B 44 -35.493 36.994 -4.610 1.00 58.62 H new ATOM 0 HB3 GLN B 44 -34.214 37.789 -4.205 1.00 58.62 H new ATOM 0 HG2 GLN B 44 -33.086 35.777 -3.783 1.00 61.48 H new ATOM 0 HG3 GLN B 44 -34.368 34.974 -4.164 1.00 61.48 H new ATOM 0 HE21 GLN B 44 -35.125 35.140 -6.436 1.00 60.75 H new ATOM 0 HE22 GLN B 44 -34.164 35.424 -7.538 1.00 60.75 H new ATOM 1891 N ALA B 45 -36.625 39.030 -2.491 1.00 57.81 N ATOM 1892 CA ALA B 45 -37.011 40.387 -2.097 1.00 58.53 C ATOM 1893 C ALA B 45 -37.099 40.447 -0.567 1.00 58.93 C ATOM 1894 O ALA B 45 -36.544 41.366 0.047 1.00 57.98 O ATOM 1895 CB ALA B 45 -38.342 40.793 -2.741 1.00 58.05 C ATOM 0 H ALA B 45 -37.230 38.607 -2.932 1.00 57.81 H new ATOM 0 HA ALA B 45 -36.342 41.016 -2.409 1.00 58.53 H new ATOM 0 HB1 ALA B 45 -38.574 41.693 -2.465 1.00 58.05 H new ATOM 0 HB2 ALA B 45 -38.257 40.764 -3.707 1.00 58.05 H new ATOM 0 HB3 ALA B 45 -39.038 40.179 -2.460 1.00 58.05 H new ATOM 1896 N ASN B 46 -37.771 39.454 0.031 1.00 60.24 N ATOM 1897 CA ASN B 46 -37.887 39.334 1.502 1.00 61.06 C ATOM 1898 C ASN B 46 -36.518 39.163 2.208 1.00 61.85 C ATOM 1899 O ASN B 46 -36.347 39.612 3.340 1.00 62.90 O ATOM 1900 CB ASN B 46 -38.854 38.205 1.890 1.00 60.79 C ATOM 0 H ASN B 46 -38.174 38.829 -0.401 1.00 60.24 H new ATOM 0 HA ASN B 46 -38.253 40.176 1.816 1.00 61.06 H new ATOM 1901 N LEU B 47 -35.559 38.522 1.531 1.00 61.87 N ATOM 1902 CA LEU B 47 -34.175 38.375 2.028 1.00 61.82 C ATOM 1903 C LEU B 47 -33.437 39.737 2.039 1.00 63.44 C ATOM 1904 O LEU B 47 -32.579 39.966 2.902 1.00 62.87 O ATOM 1905 CB LEU B 47 -33.409 37.356 1.175 1.00 61.59 C ATOM 1906 CG LEU B 47 -31.981 36.956 1.541 1.00 60.97 C ATOM 1907 CD1 LEU B 47 -31.921 36.378 2.941 1.00 59.00 C ATOM 1908 CD2 LEU B 47 -31.460 35.962 0.522 1.00 58.91 C ATOM 0 H LEU B 47 -35.690 38.156 0.764 1.00 61.87 H new ATOM 0 HA LEU B 47 -34.216 38.051 2.941 1.00 61.82 H new ATOM 0 HB2 LEU B 47 -33.938 36.543 1.156 1.00 61.59 H new ATOM 0 HB3 LEU B 47 -33.386 37.701 0.269 1.00 61.59 H new ATOM 0 HG LEU B 47 -31.419 37.746 1.529 1.00 60.97 H new ATOM 0 HD11 LEU B 47 -31.007 36.132 3.151 1.00 59.00 H new ATOM 0 HD12 LEU B 47 -32.231 37.040 3.578 1.00 59.00 H new ATOM 0 HD13 LEU B 47 -32.487 35.592 2.991 1.00 59.00 H new ATOM 0 HD21 LEU B 47 -30.553 35.707 0.753 1.00 58.91 H new ATOM 0 HD22 LEU B 47 -32.026 35.174 0.519 1.00 58.91 H new ATOM 0 HD23 LEU B 47 -31.467 36.368 -0.359 1.00 58.91 H new ATOM 1909 N SER B 48 -33.780 40.623 1.085 1.00 64.59 N ATOM 1910 CA SER B 48 -33.221 41.998 0.997 1.00 64.82 C ATOM 1911 C SER B 48 -33.533 42.865 2.229 1.00 64.99 C ATOM 1912 O SER B 48 -32.792 43.809 2.528 1.00 65.51 O ATOM 1913 CB SER B 48 -33.708 42.716 -0.267 1.00 66.05 C ATOM 0 H SER B 48 -34.348 40.444 0.464 1.00 64.59 H new ATOM 0 HA SER B 48 -32.259 41.883 0.959 1.00 64.82 H new ATOM 1914 N ARG B 49 -34.625 42.546 2.930 1.00 64.41 N ATOM 1915 CA ARG B 49 -34.983 43.211 4.194 1.00 64.18 C ATOM 1916 C ARG B 49 -33.988 42.950 5.342 1.00 64.06 C ATOM 1917 O ARG B 49 -33.953 43.731 6.299 1.00 64.77 O ATOM 1918 CB ARG B 49 -36.390 42.793 4.651 1.00 64.02 C ATOM 0 H ARG B 49 -35.182 41.937 2.687 1.00 64.41 H new ATOM 0 HA ARG B 49 -34.955 44.161 3.999 1.00 64.18 H new ATOM 1919 N TYR B 50 -33.206 41.861 5.257 1.00 63.73 N ATOM 1920 CA TYR B 50 -32.214 41.483 6.282 1.00 61.73 C ATOM 1921 C TYR B 50 -30.779 41.874 5.929 1.00 59.51 C ATOM 1922 O TYR B 50 -30.008 42.214 6.822 1.00 58.70 O ATOM 1923 CB TYR B 50 -32.296 39.983 6.564 1.00 63.41 C ATOM 1924 CG TYR B 50 -33.691 39.559 6.943 1.00 64.11 C ATOM 1925 CD1 TYR B 50 -34.138 39.663 8.260 1.00 65.16 C ATOM 1926 CD2 TYR B 50 -34.585 39.086 5.976 1.00 65.67 C ATOM 1927 CE1 TYR B 50 -35.438 39.286 8.615 1.00 65.38 C ATOM 1928 CE2 TYR B 50 -35.889 38.707 6.325 1.00 67.68 C ATOM 1929 CZ TYR B 50 -36.304 38.820 7.644 1.00 66.28 C ATOM 1930 OH TYR B 50 -37.580 38.455 7.994 1.00 68.21 O ATOM 0 H TYR B 50 -33.237 41.314 4.594 1.00 63.73 H new ATOM 0 HA TYR B 50 -32.443 41.987 7.078 1.00 61.73 H new ATOM 0 HB2 TYR B 50 -32.011 39.490 5.779 1.00 63.41 H new ATOM 0 HB3 TYR B 50 -31.683 39.755 7.280 1.00 63.41 H new ATOM 0 HD1 TYR B 50 -33.562 39.989 8.914 1.00 65.16 H new ATOM 0 HD2 TYR B 50 -34.310 39.022 5.090 1.00 65.67 H new ATOM 0 HE1 TYR B 50 -35.718 39.349 9.500 1.00 65.38 H new ATOM 0 HE2 TYR B 50 -36.472 38.382 5.677 1.00 67.68 H new ATOM 0 HH TYR B 50 -37.994 38.194 7.311 1.00 68.21 H new ATOM 1931 N PHE B 51 -30.417 41.795 4.647 1.00 58.44 N ATOM 1932 CA PHE B 51 -29.068 42.169 4.167 1.00 57.47 C ATOM 1933 C PHE B 51 -29.225 42.930 2.863 1.00 58.67 C ATOM 1934 O PHE B 51 -29.810 42.395 1.910 1.00 58.36 O ATOM 1935 CB PHE B 51 -28.184 40.927 3.941 1.00 55.43 C ATOM 1936 CG PHE B 51 -28.224 39.950 5.065 1.00 50.36 C ATOM 1937 CD1 PHE B 51 -27.387 40.099 6.170 1.00 46.94 C ATOM 1938 CD2 PHE B 51 -29.129 38.887 5.039 1.00 51.00 C ATOM 1939 CE1 PHE B 51 -27.435 39.189 7.225 1.00 47.36 C ATOM 1940 CE2 PHE B 51 -29.187 37.966 6.089 1.00 46.70 C ATOM 1941 CZ PHE B 51 -28.349 38.121 7.187 1.00 47.52 C ATOM 0 H PHE B 51 -30.944 41.523 4.024 1.00 58.44 H new ATOM 0 HA PHE B 51 -28.633 42.718 4.838 1.00 57.47 H new ATOM 0 HB2 PHE B 51 -28.467 40.483 3.127 1.00 55.43 H new ATOM 0 HB3 PHE B 51 -27.267 41.213 3.804 1.00 55.43 H new ATOM 0 HD1 PHE B 51 -26.791 40.812 6.204 1.00 46.94 H new ATOM 0 HD2 PHE B 51 -29.702 38.790 4.313 1.00 51.00 H new ATOM 0 HE1 PHE B 51 -26.864 39.288 7.952 1.00 47.36 H new ATOM 0 HE2 PHE B 51 -29.783 37.253 6.053 1.00 46.70 H new ATOM 0 HZ PHE B 51 -28.393 37.520 7.895 1.00 47.52 H new ATOM 1942 N GLU B 52 -28.723 44.167 2.822 1.00 59.74 N ATOM 1943 CA GLU B 52 -28.834 45.005 1.620 1.00 61.90 C ATOM 1944 C GLU B 52 -27.980 44.435 0.489 1.00 59.49 C ATOM 1945 O GLU B 52 -28.454 44.291 -0.648 1.00 60.42 O ATOM 1946 CB GLU B 52 -28.416 46.460 1.902 1.00 62.29 C ATOM 1947 CG GLU B 52 -28.791 47.456 0.771 1.00 67.92 C ATOM 1948 CD GLU B 52 -28.321 48.893 1.020 1.00 66.25 C ATOM 1949 OE1 GLU B 52 -27.902 49.225 2.158 1.00 72.18 O ATOM 1950 OE2 GLU B 52 -28.381 49.692 0.055 1.00 75.03 O ATOM 0 H GLU B 52 -28.314 44.541 3.479 1.00 59.74 H new ATOM 0 HA GLU B 52 -29.766 45.004 1.352 1.00 61.90 H new ATOM 0 HB2 GLU B 52 -28.832 46.752 2.728 1.00 62.29 H new ATOM 0 HB3 GLU B 52 -27.457 46.490 2.041 1.00 62.29 H new ATOM 0 HG2 GLU B 52 -28.409 47.141 -0.063 1.00 67.92 H new ATOM 0 HG3 GLU B 52 -29.755 47.456 0.660 1.00 67.92 H new ATOM 1951 N THR B 53 -26.736 44.107 0.834 1.00 55.80 N ATOM 1952 CA THR B 53 -25.745 43.595 -0.094 1.00 52.31 C ATOM 1953 C THR B 53 -25.112 42.310 0.425 1.00 48.76 C ATOM 1954 O THR B 53 -25.311 41.920 1.587 1.00 48.10 O ATOM 1955 CB THR B 53 -24.619 44.642 -0.277 1.00 52.84 C ATOM 1956 OG1 THR B 53 -23.911 44.829 0.959 1.00 52.67 O ATOM 1957 CG2 THR B 53 -25.194 45.984 -0.733 1.00 51.19 C ATOM 0 H THR B 53 -26.442 44.180 1.639 1.00 55.80 H new ATOM 0 HA THR B 53 -26.193 43.414 -0.935 1.00 52.31 H new ATOM 0 HB THR B 53 -24.010 44.311 -0.956 1.00 52.84 H new ATOM 0 HG1 THR B 53 -24.436 45.133 1.540 1.00 52.67 H new ATOM 0 HG21 THR B 53 -24.474 46.625 -0.842 1.00 51.19 H new ATOM 0 HG22 THR B 53 -25.654 45.868 -1.579 1.00 51.19 H new ATOM 0 HG23 THR B 53 -25.820 46.311 -0.068 1.00 51.19 H new ATOM 1958 N ARG B 54 -24.338 41.674 -0.451 1.00 44.60 N ATOM 1959 CA AARG B 54 -23.603 40.465 -0.114 0.50 42.92 C ATOM 1960 CA BARG B 54 -23.623 40.449 -0.083 0.50 43.44 C ATOM 1961 C ARG B 54 -22.574 40.774 0.985 1.00 42.58 C ATOM 1962 O ARG B 54 -22.382 39.975 1.896 1.00 40.90 O ATOM 1963 CB AARG B 54 -22.886 39.935 -1.349 0.50 42.07 C ATOM 1964 CB BARG B 54 -22.979 39.745 -1.285 0.50 42.92 C ATOM 1965 CG AARG B 54 -22.300 38.578 -1.178 0.50 39.07 C ATOM 1966 CG BARG B 54 -22.320 38.411 -0.920 0.50 42.78 C ATOM 1967 CD AARG B 54 -21.307 38.317 -2.250 0.50 37.42 C ATOM 1968 CD BARG B 54 -21.814 37.676 -2.129 0.50 45.62 C ATOM 1969 NE AARG B 54 -20.851 36.947 -2.151 0.50 34.20 N ATOM 1970 NE BARG B 54 -20.973 36.541 -1.769 0.50 48.43 N ATOM 1971 CZ AARG B 54 -21.484 35.869 -2.621 0.50 32.32 C ATOM 1972 CZ BARG B 54 -19.692 36.603 -1.377 0.50 49.47 C ATOM 1973 NH1AARG B 54 -22.646 35.936 -3.250 0.50 25.80 N ATOM 1974 NH1BARG B 54 -19.042 37.769 -1.237 0.50 51.27 N ATOM 1975 NH2AARG B 54 -20.931 34.689 -2.436 0.50 38.30 N ATOM 1976 NH2BARG B 54 -19.057 35.472 -1.090 0.50 47.34 N ATOM 0 H AARG B 54 -24.226 41.936 -1.262 0.50 44.60 H new ATOM 0 H BARG B 54 -24.212 41.933 -1.262 0.50 44.60 H new ATOM 0 HA AARG B 54 -24.226 39.794 0.207 0.50 43.44 H new ATOM 0 HA BARG B 54 -24.275 39.826 0.274 0.50 43.44 H new ATOM 0 HB2AARG B 54 -23.511 39.915 -2.090 0.50 42.92 H new ATOM 0 HB2BARG B 54 -23.656 39.590 -1.963 0.50 42.92 H new ATOM 0 HB3AARG B 54 -22.179 40.554 -1.591 0.50 42.92 H new ATOM 0 HB3BARG B 54 -22.313 40.331 -1.678 0.50 42.92 H new ATOM 0 HG2AARG B 54 -21.875 38.508 -0.309 0.50 42.78 H new ATOM 0 HG2BARG B 54 -21.583 38.573 -0.310 0.50 42.78 H new ATOM 0 HG3AARG B 54 -23.001 37.908 -1.206 0.50 42.78 H new ATOM 0 HG3BARG B 54 -22.960 37.854 -0.450 0.50 42.78 H new ATOM 0 HD2AARG B 54 -21.705 38.475 -3.120 0.50 45.62 H new ATOM 0 HD2BARG B 54 -22.567 37.365 -2.655 0.50 45.62 H new ATOM 0 HD3AARG B 54 -20.557 38.926 -2.166 0.50 45.62 H new ATOM 0 HD3BARG B 54 -21.309 38.286 -2.689 0.50 45.62 H new ATOM 0 HE AARG B 54 -20.101 36.814 -1.751 0.50 48.43 H new ATOM 0 HE BARG B 54 -21.331 35.760 -1.812 0.50 48.43 H new ATOM 0 HH11AARG B 54 -23.026 36.698 -3.371 0.50 51.27 H new ATOM 0 HH11BARG B 54 -19.447 38.510 -1.401 0.50 51.27 H new ATOM 0 HH12AARG B 54 -23.021 35.218 -3.538 0.50 51.27 H new ATOM 0 HH12BARG B 54 -18.220 37.775 -0.984 0.50 51.27 H new ATOM 0 HH21AARG B 54 -20.180 34.626 -2.021 0.50 47.34 H new ATOM 0 HH21BARG B 54 -19.468 34.719 -1.157 0.50 47.34 H new ATOM 0 HH22AARG B 54 -21.320 33.981 -2.730 0.50 47.34 H new ATOM 0 HH22BARG B 54 -18.235 35.492 -0.837 0.50 47.34 H new ATOM 1977 N GLU B 55 -21.909 41.934 0.869 1.00 43.11 N ATOM 1978 CA GLU B 55 -20.900 42.389 1.869 1.00 42.77 C ATOM 1979 C GLU B 55 -21.483 42.402 3.287 1.00 42.84 C ATOM 1980 O GLU B 55 -20.836 41.948 4.230 1.00 44.58 O ATOM 1981 CB GLU B 55 -20.354 43.778 1.519 1.00 44.64 C ATOM 0 H GLU B 55 -22.023 42.482 0.216 1.00 43.11 H new ATOM 0 HA GLU B 55 -20.169 41.753 1.842 1.00 42.77 H new ATOM 1982 N ASP B 56 -22.722 42.882 3.416 1.00 42.12 N ATOM 1983 CA ASP B 56 -23.439 42.873 4.707 1.00 42.08 C ATOM 1984 C ASP B 56 -23.627 41.435 5.242 1.00 40.77 C ATOM 1985 O ASP B 56 -23.426 41.177 6.429 1.00 38.84 O ATOM 1986 CB ASP B 56 -24.800 43.570 4.581 1.00 42.83 C ATOM 1987 CG ASP B 56 -24.679 45.035 4.146 1.00 50.44 C ATOM 1988 OD1 ASP B 56 -23.725 45.719 4.602 1.00 52.21 O ATOM 1989 OD2 ASP B 56 -25.539 45.497 3.347 1.00 50.11 O ATOM 0 H ASP B 56 -23.172 43.221 2.766 1.00 42.12 H new ATOM 0 HA ASP B 56 -22.894 43.363 5.343 1.00 42.08 H new ATOM 0 HB2 ASP B 56 -25.346 43.090 3.939 1.00 42.83 H new ATOM 0 HB3 ASP B 56 -25.261 43.527 5.433 1.00 42.83 H new ATOM 1990 N LEU B 57 -23.978 40.505 4.352 1.00 38.54 N ATOM 1991 CA LEU B 57 -24.143 39.101 4.735 1.00 36.26 C ATOM 1992 C LEU B 57 -22.813 38.492 5.203 1.00 36.02 C ATOM 1993 O LEU B 57 -22.741 37.864 6.276 1.00 35.36 O ATOM 1994 CB LEU B 57 -24.743 38.284 3.571 1.00 36.04 C ATOM 1995 CG LEU B 57 -24.877 36.770 3.748 1.00 34.00 C ATOM 1996 CD1 LEU B 57 -25.629 36.403 5.031 1.00 35.10 C ATOM 1997 CD2 LEU B 57 -25.499 36.159 2.483 1.00 34.08 C ATOM 0 H LEU B 57 -24.125 40.667 3.520 1.00 38.54 H new ATOM 0 HA LEU B 57 -24.762 39.067 5.481 1.00 36.26 H new ATOM 0 HB2 LEU B 57 -25.625 38.640 3.382 1.00 36.04 H new ATOM 0 HB3 LEU B 57 -24.198 38.444 2.784 1.00 36.04 H new ATOM 0 HG LEU B 57 -23.994 36.385 3.859 1.00 34.00 H new ATOM 0 HD11 LEU B 57 -25.692 35.438 5.105 1.00 35.10 H new ATOM 0 HD12 LEU B 57 -25.151 36.755 5.798 1.00 35.10 H new ATOM 0 HD13 LEU B 57 -26.521 36.783 5.004 1.00 35.10 H new ATOM 0 HD21 LEU B 57 -25.584 35.199 2.595 1.00 34.08 H new ATOM 0 HD22 LEU B 57 -26.376 36.546 2.334 1.00 34.08 H new ATOM 0 HD23 LEU B 57 -24.930 36.346 1.720 1.00 34.08 H new HETATM 1998 N MSE B 58 -21.757 38.696 4.407 1.00 36.39 N HETATM 1999 CA MSE B 58 -20.417 38.139 4.730 1.00 37.45 C HETATM 2000 C MSE B 58 -19.882 38.663 6.074 1.00 38.34 C HETATM 2001 O MSE B 58 -19.287 37.914 6.844 1.00 38.21 O HETATM 2002 CB MSE B 58 -19.387 38.452 3.632 1.00 37.88 C HETATM 2003 CG MSE B 58 -19.727 38.032 2.220 1.00 44.88 C HETATM 2004 SE MSE B 58 -20.545 36.285 2.113 0.75 49.28 SE HETATM 2005 CE MSE B 58 -19.149 35.238 2.437 1.00 29.74 C HETATM 0 H MSE B 58 -21.786 39.150 3.677 1.00 36.39 H new HETATM 0 HA MSE B 58 -20.538 37.179 4.790 1.00 37.45 H new HETATM 0 HB2 MSE B 58 -19.232 39.409 3.631 1.00 37.88 H new HETATM 0 HB3 MSE B 58 -18.549 38.029 3.877 1.00 37.88 H new HETATM 0 HG2 MSE B 58 -20.327 38.687 1.831 1.00 44.88 H new HETATM 0 HG3 MSE B 58 -18.918 38.036 1.685 1.00 44.88 H new HETATM 0 HE1 MSE B 58 -19.428 34.309 2.412 1.00 29.74 H new HETATM 0 HE2 MSE B 58 -18.468 35.389 1.763 1.00 29.74 H new HETATM 0 HE3 MSE B 58 -18.787 35.443 3.313 1.00 29.74 H new ATOM 2006 N GLU B 59 -20.102 39.948 6.343 1.00 39.94 N ATOM 2007 CA GLU B 59 -19.708 40.541 7.621 1.00 39.91 C ATOM 2008 C GLU B 59 -20.512 39.937 8.785 1.00 38.41 C ATOM 2009 O GLU B 59 -19.938 39.658 9.833 1.00 38.24 O ATOM 2010 CB GLU B 59 -19.811 42.062 7.594 1.00 41.69 C ATOM 2011 CG GLU B 59 -18.798 42.701 6.665 1.00 47.74 C ATOM 0 H GLU B 59 -20.479 40.496 5.798 1.00 39.94 H new ATOM 0 HA GLU B 59 -18.774 40.324 7.767 1.00 39.91 H new ATOM 0 HB2 GLU B 59 -20.705 42.317 7.316 1.00 41.69 H new ATOM 0 HB3 GLU B 59 -19.684 42.407 8.492 1.00 41.69 H new ATOM 2012 N ALA B 60 -21.814 39.701 8.578 1.00 39.02 N ATOM 2013 CA ALA B 60 -22.681 39.058 9.594 1.00 36.95 C ATOM 2014 C ALA B 60 -22.201 37.642 9.904 1.00 38.09 C ATOM 2015 O ALA B 60 -22.104 37.257 11.080 1.00 38.05 O ATOM 2016 CB ALA B 60 -24.140 39.034 9.126 1.00 38.29 C ATOM 0 H ALA B 60 -22.223 39.906 7.850 1.00 39.02 H new ATOM 0 HA ALA B 60 -22.626 39.584 10.407 1.00 36.95 H new ATOM 0 HB1 ALA B 60 -24.690 38.610 9.803 1.00 38.29 H new ATOM 0 HB2 ALA B 60 -24.449 39.942 8.981 1.00 38.29 H new ATOM 0 HB3 ALA B 60 -24.206 38.534 8.297 1.00 38.29 H new ATOM 2017 N ILE B 61 -21.849 36.890 8.850 1.00 37.40 N ATOM 2018 CA ILE B 61 -21.307 35.526 8.994 1.00 36.77 C ATOM 2019 C ILE B 61 -19.998 35.529 9.838 1.00 36.43 C ATOM 2020 O ILE B 61 -19.863 34.765 10.792 1.00 35.28 O ATOM 2021 CB ILE B 61 -21.018 34.859 7.634 1.00 36.15 C ATOM 2022 CG1 ILE B 61 -22.298 34.599 6.858 1.00 37.61 C ATOM 2023 CG2 ILE B 61 -20.297 33.496 7.819 1.00 37.89 C ATOM 2024 CD1 ILE B 61 -22.023 34.265 5.406 1.00 37.75 C ATOM 0 H ILE B 61 -21.917 37.155 8.035 1.00 37.40 H new ATOM 0 HA ILE B 61 -21.993 35.013 9.449 1.00 36.77 H new ATOM 0 HB ILE B 61 -20.452 35.476 7.144 1.00 36.15 H new ATOM 0 HG12 ILE B 61 -22.783 33.867 7.271 1.00 37.61 H new ATOM 0 HG13 ILE B 61 -22.869 35.381 6.907 1.00 37.61 H new ATOM 0 HG21 ILE B 61 -20.128 33.099 6.950 1.00 37.89 H new ATOM 0 HG22 ILE B 61 -19.455 33.635 8.280 1.00 37.89 H new ATOM 0 HG23 ILE B 61 -20.857 32.902 8.342 1.00 37.89 H new ATOM 0 HD11 ILE B 61 -22.862 34.106 4.946 1.00 37.75 H new ATOM 0 HD12 ILE B 61 -21.559 35.006 4.986 1.00 37.75 H new ATOM 0 HD13 ILE B 61 -21.471 33.469 5.356 1.00 37.75 H new ATOM 2025 N ALA B 62 -19.077 36.428 9.491 1.00 37.24 N ATOM 2026 CA ALA B 62 -17.797 36.581 10.200 1.00 38.34 C ATOM 2027 C ALA B 62 -18.014 37.038 11.647 1.00 38.13 C ATOM 2028 O ALA B 62 -17.428 36.452 12.568 1.00 36.49 O ATOM 2029 CB ALA B 62 -16.893 37.583 9.475 1.00 36.75 C ATOM 0 H ALA B 62 -19.175 36.972 8.833 1.00 37.24 H new ATOM 0 HA ALA B 62 -17.365 35.712 10.211 1.00 38.34 H new ATOM 0 HB1 ALA B 62 -16.055 37.671 9.956 1.00 36.75 H new ATOM 0 HB2 ALA B 62 -16.717 37.268 8.575 1.00 36.75 H new ATOM 0 HB3 ALA B 62 -17.334 38.446 9.434 1.00 36.75 H new ATOM 2030 N ASP B 63 -18.864 38.053 11.837 1.00 39.97 N ATOM 2031 CA ASP B 63 -19.137 38.610 13.183 1.00 41.51 C ATOM 2032 C ASP B 63 -19.815 37.647 14.139 1.00 42.83 C ATOM 2033 O ASP B 63 -19.609 37.764 15.354 1.00 44.39 O ATOM 2034 CB ASP B 63 -19.922 39.934 13.113 1.00 42.04 C ATOM 2035 CG ASP B 63 -19.083 41.097 12.554 1.00 46.40 C ATOM 2036 OD1 ASP B 63 -17.827 40.998 12.475 1.00 50.27 O ATOM 2037 OD2 ASP B 63 -19.698 42.107 12.166 1.00 52.14 O ATOM 0 H ASP B 63 -19.297 38.438 11.202 1.00 39.97 H new ATOM 0 HA ASP B 63 -18.257 38.783 13.552 1.00 41.51 H new ATOM 0 HB2 ASP B 63 -20.707 39.811 12.557 1.00 42.04 H new ATOM 0 HB3 ASP B 63 -20.237 40.166 14.001 1.00 42.04 H new ATOM 2038 N TYR B 64 -20.608 36.710 13.610 1.00 38.59 N ATOM 2039 CA TYR B 64 -21.259 35.690 14.427 1.00 38.10 C ATOM 2040 C TYR B 64 -20.473 34.390 14.518 1.00 39.15 C ATOM 2041 O TYR B 64 -20.869 33.532 15.300 1.00 39.90 O ATOM 2042 CB TYR B 64 -22.682 35.379 13.934 1.00 40.69 C ATOM 0 H TYR B 64 -20.781 36.651 12.770 1.00 38.59 H new ATOM 0 HA TYR B 64 -21.299 36.077 15.315 1.00 38.10 H new ATOM 2043 N TRP B 65 -19.369 34.242 13.778 1.00 38.17 N ATOM 2044 CA TRP B 65 -18.636 32.966 13.712 1.00 38.59 C ATOM 2045 C TRP B 65 -18.242 32.376 15.089 1.00 39.53 C ATOM 2046 O TRP B 65 -18.405 31.165 15.350 1.00 37.79 O ATOM 2047 CB TRP B 65 -17.408 33.116 12.797 1.00 39.85 C ATOM 2048 CG TRP B 65 -16.680 31.852 12.601 1.00 38.74 C ATOM 2049 CD1 TRP B 65 -15.591 31.428 13.311 1.00 45.09 C ATOM 2050 CD2 TRP B 65 -16.978 30.811 11.667 1.00 38.76 C ATOM 2051 NE1 TRP B 65 -15.194 30.206 12.871 1.00 40.47 N ATOM 2052 CE2 TRP B 65 -16.026 29.786 11.877 1.00 41.76 C ATOM 2053 CE3 TRP B 65 -17.953 30.639 10.666 1.00 45.82 C ATOM 2054 CZ2 TRP B 65 -16.008 28.610 11.135 1.00 48.18 C ATOM 2055 CZ3 TRP B 65 -17.945 29.440 9.924 1.00 47.63 C ATOM 2056 CH2 TRP B 65 -16.970 28.447 10.168 1.00 44.44 C ATOM 0 H TRP B 65 -19.025 34.871 13.303 1.00 38.17 H new ATOM 0 HA TRP B 65 -19.252 32.319 13.335 1.00 38.59 H new ATOM 0 HB2 TRP B 65 -17.693 33.457 11.935 1.00 39.85 H new ATOM 0 HB3 TRP B 65 -16.806 33.775 13.177 1.00 39.85 H new ATOM 0 HD1 TRP B 65 -15.182 31.907 13.995 1.00 45.09 H new ATOM 0 HE1 TRP B 65 -14.521 29.765 13.173 1.00 40.47 H new ATOM 0 HE3 TRP B 65 -18.586 31.299 10.498 1.00 45.82 H new ATOM 0 HZ2 TRP B 65 -15.366 27.955 11.288 1.00 48.18 H new ATOM 0 HZ3 TRP B 65 -18.588 29.301 9.267 1.00 47.63 H new ATOM 0 HH2 TRP B 65 -16.980 27.666 9.663 1.00 44.44 H new ATOM 2057 N PHE B 66 -17.691 33.237 15.937 1.00 40.52 N ATOM 2058 CA PHE B 66 -17.255 32.855 17.289 1.00 39.95 C ATOM 2059 C PHE B 66 -18.272 33.104 18.376 1.00 40.62 C ATOM 2060 O PHE B 66 -17.977 32.847 19.548 1.00 41.99 O ATOM 2061 CB PHE B 66 -15.931 33.567 17.624 1.00 40.21 C ATOM 2062 CG PHE B 66 -14.778 33.104 16.782 1.00 40.03 C ATOM 2063 CD1 PHE B 66 -14.227 31.844 16.991 1.00 41.35 C ATOM 2064 CD2 PHE B 66 -14.222 33.919 15.819 1.00 40.04 C ATOM 2065 CE1 PHE B 66 -13.173 31.378 16.216 1.00 43.33 C ATOM 2066 CE2 PHE B 66 -13.127 33.484 15.043 1.00 44.78 C ATOM 2067 CZ PHE B 66 -12.607 32.199 15.236 1.00 43.23 C ATOM 0 H PHE B 66 -17.556 34.065 15.749 1.00 40.52 H new ATOM 0 HA PHE B 66 -17.135 31.893 17.269 1.00 39.95 H new ATOM 0 HB2 PHE B 66 -16.046 34.523 17.506 1.00 40.21 H new ATOM 0 HB3 PHE B 66 -15.720 33.420 18.559 1.00 40.21 H new ATOM 0 HD1 PHE B 66 -14.572 31.302 17.664 1.00 41.35 H new ATOM 0 HD2 PHE B 66 -14.574 34.768 15.679 1.00 40.04 H new ATOM 0 HE1 PHE B 66 -12.843 30.519 16.349 1.00 43.33 H new ATOM 0 HE2 PHE B 66 -12.752 34.049 14.406 1.00 44.78 H new ATOM 0 HZ PHE B 66 -11.895 31.896 14.720 1.00 43.23 H new ATOM 2068 N HIS B 67 -19.482 33.537 18.015 1.00 41.27 N ATOM 2069 CA HIS B 67 -20.493 33.853 19.006 1.00 41.11 C ATOM 2070 C HIS B 67 -20.854 32.699 19.947 1.00 40.27 C ATOM 2071 O HIS B 67 -21.027 32.947 21.144 1.00 40.35 O ATOM 2072 CB HIS B 67 -21.743 34.478 18.396 1.00 44.34 C ATOM 2073 CG HIS B 67 -22.689 35.015 19.427 1.00 50.53 C ATOM 2074 ND1 HIS B 67 -22.411 36.146 20.171 1.00 57.66 N ATOM 2075 CD2 HIS B 67 -23.872 34.542 19.885 1.00 55.00 C ATOM 2076 CE1 HIS B 67 -23.399 36.362 21.021 1.00 52.79 C ATOM 2077 NE2 HIS B 67 -24.298 35.404 20.868 1.00 55.26 N ATOM 0 H HIS B 67 -19.731 33.652 17.200 1.00 41.27 H new ATOM 0 HA HIS B 67 -20.066 34.521 19.565 1.00 41.11 H new ATOM 0 HB2 HIS B 67 -21.481 35.196 17.799 1.00 44.34 H new ATOM 0 HB3 HIS B 67 -22.201 33.814 17.858 1.00 44.34 H new ATOM 0 HD2 HIS B 67 -24.313 33.778 19.590 1.00 55.00 H new ATOM 0 HE1 HIS B 67 -23.453 37.068 21.624 1.00 52.79 H new ATOM 0 HE2 HIS B 67 -25.031 35.332 21.312 1.00 55.26 H new ATOM 2078 N PRO B 68 -21.004 31.454 19.428 1.00 37.95 N ATOM 2079 CA PRO B 68 -21.236 30.334 20.365 1.00 40.21 C ATOM 2080 C PRO B 68 -20.187 30.245 21.495 1.00 37.51 C ATOM 2081 O PRO B 68 -20.556 29.958 22.643 1.00 37.48 O ATOM 2082 CB PRO B 68 -21.202 29.092 19.448 1.00 39.42 C ATOM 2083 CG PRO B 68 -21.665 29.621 18.127 1.00 40.83 C ATOM 2084 CD PRO B 68 -21.089 30.998 18.023 1.00 39.95 C ATOM 0 HA PRO B 68 -22.071 30.436 20.848 1.00 40.21 H new ATOM 0 HB2 PRO B 68 -20.310 28.716 19.389 1.00 39.42 H new ATOM 0 HB3 PRO B 68 -21.785 28.390 19.776 1.00 39.42 H new ATOM 0 HG2 PRO B 68 -21.358 29.058 17.399 1.00 40.83 H new ATOM 0 HG3 PRO B 68 -22.634 29.643 18.080 1.00 40.83 H new ATOM 0 HD2 PRO B 68 -20.217 30.988 17.599 1.00 39.95 H new ATOM 0 HD3 PRO B 68 -21.655 31.581 17.493 1.00 39.95 H new HETATM 2085 N MSE B 69 -18.919 30.541 21.183 1.00 39.16 N HETATM 2086 CA MSE B 69 -17.850 30.517 22.175 1.00 38.69 C HETATM 2087 C MSE B 69 -17.958 31.701 23.141 1.00 38.91 C HETATM 2088 O MSE B 69 -17.729 31.546 24.353 1.00 35.61 O HETATM 2089 CB MSE B 69 -16.473 30.504 21.515 1.00 38.54 C HETATM 2090 CG MSE B 69 -16.163 29.300 20.604 1.00 38.72 C HETATM 2091 SE MSE B 69 -16.342 27.599 21.479 0.75 41.26 SE HETATM 2092 CE MSE B 69 -18.110 27.202 21.188 1.00 35.66 C HETATM 0 H MSE B 69 -18.661 30.760 20.392 1.00 39.16 H new HETATM 0 HA MSE B 69 -17.953 29.696 22.681 1.00 38.69 H new HETATM 0 HB2 MSE B 69 -16.379 31.315 20.991 1.00 38.54 H new HETATM 0 HB3 MSE B 69 -15.801 30.538 22.213 1.00 38.54 H new HETATM 0 HG2 MSE B 69 -16.757 29.324 19.837 1.00 38.72 H new HETATM 0 HG3 MSE B 69 -15.258 29.386 20.265 1.00 38.72 H new HETATM 0 HE1 MSE B 69 -18.321 26.346 21.593 1.00 35.66 H new HETATM 0 HE2 MSE B 69 -18.666 27.892 21.583 1.00 35.66 H new HETATM 0 HE3 MSE B 69 -18.279 27.157 20.234 1.00 35.66 H new ATOM 2093 N VAL B 70 -18.360 32.861 22.614 1.00 38.83 N ATOM 2094 CA VAL B 70 -18.548 34.065 23.419 1.00 40.50 C ATOM 2095 C VAL B 70 -19.661 33.845 24.428 1.00 39.86 C ATOM 2096 O VAL B 70 -19.496 34.185 25.594 1.00 39.61 O ATOM 2097 CB VAL B 70 -18.852 35.310 22.534 1.00 40.87 C ATOM 2098 CG1 VAL B 70 -19.351 36.525 23.374 1.00 41.19 C ATOM 2099 CG2 VAL B 70 -17.624 35.651 21.694 1.00 37.03 C ATOM 0 H VAL B 70 -18.531 32.969 21.778 1.00 38.83 H new ATOM 0 HA VAL B 70 -17.719 34.241 23.891 1.00 40.50 H new ATOM 0 HB VAL B 70 -19.583 35.091 21.935 1.00 40.87 H new ATOM 0 HG11 VAL B 70 -19.528 37.275 22.785 1.00 41.19 H new ATOM 0 HG12 VAL B 70 -20.166 36.283 23.841 1.00 41.19 H new ATOM 0 HG13 VAL B 70 -18.671 36.774 24.019 1.00 41.19 H new ATOM 0 HG21 VAL B 70 -17.814 36.426 21.143 1.00 37.03 H new ATOM 0 HG22 VAL B 70 -16.875 35.846 22.279 1.00 37.03 H new ATOM 0 HG23 VAL B 70 -17.401 34.897 21.125 1.00 37.03 H new ATOM 2100 N GLU B 71 -20.791 33.302 23.966 1.00 39.12 N ATOM 2101 CA GLU B 71 -21.923 32.970 24.848 1.00 38.60 C ATOM 2102 C GLU B 71 -21.549 32.077 26.014 1.00 37.14 C ATOM 2103 O GLU B 71 -21.994 32.305 27.134 1.00 34.79 O ATOM 2104 CB GLU B 71 -23.059 32.269 24.100 1.00 42.14 C ATOM 2105 CG GLU B 71 -23.958 33.171 23.318 1.00 57.55 C ATOM 2106 CD GLU B 71 -25.238 32.464 22.853 1.00 65.51 C ATOM 2107 OE1 GLU B 71 -25.805 31.645 23.622 1.00 76.16 O ATOM 2108 OE2 GLU B 71 -25.685 32.750 21.723 1.00 81.43 O ATOM 0 H GLU B 71 -20.925 33.116 23.137 1.00 39.12 H new ATOM 0 HA GLU B 71 -22.210 33.834 25.183 1.00 38.60 H new ATOM 0 HB2 GLU B 71 -22.674 31.616 23.495 1.00 42.14 H new ATOM 0 HB3 GLU B 71 -23.596 31.779 24.742 1.00 42.14 H new ATOM 0 HG2 GLU B 71 -24.195 33.938 23.862 1.00 57.55 H new ATOM 0 HG3 GLU B 71 -23.479 33.509 22.545 1.00 57.55 H new ATOM 2109 N ILE B 72 -20.737 31.056 25.738 1.00 37.12 N ATOM 2110 CA ILE B 72 -20.248 30.142 26.771 1.00 36.78 C ATOM 2111 C ILE B 72 -19.414 30.901 27.807 1.00 38.00 C ATOM 2112 O ILE B 72 -19.641 30.755 29.003 1.00 39.69 O ATOM 2113 CB ILE B 72 -19.424 28.987 26.145 1.00 36.80 C ATOM 2114 CG1 ILE B 72 -20.376 28.056 25.388 1.00 39.11 C ATOM 2115 CG2 ILE B 72 -18.698 28.192 27.220 1.00 39.37 C ATOM 2116 CD1 ILE B 72 -19.686 26.933 24.615 1.00 37.47 C ATOM 0 H ILE B 72 -20.454 30.874 24.946 1.00 37.12 H new ATOM 0 HA ILE B 72 -21.016 29.754 27.219 1.00 36.78 H new ATOM 0 HB ILE B 72 -18.764 29.364 25.543 1.00 36.80 H new ATOM 0 HG12 ILE B 72 -20.997 27.663 26.021 1.00 39.11 H new ATOM 0 HG13 ILE B 72 -20.901 28.585 24.767 1.00 39.11 H new ATOM 0 HG21 ILE B 72 -18.190 27.476 26.806 1.00 39.37 H new ATOM 0 HG22 ILE B 72 -18.095 28.778 27.704 1.00 39.37 H new ATOM 0 HG23 ILE B 72 -19.345 27.814 27.836 1.00 39.37 H new ATOM 0 HD11 ILE B 72 -20.354 26.391 24.166 1.00 37.47 H new ATOM 0 HD12 ILE B 72 -19.084 27.315 23.957 1.00 37.47 H new ATOM 0 HD13 ILE B 72 -19.181 26.379 25.231 1.00 37.47 H new HETATM 2117 N MSE B 73 -18.470 31.723 27.339 1.00 35.20 N HETATM 2118 CA MSE B 73 -17.617 32.500 28.250 1.00 38.11 C HETATM 2119 C MSE B 73 -18.441 33.461 29.106 1.00 37.70 C HETATM 2120 O MSE B 73 -18.219 33.570 30.314 1.00 39.36 O HETATM 2121 CB MSE B 73 -16.513 33.253 27.494 1.00 39.28 C HETATM 2122 CG MSE B 73 -15.519 32.349 26.818 1.00 38.30 C HETATM 2123 SE MSE B 73 -14.033 33.291 26.016 0.75 36.11 SE HETATM 2124 CE MSE B 73 -14.957 34.435 24.787 1.00 37.30 C HETATM 0 H MSE B 73 -18.307 31.846 26.504 1.00 35.20 H new HETATM 0 HA MSE B 73 -17.187 31.865 28.843 1.00 38.11 H new HETATM 0 HB2 MSE B 73 -16.922 33.827 26.827 1.00 39.28 H new HETATM 0 HB3 MSE B 73 -16.043 33.831 28.115 1.00 39.28 H new HETATM 0 HG2 MSE B 73 -15.177 31.714 27.467 1.00 38.30 H new HETATM 0 HG3 MSE B 73 -15.974 31.836 26.132 1.00 38.30 H new HETATM 0 HE1 MSE B 73 -14.314 34.978 24.305 1.00 37.30 H new HETATM 0 HE2 MSE B 73 -15.460 33.895 24.158 1.00 37.30 H new HETATM 0 HE3 MSE B 73 -15.565 35.012 25.276 1.00 37.30 H new ATOM 2125 N GLU B 74 -19.392 34.147 28.486 1.00 38.53 N ATOM 2126 CA GLU B 74 -20.278 35.059 29.210 1.00 39.88 C ATOM 2127 C GLU B 74 -21.105 34.331 30.273 1.00 40.47 C ATOM 2128 O GLU B 74 -21.251 34.845 31.389 1.00 42.05 O ATOM 2129 CB GLU B 74 -21.136 35.878 28.245 1.00 39.69 C ATOM 2130 CG GLU B 74 -20.232 36.902 27.522 1.00 40.90 C ATOM 2131 CD GLU B 74 -20.830 37.619 26.354 1.00 45.92 C ATOM 2132 OE1 GLU B 74 -21.996 37.348 25.974 1.00 43.96 O ATOM 2133 OE2 GLU B 74 -20.068 38.462 25.793 1.00 51.48 O ATOM 0 H GLU B 74 -19.544 34.100 27.641 1.00 38.53 H new ATOM 0 HA GLU B 74 -19.722 35.690 29.694 1.00 39.88 H new ATOM 0 HB2 GLU B 74 -21.566 35.295 27.600 1.00 39.69 H new ATOM 0 HB3 GLU B 74 -21.842 36.335 28.728 1.00 39.69 H new ATOM 0 HG2 GLU B 74 -19.947 37.565 28.170 1.00 40.90 H new ATOM 0 HG3 GLU B 74 -19.435 36.441 27.218 1.00 40.90 H new ATOM 2134 N ASP B 75 -21.608 33.143 29.932 1.00 41.05 N ATOM 2135 CA ASP B 75 -22.374 32.320 30.883 1.00 40.09 C ATOM 2136 C ASP B 75 -21.517 31.949 32.101 1.00 39.13 C ATOM 2137 O ASP B 75 -21.987 32.047 33.235 1.00 41.29 O ATOM 2138 CB ASP B 75 -22.897 31.029 30.237 1.00 43.41 C ATOM 2139 CG ASP B 75 -24.029 31.255 29.218 1.00 48.41 C ATOM 2140 OD1 ASP B 75 -24.611 32.357 29.152 1.00 49.14 O ATOM 2141 OD2 ASP B 75 -24.325 30.284 28.471 1.00 62.92 O ATOM 0 H ASP B 75 -21.518 32.791 29.152 1.00 41.05 H new ATOM 0 HA ASP B 75 -23.131 32.857 31.163 1.00 40.09 H new ATOM 0 HB2 ASP B 75 -22.161 30.578 29.795 1.00 43.41 H new ATOM 0 HB3 ASP B 75 -23.216 30.435 30.934 1.00 43.41 H new ATOM 2142 N VAL B 76 -20.273 31.531 31.860 1.00 40.37 N ATOM 2143 CA VAL B 76 -19.364 31.156 32.946 1.00 40.92 C ATOM 2144 C VAL B 76 -19.071 32.367 33.857 1.00 41.36 C ATOM 2145 O VAL B 76 -19.202 32.250 35.071 1.00 42.38 O ATOM 2146 CB VAL B 76 -18.044 30.552 32.430 1.00 39.07 C ATOM 2147 CG1 VAL B 76 -17.045 30.353 33.569 1.00 39.06 C ATOM 2148 CG2 VAL B 76 -18.299 29.221 31.666 1.00 41.34 C ATOM 0 H VAL B 76 -19.935 31.457 31.073 1.00 40.37 H new ATOM 0 HA VAL B 76 -19.815 30.469 33.461 1.00 40.92 H new ATOM 0 HB VAL B 76 -17.654 31.182 31.804 1.00 39.07 H new ATOM 0 HG11 VAL B 76 -16.225 29.972 33.218 1.00 39.06 H new ATOM 0 HG12 VAL B 76 -16.852 31.208 33.984 1.00 39.06 H new ATOM 0 HG13 VAL B 76 -17.423 29.752 34.230 1.00 39.06 H new ATOM 0 HG21 VAL B 76 -17.455 28.861 31.352 1.00 41.34 H new ATOM 0 HG22 VAL B 76 -18.721 28.582 32.261 1.00 41.34 H new ATOM 0 HG23 VAL B 76 -18.880 29.389 30.908 1.00 41.34 H new ATOM 2149 N LEU B 77 -18.699 33.502 33.260 1.00 40.17 N ATOM 2150 CA ALEU B 77 -18.400 34.742 34.001 0.50 40.51 C ATOM 2151 CA BLEU B 77 -18.395 34.706 34.040 0.50 41.21 C ATOM 2152 C LEU B 77 -19.607 35.268 34.786 1.00 42.30 C ATOM 2153 O LEU B 77 -19.450 35.772 35.890 1.00 45.50 O ATOM 2154 CB ALEU B 77 -17.823 35.831 33.078 0.50 39.56 C ATOM 2155 CB BLEU B 77 -17.676 35.778 33.217 0.50 41.19 C ATOM 2156 CG ALEU B 77 -16.306 35.768 32.842 0.50 39.61 C ATOM 2157 CG BLEU B 77 -16.162 35.528 33.143 0.50 42.23 C ATOM 2158 CD1ALEU B 77 -15.547 36.351 34.058 0.50 31.60 C ATOM 2159 CD1BLEU B 77 -15.804 34.321 32.271 0.50 39.90 C ATOM 2160 CD2ALEU B 77 -15.811 34.354 32.504 0.50 34.07 C ATOM 2161 CD2BLEU B 77 -15.480 36.790 32.666 0.50 45.45 C ATOM 0 H ALEU B 77 -18.611 33.579 32.408 0.50 40.17 H new ATOM 0 H BLEU B 77 -18.617 33.596 32.409 0.50 40.17 H new ATOM 0 HA ALEU B 77 -17.720 34.510 34.653 0.50 41.21 H new ATOM 0 HA BLEU B 77 -17.772 34.416 34.725 0.50 41.21 H new ATOM 0 HB2ALEU B 77 -18.270 35.774 32.219 0.50 41.19 H new ATOM 0 HB2BLEU B 77 -18.044 35.797 32.320 0.50 41.19 H new ATOM 0 HB3ALEU B 77 -18.040 36.699 33.454 0.50 41.19 H new ATOM 0 HB3BLEU B 77 -17.840 36.650 33.609 0.50 41.19 H new ATOM 0 HG ALEU B 77 -16.117 36.313 32.062 0.50 42.23 H new ATOM 0 HG BLEU B 77 -15.843 35.306 34.032 0.50 42.23 H new ATOM 0 HD11ALEU B 77 -14.592 36.305 33.896 0.50 39.90 H new ATOM 0 HD11BLEU B 77 -14.841 34.206 32.257 0.50 39.90 H new ATOM 0 HD12ALEU B 77 -15.808 37.276 34.190 0.50 39.90 H new ATOM 0 HD12BLEU B 77 -16.219 33.524 32.636 0.50 39.90 H new ATOM 0 HD13ALEU B 77 -15.765 35.838 34.852 0.50 39.90 H new ATOM 0 HD13BLEU B 77 -16.125 34.468 31.367 0.50 39.90 H new ATOM 0 HD21ALEU B 77 -14.851 34.371 32.365 0.50 45.45 H new ATOM 0 HD21BLEU B 77 -14.523 36.642 32.616 0.50 45.45 H new ATOM 0 HD22ALEU B 77 -16.021 33.754 33.237 0.50 45.45 H new ATOM 0 HD22BLEU B 77 -15.816 37.028 31.788 0.50 45.45 H new ATOM 0 HD23ALEU B 77 -16.248 34.042 31.696 0.50 45.45 H new ATOM 0 HD23BLEU B 77 -15.663 37.512 33.288 0.50 45.45 H new ATOM 2162 N ALA B 78 -20.793 35.132 34.208 1.00 41.44 N ATOM 2163 CA ALA B 78 -22.048 35.567 34.841 1.00 42.51 C ATOM 2164 C ALA B 78 -22.446 34.664 36.016 1.00 44.45 C ATOM 2165 O ALA B 78 -23.252 35.082 36.839 1.00 46.15 O ATOM 2166 CB ALA B 78 -23.199 35.620 33.809 1.00 40.32 C ATOM 0 H ALA B 78 -20.901 34.782 33.430 1.00 41.44 H new ATOM 0 HA ALA B 78 -21.890 36.459 35.189 1.00 42.51 H new ATOM 0 HB1 ALA B 78 -24.014 35.909 34.248 1.00 40.32 H new ATOM 0 HB2 ALA B 78 -22.973 36.246 33.104 1.00 40.32 H new ATOM 0 HB3 ALA B 78 -23.332 34.738 33.427 1.00 40.32 H new ATOM 2167 N SER B 79 -21.918 33.436 36.085 1.00 44.35 N ATOM 2168 CA SER B 79 -22.251 32.502 37.166 1.00 44.53 C ATOM 2169 C SER B 79 -21.698 32.923 38.536 1.00 46.64 C ATOM 2170 O SER B 79 -20.847 33.827 38.640 1.00 46.50 O ATOM 2171 CB SER B 79 -21.741 31.089 36.854 1.00 41.42 C ATOM 2172 OG SER B 79 -20.337 30.966 37.058 1.00 41.71 O ATOM 0 H SER B 79 -21.360 33.124 35.510 1.00 44.35 H new ATOM 0 HA SER B 79 -23.220 32.513 37.217 1.00 44.53 H new ATOM 0 HB2 SER B 79 -22.205 30.448 37.415 1.00 41.42 H new ATOM 0 HB3 SER B 79 -21.953 30.866 35.934 1.00 41.42 H new ATOM 0 HG SER B 79 -19.935 31.540 36.595 1.00 41.71 H new ATOM 2173 N ASP B 80 -22.210 32.246 39.566 1.00 49.81 N ATOM 2174 CA AASP B 80 -21.769 32.470 40.957 0.50 49.49 C ATOM 2175 CA BASP B 80 -21.791 32.448 40.965 0.50 49.34 C ATOM 2176 C ASP B 80 -20.677 31.462 41.362 1.00 48.81 C ATOM 2177 O ASP B 80 -20.354 31.332 42.552 1.00 50.27 O ATOM 2178 CB AASP B 80 -22.975 32.402 41.913 0.50 49.87 C ATOM 2179 CB BASP B 80 -22.998 32.315 41.928 0.50 49.60 C ATOM 2180 CG AASP B 80 -24.013 33.491 41.639 0.50 53.99 C ATOM 2181 CG BASP B 80 -23.547 30.876 42.041 0.50 52.51 C ATOM 2182 OD1AASP B 80 -23.631 34.641 41.318 0.50 57.59 O ATOM 2183 OD1BASP B 80 -24.241 30.598 43.044 0.50 60.49 O ATOM 2184 OD2AASP B 80 -25.222 33.198 41.769 0.50 61.53 O ATOM 2185 OD2BASP B 80 -23.290 30.025 41.156 0.50 57.13 O ATOM 0 H AASP B 80 -22.820 31.646 39.484 0.50 49.81 H new ATOM 0 H BASP B 80 -22.820 31.647 39.474 0.50 49.81 H new ATOM 0 HA AASP B 80 -21.380 33.357 41.018 0.50 49.34 H new ATOM 0 HA BASP B 80 -21.437 33.348 41.038 0.50 49.34 H new ATOM 0 HB2AASP B 80 -23.397 31.532 41.833 0.50 49.60 H new ATOM 0 HB2BASP B 80 -22.734 32.622 42.809 0.50 49.60 H new ATOM 0 HB3AASP B 80 -22.662 32.483 42.828 0.50 49.60 H new ATOM 0 HB3BASP B 80 -23.709 32.901 41.625 0.50 49.60 H new ATOM 2186 N LEU B 81 -20.086 30.764 40.379 1.00 44.48 N ATOM 2187 CA LEU B 81 -19.048 29.788 40.659 1.00 42.67 C ATOM 2188 C LEU B 81 -17.794 30.458 41.211 1.00 42.12 C ATOM 2189 O LEU B 81 -17.465 31.594 40.803 1.00 38.92 O ATOM 2190 CB LEU B 81 -18.659 29.009 39.393 1.00 43.28 C ATOM 2191 CG LEU B 81 -19.688 28.084 38.743 1.00 45.23 C ATOM 2192 CD1 LEU B 81 -19.135 27.597 37.366 1.00 40.73 C ATOM 2193 CD2 LEU B 81 -20.046 26.917 39.668 1.00 41.62 C ATOM 0 H LEU B 81 -20.280 30.849 39.545 1.00 44.48 H new ATOM 0 HA LEU B 81 -19.412 29.178 41.320 1.00 42.67 H new ATOM 0 HB2 LEU B 81 -18.384 29.656 38.725 1.00 43.28 H new ATOM 0 HB3 LEU B 81 -17.879 28.474 39.607 1.00 43.28 H new ATOM 0 HG LEU B 81 -20.513 28.571 38.590 1.00 45.23 H new ATOM 0 HD11 LEU B 81 -19.783 27.009 36.947 1.00 40.73 H new ATOM 0 HD12 LEU B 81 -18.975 28.363 36.792 1.00 40.73 H new ATOM 0 HD13 LEU B 81 -18.304 27.116 37.503 1.00 40.73 H new ATOM 0 HD21 LEU B 81 -20.699 26.347 39.232 1.00 41.62 H new ATOM 0 HD22 LEU B 81 -19.247 26.402 39.864 1.00 41.62 H new ATOM 0 HD23 LEU B 81 -20.419 27.262 40.495 1.00 41.62 H new ATOM 2194 N PRO B 82 -17.090 29.781 42.141 1.00 41.34 N ATOM 2195 CA PRO B 82 -15.789 30.318 42.580 1.00 41.31 C ATOM 2196 C PRO B 82 -14.786 30.354 41.422 1.00 41.77 C ATOM 2197 O PRO B 82 -15.000 29.636 40.435 1.00 39.65 O ATOM 2198 CB PRO B 82 -15.351 29.343 43.673 1.00 42.75 C ATOM 2199 CG PRO B 82 -16.110 28.128 43.426 1.00 46.79 C ATOM 2200 CD PRO B 82 -17.423 28.538 42.858 1.00 42.08 C ATOM 0 HA PRO B 82 -15.844 31.233 42.897 1.00 41.31 H new ATOM 0 HB2 PRO B 82 -14.397 29.175 43.631 1.00 42.75 H new ATOM 0 HB3 PRO B 82 -15.537 29.699 44.556 1.00 42.75 H new ATOM 0 HG2 PRO B 82 -15.636 27.548 42.810 1.00 46.79 H new ATOM 0 HG3 PRO B 82 -16.234 27.628 44.248 1.00 46.79 H new ATOM 0 HD2 PRO B 82 -17.784 27.864 42.262 1.00 42.08 H new ATOM 0 HD3 PRO B 82 -18.085 28.688 43.551 1.00 42.08 H new ATOM 2201 N PRO B 83 -13.723 31.196 41.509 1.00 39.93 N ATOM 2202 CA PRO B 83 -12.769 31.345 40.403 1.00 40.68 C ATOM 2203 C PRO B 83 -12.136 30.067 39.837 1.00 37.73 C ATOM 2204 O PRO B 83 -11.979 29.951 38.625 1.00 38.09 O ATOM 2205 CB PRO B 83 -11.684 32.243 41.001 1.00 42.09 C ATOM 2206 CG PRO B 83 -12.363 33.001 42.056 1.00 40.87 C ATOM 2207 CD PRO B 83 -13.403 32.119 42.618 1.00 42.65 C ATOM 0 HA PRO B 83 -13.240 31.692 39.629 1.00 40.68 H new ATOM 0 HB2 PRO B 83 -10.952 31.718 41.361 1.00 42.09 H new ATOM 0 HB3 PRO B 83 -11.307 32.834 40.330 1.00 42.09 H new ATOM 0 HG2 PRO B 83 -11.734 33.272 42.743 1.00 40.87 H new ATOM 0 HG3 PRO B 83 -12.757 33.811 41.697 1.00 40.87 H new ATOM 0 HD2 PRO B 83 -13.080 31.640 43.397 1.00 42.65 H new ATOM 0 HD3 PRO B 83 -14.183 32.623 42.898 1.00 42.65 H new ATOM 2208 N ARG B 84 -11.834 29.101 40.696 1.00 37.48 N ATOM 2209 CA ARG B 84 -11.244 27.838 40.248 1.00 37.21 C ATOM 2210 C ARG B 84 -12.221 27.073 39.362 1.00 37.82 C ATOM 2211 O ARG B 84 -11.812 26.530 38.330 1.00 39.29 O ATOM 2212 CB ARG B 84 -10.813 26.982 41.444 1.00 37.53 C ATOM 2213 CG ARG B 84 -9.997 25.751 41.054 1.00 39.91 C ATOM 2214 CD ARG B 84 -9.834 24.842 42.228 1.00 39.41 C ATOM 2215 NE ARG B 84 -9.040 25.469 43.284 1.00 40.42 N ATOM 2216 CZ ARG B 84 -7.827 25.098 43.697 1.00 39.92 C ATOM 2217 NH1 ARG B 84 -7.229 24.030 43.228 1.00 40.19 N ATOM 2218 NH2 ARG B 84 -7.242 25.772 44.680 1.00 39.36 N ATOM 0 H ARG B 84 -11.962 29.154 41.545 1.00 37.48 H new ATOM 0 HA ARG B 84 -10.454 28.043 39.724 1.00 37.21 H new ATOM 0 HB2 ARG B 84 -10.290 27.528 42.051 1.00 37.53 H new ATOM 0 HB3 ARG B 84 -11.603 26.696 41.929 1.00 37.53 H new ATOM 0 HG2 ARG B 84 -10.438 25.279 40.331 1.00 39.91 H new ATOM 0 HG3 ARG B 84 -9.126 26.024 40.725 1.00 39.91 H new ATOM 0 HD2 ARG B 84 -10.707 24.602 42.577 1.00 39.41 H new ATOM 0 HD3 ARG B 84 -9.406 24.019 41.945 1.00 39.41 H new ATOM 0 HE ARG B 84 -9.391 26.147 43.680 1.00 40.42 H new ATOM 0 HH11 ARG B 84 -7.619 23.544 42.635 1.00 40.19 H new ATOM 0 HH12 ARG B 84 -6.447 23.815 43.513 1.00 40.19 H new ATOM 0 HH21 ARG B 84 -7.645 26.439 45.043 1.00 39.36 H new ATOM 0 HH22 ARG B 84 -6.460 25.541 44.954 1.00 39.36 H new ATOM 2219 N ARG B 85 -13.483 27.020 39.792 1.00 38.92 N ATOM 2220 CA ARG B 85 -14.570 26.401 39.016 1.00 38.18 C ATOM 2221 C ARG B 85 -14.796 27.188 37.717 1.00 39.24 C ATOM 2222 O ARG B 85 -14.975 26.577 36.660 1.00 37.91 O ATOM 2223 CB ARG B 85 -15.853 26.339 39.823 1.00 39.00 C ATOM 2224 CG ARG B 85 -15.838 25.362 40.981 1.00 37.96 C ATOM 2225 CD ARG B 85 -16.124 23.916 40.568 1.00 38.38 C ATOM 2226 NE ARG B 85 -17.402 23.796 39.861 1.00 40.04 N ATOM 2227 CZ ARG B 85 -17.567 23.590 38.553 1.00 40.71 C ATOM 2228 NH1 ARG B 85 -16.545 23.429 37.722 1.00 41.44 N ATOM 2229 NH2 ARG B 85 -18.796 23.539 38.065 1.00 38.85 N ATOM 0 H ARG B 85 -13.737 27.344 40.547 1.00 38.92 H new ATOM 0 HA ARG B 85 -14.311 25.492 38.799 1.00 38.18 H new ATOM 0 HB2 ARG B 85 -16.045 27.225 40.168 1.00 39.00 H new ATOM 0 HB3 ARG B 85 -16.582 26.103 39.228 1.00 39.00 H new ATOM 0 HG2 ARG B 85 -14.972 25.401 41.416 1.00 37.96 H new ATOM 0 HG3 ARG B 85 -16.497 25.639 41.637 1.00 37.96 H new ATOM 0 HD2 ARG B 85 -15.408 23.594 39.999 1.00 38.38 H new ATOM 0 HD3 ARG B 85 -16.136 23.351 41.356 1.00 38.38 H new ATOM 0 HE ARG B 85 -18.116 23.865 40.336 1.00 40.04 H new ATOM 0 HH11 ARG B 85 -15.739 23.456 38.021 1.00 41.44 H new ATOM 0 HH12 ARG B 85 -16.689 23.298 36.884 1.00 41.44 H new ATOM 0 HH21 ARG B 85 -19.471 23.638 38.589 1.00 38.85 H new ATOM 0 HH22 ARG B 85 -18.920 23.407 37.224 1.00 38.85 H new ATOM 2230 N LYS B 86 -14.791 28.523 37.794 1.00 38.79 N ATOM 2231 CA LYS B 86 -14.923 29.345 36.573 1.00 38.72 C ATOM 2232 C LYS B 86 -13.811 29.079 35.578 1.00 37.78 C ATOM 2233 O LYS B 86 -14.083 28.958 34.384 1.00 37.59 O ATOM 2234 CB LYS B 86 -14.976 30.848 36.867 1.00 38.97 C ATOM 2235 CG LYS B 86 -16.281 31.315 37.401 1.00 40.88 C ATOM 2236 CD LYS B 86 -16.302 32.833 37.559 1.00 42.97 C ATOM 2237 CE LYS B 86 -17.671 33.311 37.941 1.00 45.93 C ATOM 2238 NZ LYS B 86 -17.636 34.666 38.505 1.00 44.95 N ATOM 0 H LYS B 86 -14.714 28.969 38.525 1.00 38.79 H new ATOM 0 HA LYS B 86 -15.770 29.077 36.184 1.00 38.72 H new ATOM 0 HB2 LYS B 86 -14.279 31.068 37.505 1.00 38.97 H new ATOM 0 HB3 LYS B 86 -14.778 31.335 36.052 1.00 38.97 H new ATOM 0 HG2 LYS B 86 -16.995 31.040 36.804 1.00 40.88 H new ATOM 0 HG3 LYS B 86 -16.451 30.896 38.259 1.00 40.88 H new ATOM 0 HD2 LYS B 86 -15.661 33.101 38.236 1.00 42.97 H new ATOM 0 HD3 LYS B 86 -16.029 33.252 36.728 1.00 42.97 H new ATOM 0 HE2 LYS B 86 -18.247 33.300 37.161 1.00 45.93 H new ATOM 0 HE3 LYS B 86 -18.058 32.701 38.588 1.00 45.93 H new ATOM 0 HZ1 LYS B 86 -18.461 34.919 38.721 1.00 44.95 H new ATOM 0 HZ2 LYS B 86 -17.124 34.672 39.233 1.00 44.95 H new ATOM 0 HZ3 LYS B 86 -17.301 35.230 37.903 1.00 44.95 H new HETATM 2239 N MSE B 87 -12.571 28.997 36.056 1.00 38.01 N HETATM 2240 CA MSE B 87 -11.441 28.763 35.165 1.00 36.91 C HETATM 2241 C MSE B 87 -11.604 27.410 34.438 1.00 39.32 C HETATM 2242 O MSE B 87 -11.455 27.345 33.213 1.00 39.03 O HETATM 2243 CB MSE B 87 -10.094 28.825 35.861 1.00 41.05 C HETATM 2244 CG MSE B 87 -8.979 28.646 34.849 1.00 37.86 C HETATM 2245 SE MSE B 87 -7.213 28.779 35.572 0.75 38.39 SE HETATM 2246 CE MSE B 87 -7.275 30.672 36.027 1.00 40.55 C HETATM 0 H MSE B 87 -12.365 29.074 36.887 1.00 38.01 H new HETATM 0 HA MSE B 87 -11.449 29.488 34.521 1.00 36.91 H new HETATM 0 HB2 MSE B 87 -9.995 29.676 36.315 1.00 41.05 H new HETATM 0 HB3 MSE B 87 -10.040 28.134 36.539 1.00 41.05 H new HETATM 0 HG2 MSE B 87 -9.078 27.778 34.427 1.00 37.86 H new HETATM 0 HG3 MSE B 87 -9.081 29.313 34.152 1.00 37.86 H new HETATM 0 HE1 MSE B 87 -6.431 30.937 36.424 1.00 40.55 H new HETATM 0 HE2 MSE B 87 -7.432 31.193 35.224 1.00 40.55 H new HETATM 0 HE3 MSE B 87 -7.993 30.830 36.660 1.00 40.55 H new ATOM 2247 N TYR B 88 -11.909 26.357 35.200 1.00 37.50 N ATOM 2248 CA TYR B 88 -12.200 25.045 34.610 1.00 35.90 C ATOM 2249 C TYR B 88 -13.314 25.102 33.535 1.00 35.51 C ATOM 2250 O TYR B 88 -13.123 24.618 32.402 1.00 36.47 O ATOM 2251 CB TYR B 88 -12.537 23.989 35.700 1.00 37.88 C ATOM 2252 CG TYR B 88 -12.961 22.693 35.065 1.00 39.74 C ATOM 2253 CD1 TYR B 88 -12.006 21.778 34.612 1.00 39.08 C ATOM 2254 CD2 TYR B 88 -14.303 22.414 34.854 1.00 38.04 C ATOM 2255 CE1 TYR B 88 -12.380 20.621 33.952 1.00 42.37 C ATOM 2256 CE2 TYR B 88 -14.710 21.238 34.187 1.00 41.39 C ATOM 2257 CZ TYR B 88 -13.735 20.360 33.742 1.00 37.08 C ATOM 2258 OH TYR B 88 -14.102 19.214 33.100 1.00 40.65 O ATOM 0 H TYR B 88 -11.953 26.380 36.059 1.00 37.50 H new ATOM 0 HA TYR B 88 -11.387 24.768 34.159 1.00 35.90 H new ATOM 0 HB2 TYR B 88 -11.762 23.841 36.265 1.00 37.88 H new ATOM 0 HB3 TYR B 88 -13.246 24.322 36.273 1.00 37.88 H new ATOM 0 HD1 TYR B 88 -11.104 21.950 34.757 1.00 39.08 H new ATOM 0 HD2 TYR B 88 -14.947 23.013 35.157 1.00 38.04 H new ATOM 0 HE1 TYR B 88 -11.735 20.023 33.651 1.00 42.37 H new ATOM 0 HE2 TYR B 88 -15.612 21.057 34.050 1.00 41.39 H new ATOM 0 HH TYR B 88 -13.564 19.059 32.474 1.00 40.65 H new ATOM 2259 N GLU B 89 -14.451 25.670 33.896 1.00 35.62 N ATOM 2260 CA GLU B 89 -15.619 25.747 32.977 1.00 36.36 C ATOM 2261 C GLU B 89 -15.353 26.598 31.748 1.00 38.13 C ATOM 2262 O GLU B 89 -15.765 26.239 30.657 1.00 38.97 O ATOM 2263 CB GLU B 89 -16.875 26.201 33.714 1.00 38.16 C ATOM 2264 CG GLU B 89 -17.346 25.251 34.807 1.00 40.14 C ATOM 2265 CD GLU B 89 -17.815 23.895 34.300 1.00 45.14 C ATOM 2266 OE1 GLU B 89 -18.332 23.775 33.172 1.00 40.30 O ATOM 2267 OE2 GLU B 89 -17.680 22.930 35.063 1.00 40.39 O ATOM 0 H GLU B 89 -14.585 26.024 34.668 1.00 35.62 H new ATOM 0 HA GLU B 89 -15.772 24.846 32.652 1.00 36.36 H new ATOM 0 HB2 GLU B 89 -16.708 27.071 34.108 1.00 38.16 H new ATOM 0 HB3 GLU B 89 -17.591 26.314 33.069 1.00 38.16 H new ATOM 0 HG2 GLU B 89 -16.621 25.116 35.437 1.00 40.14 H new ATOM 0 HG3 GLU B 89 -18.072 25.671 35.295 1.00 40.14 H new ATOM 2268 N PHE B 90 -14.594 27.685 31.932 1.00 38.39 N ATOM 2269 CA PHE B 90 -14.172 28.608 30.879 1.00 37.83 C ATOM 2270 C PHE B 90 -13.460 27.846 29.747 1.00 37.20 C ATOM 2271 O PHE B 90 -13.721 28.085 28.576 1.00 37.66 O ATOM 2272 CB PHE B 90 -13.279 29.690 31.510 1.00 38.67 C ATOM 2273 CG PHE B 90 -12.705 30.679 30.550 1.00 37.61 C ATOM 2274 CD1 PHE B 90 -13.407 31.831 30.201 1.00 40.18 C ATOM 2275 CD2 PHE B 90 -11.393 30.530 30.095 1.00 36.93 C ATOM 2276 CE1 PHE B 90 -12.849 32.778 29.336 1.00 38.18 C ATOM 2277 CE2 PHE B 90 -10.835 31.480 29.213 1.00 37.34 C ATOM 2278 CZ PHE B 90 -11.575 32.604 28.852 1.00 38.41 C ATOM 0 H PHE B 90 -14.300 27.911 32.708 1.00 38.39 H new ATOM 0 HA PHE B 90 -14.942 29.039 30.476 1.00 37.83 H new ATOM 0 HB2 PHE B 90 -13.797 30.170 32.175 1.00 38.67 H new ATOM 0 HB3 PHE B 90 -12.550 29.255 31.978 1.00 38.67 H new ATOM 0 HD1 PHE B 90 -14.258 31.972 30.548 1.00 40.18 H new ATOM 0 HD2 PHE B 90 -10.885 29.802 30.374 1.00 36.93 H new ATOM 0 HE1 PHE B 90 -13.341 33.527 29.088 1.00 38.18 H new ATOM 0 HE2 PHE B 90 -9.978 31.356 28.874 1.00 37.34 H new ATOM 0 HZ PHE B 90 -11.205 33.239 28.281 1.00 38.41 H new ATOM 2279 N PHE B 91 -12.571 26.930 30.105 1.00 37.44 N ATOM 2280 CA PHE B 91 -11.915 26.076 29.126 1.00 37.19 C ATOM 2281 C PHE B 91 -12.726 24.855 28.726 1.00 37.46 C ATOM 2282 O PHE B 91 -12.836 24.571 27.513 1.00 36.90 O ATOM 2283 CB PHE B 91 -10.548 25.626 29.611 1.00 38.06 C ATOM 2284 CG PHE B 91 -9.556 26.726 29.657 1.00 39.88 C ATOM 2285 CD1 PHE B 91 -9.087 27.293 28.475 1.00 44.21 C ATOM 2286 CD2 PHE B 91 -9.067 27.202 30.862 1.00 39.63 C ATOM 2287 CE1 PHE B 91 -8.157 28.343 28.490 1.00 43.88 C ATOM 2288 CE2 PHE B 91 -8.134 28.261 30.895 1.00 37.97 C ATOM 2289 CZ PHE B 91 -7.679 28.824 29.710 1.00 44.46 C ATOM 0 H PHE B 91 -12.332 26.786 30.918 1.00 37.44 H new ATOM 0 HA PHE B 91 -11.824 26.632 28.336 1.00 37.19 H new ATOM 0 HB2 PHE B 91 -10.636 25.240 30.497 1.00 38.06 H new ATOM 0 HB3 PHE B 91 -10.218 24.925 29.027 1.00 38.06 H new ATOM 0 HD1 PHE B 91 -9.396 26.969 27.660 1.00 44.21 H new ATOM 0 HD2 PHE B 91 -9.357 26.820 31.659 1.00 39.63 H new ATOM 0 HE1 PHE B 91 -7.861 28.717 27.692 1.00 43.88 H new ATOM 0 HE2 PHE B 91 -7.824 28.582 31.711 1.00 37.97 H new ATOM 0 HZ PHE B 91 -7.060 29.517 29.729 1.00 44.46 H new ATOM 2290 N ALA B 92 -13.248 24.131 29.717 1.00 38.08 N ATOM 2291 CA ALA B 92 -13.949 22.853 29.462 1.00 37.59 C ATOM 2292 C ALA B 92 -15.168 22.921 28.556 1.00 38.34 C ATOM 2293 O ALA B 92 -15.335 22.055 27.682 1.00 38.82 O ATOM 2294 CB ALA B 92 -14.323 22.149 30.803 1.00 37.28 C ATOM 0 H ALA B 92 -13.211 24.356 30.546 1.00 38.08 H new ATOM 0 HA ALA B 92 -13.301 22.331 28.964 1.00 37.59 H new ATOM 0 HB1 ALA B 92 -14.781 21.315 30.614 1.00 37.28 H new ATOM 0 HB2 ALA B 92 -13.516 21.967 31.309 1.00 37.28 H new ATOM 0 HB3 ALA B 92 -14.905 22.727 31.321 1.00 37.28 H new ATOM 2295 N ARG B 93 -16.034 23.912 28.783 1.00 37.70 N ATOM 2296 CA ARG B 93 -17.282 24.026 28.009 1.00 38.05 C ATOM 2297 C ARG B 93 -17.021 24.280 26.510 1.00 39.47 C ATOM 2298 O ARG B 93 -17.713 23.740 25.663 1.00 39.67 O ATOM 2299 CB ARG B 93 -18.195 25.091 28.617 1.00 37.30 C ATOM 2300 CG ARG B 93 -18.696 24.747 29.993 1.00 34.44 C ATOM 2301 CD ARG B 93 -19.620 25.817 30.494 1.00 37.03 C ATOM 2302 NE ARG B 93 -20.005 25.626 31.884 1.00 40.67 N ATOM 2303 CZ ARG B 93 -20.835 26.423 32.555 1.00 45.79 C ATOM 2304 NH1 ARG B 93 -21.450 27.453 31.970 1.00 43.85 N ATOM 2305 NH2 ARG B 93 -21.088 26.146 33.823 1.00 42.65 N ATOM 0 H ARG B 93 -15.922 24.526 29.375 1.00 37.70 H new ATOM 0 HA ARG B 93 -17.739 23.172 28.062 1.00 38.05 H new ATOM 0 HB2 ARG B 93 -17.714 25.932 28.658 1.00 37.30 H new ATOM 0 HB3 ARG B 93 -18.955 25.227 28.030 1.00 37.30 H new ATOM 0 HG2 ARG B 93 -19.159 23.895 29.972 1.00 34.44 H new ATOM 0 HG3 ARG B 93 -17.947 24.647 30.601 1.00 34.44 H new ATOM 0 HD2 ARG B 93 -19.189 26.681 30.398 1.00 37.03 H new ATOM 0 HD3 ARG B 93 -20.417 25.834 29.942 1.00 37.03 H new ATOM 0 HE ARG B 93 -19.673 24.951 32.302 1.00 40.67 H new ATOM 0 HH11 ARG B 93 -21.315 27.617 31.137 1.00 43.85 H new ATOM 0 HH12 ARG B 93 -21.981 27.952 32.426 1.00 43.85 H new ATOM 0 HH21 ARG B 93 -20.720 25.464 34.196 1.00 42.65 H new ATOM 0 HH22 ARG B 93 -21.621 26.648 34.275 1.00 42.65 H new ATOM 2306 N ARG B 94 -15.987 25.065 26.203 1.00 38.14 N ATOM 2307 CA ARG B 94 -15.568 25.311 24.825 1.00 38.31 C ATOM 2308 C ARG B 94 -14.918 24.061 24.260 1.00 39.69 C ATOM 2309 O ARG B 94 -15.251 23.630 23.149 1.00 36.30 O ATOM 2310 CB ARG B 94 -14.623 26.521 24.764 1.00 39.30 C ATOM 2311 CG ARG B 94 -15.362 27.840 25.114 1.00 41.38 C ATOM 2312 CD ARG B 94 -14.480 29.085 24.904 1.00 41.80 C ATOM 2313 NE ARG B 94 -13.359 29.076 25.852 1.00 39.94 N ATOM 2314 CZ ARG B 94 -12.180 29.689 25.725 1.00 47.16 C ATOM 2315 NH1 ARG B 94 -11.843 30.370 24.651 1.00 43.71 N ATOM 2316 NH2 ARG B 94 -11.303 29.548 26.687 1.00 47.64 N ATOM 0 H ARG B 94 -15.508 25.470 26.791 1.00 38.14 H new ATOM 0 HA ARG B 94 -16.343 25.520 24.281 1.00 38.31 H new ATOM 0 HB2 ARG B 94 -13.886 26.389 25.381 1.00 39.30 H new ATOM 0 HB3 ARG B 94 -14.240 26.589 23.875 1.00 39.30 H new ATOM 0 HG2 ARG B 94 -16.159 27.916 24.566 1.00 41.38 H new ATOM 0 HG3 ARG B 94 -15.655 27.807 26.038 1.00 41.38 H new ATOM 0 HD2 ARG B 94 -14.143 29.102 23.994 1.00 41.80 H new ATOM 0 HD3 ARG B 94 -15.009 29.889 25.026 1.00 41.80 H new ATOM 0 HE ARG B 94 -13.476 28.623 26.574 1.00 39.94 H new ATOM 0 HH11 ARG B 94 -12.392 30.434 23.993 1.00 43.71 H new ATOM 0 HH12 ARG B 94 -11.073 30.751 24.607 1.00 43.71 H new ATOM 0 HH21 ARG B 94 -11.494 29.071 27.376 1.00 47.64 H new ATOM 0 HH22 ARG B 94 -10.536 29.933 26.629 1.00 47.64 H new ATOM 2317 N PHE B 95 -13.993 23.467 25.029 1.00 37.77 N ATOM 2318 CA PHE B 95 -13.359 22.184 24.641 1.00 38.48 C ATOM 2319 C PHE B 95 -14.390 21.121 24.246 1.00 39.81 C ATOM 2320 O PHE B 95 -14.262 20.474 23.203 1.00 40.61 O ATOM 2321 CB PHE B 95 -12.458 21.672 25.781 1.00 40.40 C ATOM 2322 CG PHE B 95 -12.084 20.208 25.666 1.00 37.45 C ATOM 2323 CD1 PHE B 95 -11.362 19.749 24.568 1.00 39.99 C ATOM 2324 CD2 PHE B 95 -12.432 19.301 26.678 1.00 41.27 C ATOM 2325 CE1 PHE B 95 -11.023 18.394 24.450 1.00 40.42 C ATOM 2326 CE2 PHE B 95 -12.094 17.956 26.580 1.00 39.72 C ATOM 2327 CZ PHE B 95 -11.373 17.503 25.455 1.00 38.35 C ATOM 0 H PHE B 95 -13.716 23.786 25.778 1.00 37.77 H new ATOM 0 HA PHE B 95 -12.815 22.354 23.856 1.00 38.48 H new ATOM 0 HB2 PHE B 95 -11.646 22.202 25.801 1.00 40.40 H new ATOM 0 HB3 PHE B 95 -12.911 21.814 26.627 1.00 40.40 H new ATOM 0 HD1 PHE B 95 -11.102 20.348 23.906 1.00 39.99 H new ATOM 0 HD2 PHE B 95 -12.895 19.604 27.425 1.00 41.27 H new ATOM 0 HE1 PHE B 95 -10.564 18.092 23.699 1.00 40.42 H new ATOM 0 HE2 PHE B 95 -12.341 17.360 27.250 1.00 39.72 H new ATOM 0 HZ PHE B 95 -11.132 16.607 25.387 1.00 38.35 H new ATOM 2328 N VAL B 96 -15.403 20.947 25.084 1.00 41.24 N ATOM 2329 CA VAL B 96 -16.450 19.941 24.847 1.00 42.00 C ATOM 2330 C VAL B 96 -17.163 20.121 23.484 1.00 41.11 C ATOM 2331 O VAL B 96 -17.412 19.132 22.795 1.00 39.43 O ATOM 2332 CB VAL B 96 -17.423 19.871 26.060 1.00 43.59 C ATOM 2333 CG1 VAL B 96 -18.745 19.181 25.715 1.00 48.42 C ATOM 2334 CG2 VAL B 96 -16.714 19.173 27.250 1.00 40.60 C ATOM 0 H VAL B 96 -15.509 21.403 25.805 1.00 41.24 H new ATOM 0 HA VAL B 96 -16.021 19.074 24.778 1.00 42.00 H new ATOM 0 HB VAL B 96 -17.655 20.779 26.312 1.00 43.59 H new ATOM 0 HG11 VAL B 96 -19.315 19.162 26.500 1.00 48.42 H new ATOM 0 HG12 VAL B 96 -19.190 19.670 25.005 1.00 48.42 H new ATOM 0 HG13 VAL B 96 -18.570 18.273 25.422 1.00 48.42 H new ATOM 0 HG21 VAL B 96 -17.319 19.129 28.007 1.00 40.60 H new ATOM 0 HG22 VAL B 96 -16.455 18.275 26.991 1.00 40.60 H new ATOM 0 HG23 VAL B 96 -15.924 19.678 27.498 1.00 40.60 H new ATOM 2335 N VAL B 97 -17.434 21.362 23.091 1.00 40.49 N ATOM 2336 CA VAL B 97 -18.135 21.670 21.816 1.00 39.90 C ATOM 2337 C VAL B 97 -17.214 21.340 20.638 1.00 41.23 C ATOM 2338 O VAL B 97 -17.645 20.754 19.648 1.00 41.71 O ATOM 2339 CB VAL B 97 -18.591 23.159 21.731 1.00 40.02 C ATOM 2340 CG1 VAL B 97 -19.175 23.522 20.339 1.00 41.19 C ATOM 2341 CG2 VAL B 97 -19.608 23.466 22.825 1.00 41.22 C ATOM 0 H VAL B 97 -17.222 22.059 23.548 1.00 40.49 H new ATOM 0 HA VAL B 97 -18.936 21.124 21.782 1.00 39.90 H new ATOM 0 HB VAL B 97 -17.801 23.706 21.862 1.00 40.02 H new ATOM 0 HG11 VAL B 97 -19.444 24.454 20.334 1.00 41.19 H new ATOM 0 HG12 VAL B 97 -18.501 23.377 19.657 1.00 41.19 H new ATOM 0 HG13 VAL B 97 -19.946 22.963 20.155 1.00 41.19 H new ATOM 0 HG21 VAL B 97 -19.883 24.394 22.761 1.00 41.22 H new ATOM 0 HG22 VAL B 97 -20.382 22.892 22.718 1.00 41.22 H new ATOM 0 HG23 VAL B 97 -19.207 23.308 23.694 1.00 41.22 H new HETATM 2342 N MSE B 98 -15.950 21.687 20.783 1.00 38.28 N HETATM 2343 CA MSE B 98 -14.922 21.420 19.750 1.00 39.90 C HETATM 2344 C MSE B 98 -14.668 19.921 19.560 1.00 40.39 C HETATM 2345 O MSE B 98 -14.631 19.431 18.417 1.00 41.22 O HETATM 2346 CB MSE B 98 -13.630 22.140 20.083 1.00 39.24 C HETATM 2347 CG MSE B 98 -13.685 23.664 20.087 1.00 34.76 C HETATM 2348 SE MSE B 98 -14.105 24.407 18.343 0.75 38.65 SE HETATM 2349 CE MSE B 98 -15.990 24.929 18.554 1.00 39.43 C HETATM 0 H MSE B 98 -15.646 22.087 21.481 1.00 38.28 H new HETATM 0 HA MSE B 98 -15.265 21.762 18.910 1.00 39.90 H new HETATM 0 HB2 MSE B 98 -13.334 21.844 20.958 1.00 39.24 H new HETATM 0 HB3 MSE B 98 -12.954 21.862 19.446 1.00 39.24 H new HETATM 0 HG2 MSE B 98 -14.351 23.958 20.728 1.00 34.76 H new HETATM 0 HG3 MSE B 98 -12.831 24.013 20.386 1.00 34.76 H new HETATM 0 HE1 MSE B 98 -16.312 25.320 17.727 1.00 39.43 H new HETATM 0 HE2 MSE B 98 -16.521 24.146 18.769 1.00 39.43 H new HETATM 0 HE3 MSE B 98 -16.068 25.578 19.270 1.00 39.43 H new ATOM 2350 N ARG B 99 -14.536 19.203 20.673 1.00 39.84 N ATOM 2351 CA ARG B 99 -14.418 17.739 20.634 1.00 40.15 C ATOM 2352 C ARG B 99 -15.637 17.088 19.956 1.00 41.71 C ATOM 2353 O ARG B 99 -15.487 16.125 19.219 1.00 43.45 O ATOM 2354 CB ARG B 99 -14.283 17.173 22.037 1.00 39.76 C ATOM 2355 CG ARG B 99 -14.029 15.647 22.041 1.00 40.48 C ATOM 2356 CD ARG B 99 -13.718 15.178 23.393 1.00 43.31 C ATOM 2357 NE ARG B 99 -14.850 15.385 24.287 1.00 42.99 N ATOM 2358 CZ ARG B 99 -14.807 15.217 25.608 1.00 47.71 C ATOM 2359 NH1 ARG B 99 -13.700 14.803 26.225 1.00 48.76 N ATOM 2360 NH2 ARG B 99 -15.891 15.455 26.320 1.00 43.43 N ATOM 0 H ARG B 99 -14.512 19.541 21.463 1.00 39.84 H new ATOM 0 HA ARG B 99 -13.623 17.535 20.117 1.00 40.15 H new ATOM 0 HB2 ARG B 99 -13.553 17.620 22.494 1.00 39.76 H new ATOM 0 HB3 ARG B 99 -15.091 17.364 22.538 1.00 39.76 H new ATOM 0 HG2 ARG B 99 -14.812 15.183 21.705 1.00 40.48 H new ATOM 0 HG3 ARG B 99 -13.295 15.435 21.443 1.00 40.48 H new ATOM 0 HD2 ARG B 99 -13.489 14.236 23.368 1.00 43.31 H new ATOM 0 HD3 ARG B 99 -12.942 15.650 23.733 1.00 43.31 H new ATOM 0 HE ARG B 99 -15.596 15.632 23.938 1.00 42.99 H new ATOM 0 HH11 ARG B 99 -12.990 14.637 25.769 1.00 48.76 H new ATOM 0 HH12 ARG B 99 -13.696 14.702 27.079 1.00 48.76 H new ATOM 0 HH21 ARG B 99 -16.613 15.715 25.931 1.00 43.43 H new ATOM 0 HH22 ARG B 99 -15.876 15.350 27.173 1.00 43.43 H new ATOM 2361 N ARG B 100 -16.826 17.608 20.240 1.00 40.68 N ATOM 2362 CA ARG B 100 -18.062 17.103 19.645 1.00 45.90 C ATOM 2363 C ARG B 100 -18.012 17.201 18.115 1.00 43.58 C ATOM 2364 O ARG B 100 -18.408 16.243 17.446 1.00 44.98 O ATOM 2365 CB ARG B 100 -19.293 17.802 20.220 1.00 45.33 C ATOM 2366 CG ARG B 100 -20.606 17.158 19.776 1.00 52.97 C ATOM 2367 CD ARG B 100 -21.843 17.667 20.534 1.00 55.40 C ATOM 2368 NE ARG B 100 -21.852 17.328 21.966 1.00 61.18 N ATOM 2369 CZ ARG B 100 -21.554 18.134 22.996 1.00 64.45 C ATOM 2370 NH1 ARG B 100 -21.224 19.424 22.834 1.00 63.18 N ATOM 2371 NH2 ARG B 100 -21.617 17.636 24.240 1.00 60.86 N ATOM 0 H ARG B 100 -16.941 18.264 20.784 1.00 40.68 H new ATOM 0 HA ARG B 100 -18.140 16.164 19.877 1.00 45.90 H new ATOM 0 HB2 ARG B 100 -19.243 17.789 21.189 1.00 45.33 H new ATOM 0 HB3 ARG B 100 -19.287 18.733 19.948 1.00 45.33 H new ATOM 0 HG2 ARG B 100 -20.730 17.320 18.828 1.00 52.97 H new ATOM 0 HG3 ARG B 100 -20.540 16.197 19.893 1.00 52.97 H new ATOM 0 HD2 ARG B 100 -21.894 18.631 20.439 1.00 55.40 H new ATOM 0 HD3 ARG B 100 -22.639 17.299 20.119 1.00 55.40 H new ATOM 0 HE ARG B 100 -22.074 16.521 22.165 1.00 61.18 H new ATOM 0 HH11 ARG B 100 -21.197 19.765 22.045 1.00 63.18 H new ATOM 0 HH12 ARG B 100 -21.039 19.910 23.519 1.00 63.18 H new ATOM 0 HH21 ARG B 100 -21.845 16.816 24.364 1.00 60.86 H new ATOM 0 HH22 ARG B 100 -21.430 18.137 24.914 1.00 60.86 H new ATOM 2372 N LYS B 101 -17.510 18.323 17.578 1.00 43.78 N ATOM 2373 CA LYS B 101 -17.339 18.496 16.124 1.00 43.73 C ATOM 2374 C LYS B 101 -16.423 17.417 15.584 1.00 43.90 C ATOM 2375 O LYS B 101 -16.765 16.752 14.617 1.00 41.53 O ATOM 2376 CB LYS B 101 -16.718 19.842 15.737 1.00 46.03 C ATOM 2377 CG LYS B 101 -17.587 21.057 15.886 1.00 50.35 C ATOM 2378 CD LYS B 101 -16.796 22.323 15.455 1.00 46.74 C ATOM 2379 CE LYS B 101 -17.649 23.590 15.579 1.00 55.27 C ATOM 2380 NZ LYS B 101 -18.655 23.613 14.482 1.00 64.03 N ATOM 0 H LYS B 101 -17.260 19.002 18.043 1.00 43.78 H new ATOM 0 HA LYS B 101 -18.232 18.447 15.747 1.00 43.73 H new ATOM 0 HB2 LYS B 101 -15.921 19.973 16.274 1.00 46.03 H new ATOM 0 HB3 LYS B 101 -16.431 19.788 14.812 1.00 46.03 H new ATOM 0 HG2 LYS B 101 -18.385 20.963 15.343 1.00 50.35 H new ATOM 0 HG3 LYS B 101 -17.879 21.145 16.807 1.00 50.35 H new ATOM 0 HD2 LYS B 101 -16.002 22.412 16.004 1.00 46.74 H new ATOM 0 HD3 LYS B 101 -16.497 22.222 14.538 1.00 46.74 H new ATOM 0 HE2 LYS B 101 -18.094 23.610 16.441 1.00 55.27 H new ATOM 0 HE3 LYS B 101 -17.085 24.378 15.532 1.00 55.27 H new ATOM 0 HZ1 LYS B 101 -19.114 24.375 14.516 1.00 64.03 H new ATOM 0 HZ2 LYS B 101 -18.240 23.552 13.697 1.00 64.03 H new ATOM 0 HZ3 LYS B 101 -19.213 22.926 14.576 1.00 64.03 H new ATOM 2381 N TRP B 102 -15.256 17.276 16.225 1.00 43.07 N ATOM 2382 CA TRP B 102 -14.236 16.285 15.840 1.00 42.32 C ATOM 2383 C TRP B 102 -14.761 14.844 15.883 1.00 42.09 C ATOM 2384 O TRP B 102 -14.413 14.030 15.029 1.00 41.80 O ATOM 2385 CB TRP B 102 -13.003 16.455 16.736 1.00 43.03 C ATOM 2386 CG TRP B 102 -11.889 15.519 16.471 1.00 42.55 C ATOM 2387 CD1 TRP B 102 -10.848 15.690 15.594 1.00 45.46 C ATOM 2388 CD2 TRP B 102 -11.685 14.253 17.091 1.00 42.00 C ATOM 2389 NE1 TRP B 102 -10.009 14.607 15.643 1.00 46.66 N ATOM 2390 CE2 TRP B 102 -10.495 13.710 16.555 1.00 42.91 C ATOM 2391 CE3 TRP B 102 -12.382 13.531 18.072 1.00 46.94 C ATOM 2392 CZ2 TRP B 102 -9.981 12.470 16.968 1.00 46.89 C ATOM 2393 CZ3 TRP B 102 -11.878 12.292 18.476 1.00 48.01 C ATOM 2394 CH2 TRP B 102 -10.688 11.776 17.917 1.00 46.40 C ATOM 0 H TRP B 102 -15.031 17.757 16.902 1.00 43.07 H new ATOM 0 HA TRP B 102 -13.992 16.450 14.916 1.00 42.32 H new ATOM 0 HB2 TRP B 102 -12.673 17.362 16.637 1.00 43.03 H new ATOM 0 HB3 TRP B 102 -13.278 16.352 17.661 1.00 43.03 H new ATOM 0 HD1 TRP B 102 -10.729 16.432 15.046 1.00 45.46 H new ATOM 0 HE1 TRP B 102 -9.293 14.507 15.176 1.00 46.66 H new ATOM 0 HE3 TRP B 102 -13.163 13.870 18.446 1.00 46.94 H new ATOM 0 HZ2 TRP B 102 -9.191 12.132 16.612 1.00 46.89 H new ATOM 0 HZ3 TRP B 102 -12.332 11.800 19.122 1.00 48.01 H new ATOM 0 HH2 TRP B 102 -10.376 10.946 18.199 1.00 46.40 H new ATOM 2395 N GLU B 103 -15.564 14.543 16.903 1.00 43.28 N ATOM 2396 CA GLU B 103 -16.221 13.231 17.049 1.00 44.12 C ATOM 2397 C GLU B 103 -17.199 12.933 15.905 1.00 45.14 C ATOM 2398 O GLU B 103 -17.281 11.795 15.451 1.00 44.35 O ATOM 2399 CB GLU B 103 -16.922 13.114 18.401 1.00 44.32 C ATOM 2400 CG GLU B 103 -15.962 12.855 19.558 1.00 46.44 C ATOM 2401 CD GLU B 103 -16.621 12.894 20.950 1.00 46.92 C ATOM 2402 OE1 GLU B 103 -17.811 13.288 21.067 1.00 57.91 O ATOM 2403 OE2 GLU B 103 -15.920 12.548 21.934 1.00 58.31 O ATOM 0 H GLU B 103 -15.747 15.095 17.537 1.00 43.28 H new ATOM 0 HA GLU B 103 -15.519 12.563 17.005 1.00 44.12 H new ATOM 0 HB2 GLU B 103 -17.415 13.931 18.575 1.00 44.32 H new ATOM 0 HB3 GLU B 103 -17.571 12.395 18.360 1.00 44.32 H new ATOM 0 HG2 GLU B 103 -15.547 11.987 19.432 1.00 46.44 H new ATOM 0 HG3 GLU B 103 -15.252 13.515 19.529 1.00 46.44 H new ATOM 2404 N ALA B 104 -17.939 13.949 15.464 1.00 45.03 N ATOM 2405 CA ALA B 104 -18.816 13.840 14.289 1.00 45.19 C ATOM 2406 C ALA B 104 -17.949 13.551 13.058 1.00 44.79 C ATOM 2407 O ALA B 104 -18.199 12.596 12.334 1.00 46.37 O ATOM 2408 CB ALA B 104 -19.612 15.107 14.093 1.00 43.79 C ATOM 0 H ALA B 104 -17.949 14.724 15.836 1.00 45.03 H new ATOM 0 HA ALA B 104 -19.449 13.117 14.422 1.00 45.19 H new ATOM 0 HB1 ALA B 104 -20.183 15.014 13.314 1.00 43.79 H new ATOM 0 HB2 ALA B 104 -20.160 15.270 14.877 1.00 43.79 H new ATOM 0 HB3 ALA B 104 -19.006 15.853 13.962 1.00 43.79 H new ATOM 2409 N ASP B 105 -16.908 14.344 12.854 1.00 44.95 N ATOM 2410 CA ASP B 105 -15.963 14.125 11.752 1.00 45.34 C ATOM 2411 C ASP B 105 -14.761 15.025 11.986 1.00 43.80 C ATOM 2412 O ASP B 105 -14.952 16.241 12.085 1.00 43.88 O ATOM 2413 CB ASP B 105 -16.602 14.472 10.401 1.00 48.45 C ATOM 2414 CG ASP B 105 -15.759 14.050 9.192 1.00 56.75 C ATOM 2415 OD1 ASP B 105 -14.533 13.781 9.291 1.00 48.57 O ATOM 2416 OD2 ASP B 105 -16.357 14.015 8.095 1.00 66.04 O ATOM 0 H ASP B 105 -16.724 15.025 13.346 1.00 44.95 H new ATOM 0 HA ASP B 105 -15.703 13.191 11.729 1.00 45.34 H new ATOM 0 HB2 ASP B 105 -17.471 14.044 10.344 1.00 48.45 H new ATOM 0 HB3 ASP B 105 -16.754 15.429 10.361 1.00 48.45 H new ATOM 2417 N PRO B 106 -13.534 14.453 12.063 1.00 44.17 N ATOM 2418 CA PRO B 106 -12.340 15.305 12.199 1.00 44.59 C ATOM 2419 C PRO B 106 -12.255 16.424 11.138 1.00 43.35 C ATOM 2420 O PRO B 106 -11.755 17.505 11.454 1.00 41.36 O ATOM 2421 CB PRO B 106 -11.182 14.308 12.072 1.00 46.37 C ATOM 2422 CG PRO B 106 -11.726 13.072 12.649 1.00 46.39 C ATOM 2423 CD PRO B 106 -13.150 13.022 12.100 1.00 44.76 C ATOM 0 HA PRO B 106 -12.340 15.795 13.036 1.00 44.59 H new ATOM 0 HB2 PRO B 106 -10.918 14.184 11.147 1.00 46.37 H new ATOM 0 HB3 PRO B 106 -10.396 14.611 12.553 1.00 46.37 H new ATOM 0 HG2 PRO B 106 -11.211 12.295 12.380 1.00 46.39 H new ATOM 0 HG3 PRO B 106 -11.717 13.096 13.619 1.00 46.39 H new ATOM 0 HD2 PRO B 106 -13.183 12.617 11.219 1.00 44.76 H new ATOM 0 HD3 PRO B 106 -13.739 12.505 12.672 1.00 44.76 H new ATOM 2424 N VAL B 107 -12.777 16.178 9.923 1.00 42.30 N ATOM 2425 CA AVAL B 107 -12.812 17.185 8.854 0.50 40.74 C ATOM 2426 CA BVAL B 107 -12.784 17.210 8.870 0.50 41.85 C ATOM 2427 C VAL B 107 -13.674 18.405 9.266 1.00 41.05 C ATOM 2428 O VAL B 107 -13.380 19.530 8.877 1.00 40.99 O ATOM 2429 CB AVAL B 107 -13.266 16.549 7.511 0.50 42.35 C ATOM 2430 CB BVAL B 107 -13.162 16.677 7.462 0.50 43.60 C ATOM 2431 CG1AVAL B 107 -13.441 17.598 6.411 0.50 40.08 C ATOM 2432 CG1BVAL B 107 -14.650 16.474 7.322 0.50 42.80 C ATOM 2433 CG2AVAL B 107 -12.252 15.479 7.082 0.50 37.34 C ATOM 2434 CG2BVAL B 107 -12.704 17.661 6.401 0.50 45.20 C ATOM 0 H AVAL B 107 -13.120 15.421 9.700 0.50 42.30 H new ATOM 0 H BVAL B 107 -13.128 15.428 9.691 0.50 42.30 H new ATOM 0 HA AVAL B 107 -11.913 17.520 8.713 0.50 41.85 H new ATOM 0 HA BVAL B 107 -11.865 17.512 8.798 0.50 41.85 H new ATOM 0 HB AVAL B 107 -14.133 16.137 7.650 0.50 43.60 H new ATOM 0 HB BVAL B 107 -12.721 15.821 7.347 0.50 43.60 H new ATOM 0 HG11AVAL B 107 -13.724 17.163 5.591 0.50 42.80 H new ATOM 0 HG11BVAL B 107 -14.849 16.142 6.433 0.50 42.80 H new ATOM 0 HG12AVAL B 107 -14.112 18.243 6.683 0.50 42.80 H new ATOM 0 HG12BVAL B 107 -14.953 15.831 7.982 0.50 42.80 H new ATOM 0 HG13AVAL B 107 -12.598 18.053 6.261 0.50 42.80 H new ATOM 0 HG13BVAL B 107 -15.106 17.319 7.461 0.50 42.80 H new ATOM 0 HG21AVAL B 107 -12.535 15.082 6.244 0.50 45.20 H new ATOM 0 HG21BVAL B 107 -12.942 17.324 5.523 0.50 45.20 H new ATOM 0 HG22AVAL B 107 -11.380 15.887 6.967 0.50 45.20 H new ATOM 0 HG22BVAL B 107 -13.135 18.518 6.546 0.50 45.20 H new ATOM 0 HG23AVAL B 107 -12.199 14.791 7.764 0.50 45.20 H new ATOM 0 HG23BVAL B 107 -11.742 17.771 6.455 0.50 45.20 H new ATOM 2435 N LYS B 108 -14.736 18.165 10.052 1.00 40.54 N ATOM 2436 CA LYS B 108 -15.627 19.259 10.543 1.00 42.53 C ATOM 2437 C LYS B 108 -14.849 20.260 11.401 1.00 43.24 C ATOM 2438 O LYS B 108 -14.957 21.475 11.229 1.00 41.59 O ATOM 2439 CB LYS B 108 -16.822 18.703 11.333 1.00 45.28 C ATOM 0 H LYS B 108 -14.965 17.379 10.317 1.00 40.54 H new ATOM 0 HA LYS B 108 -15.970 19.720 9.761 1.00 42.53 H new ATOM 2440 N LEU B 109 -14.026 19.738 12.303 1.00 43.48 N ATOM 2441 CA LEU B 109 -13.182 20.590 13.125 1.00 42.63 C ATOM 2442 C LEU B 109 -12.158 21.315 12.267 1.00 40.36 C ATOM 2443 O LEU B 109 -11.959 22.512 12.451 1.00 38.44 O ATOM 2444 CB LEU B 109 -12.481 19.796 14.236 1.00 42.51 C ATOM 2445 CG LEU B 109 -11.594 20.586 15.208 1.00 43.95 C ATOM 2446 CD1 LEU B 109 -12.364 21.719 15.874 1.00 41.85 C ATOM 2447 CD2 LEU B 109 -10.988 19.667 16.263 1.00 42.79 C ATOM 0 H LEU B 109 -13.942 18.895 12.453 1.00 43.48 H new ATOM 0 HA LEU B 109 -13.757 21.245 13.550 1.00 42.63 H new ATOM 0 HB2 LEU B 109 -13.162 19.338 14.754 1.00 42.51 H new ATOM 0 HB3 LEU B 109 -11.935 19.112 13.818 1.00 42.51 H new ATOM 0 HG LEU B 109 -10.875 20.978 14.688 1.00 43.95 H new ATOM 0 HD11 LEU B 109 -11.777 22.197 16.480 1.00 41.85 H new ATOM 0 HD12 LEU B 109 -12.694 22.329 15.196 1.00 41.85 H new ATOM 0 HD13 LEU B 109 -13.113 21.353 16.371 1.00 41.85 H new ATOM 0 HD21 LEU B 109 -10.433 20.187 16.865 1.00 42.79 H new ATOM 0 HD22 LEU B 109 -11.698 19.240 16.767 1.00 42.79 H new ATOM 0 HD23 LEU B 109 -10.447 18.989 15.829 1.00 42.79 H new ATOM 2448 N GLN B 110 -11.509 20.608 11.340 1.00 39.95 N ATOM 2449 CA GLN B 110 -10.483 21.259 10.501 1.00 38.80 C ATOM 2450 C GLN B 110 -11.090 22.387 9.644 1.00 37.78 C ATOM 2451 O GLN B 110 -10.482 23.441 9.484 1.00 38.58 O ATOM 2452 CB GLN B 110 -9.716 20.250 9.642 1.00 38.97 C ATOM 2453 CG GLN B 110 -8.504 20.820 8.897 1.00 42.22 C ATOM 2454 CD GLN B 110 -7.442 21.433 9.816 1.00 44.29 C ATOM 2455 OE1 GLN B 110 -7.332 21.075 10.998 1.00 45.17 O ATOM 2456 NE2 GLN B 110 -6.662 22.357 9.272 1.00 41.11 N ATOM 0 H GLN B 110 -11.638 19.773 11.179 1.00 39.95 H new ATOM 0 HA GLN B 110 -9.838 21.663 11.103 1.00 38.80 H new ATOM 0 HB2 GLN B 110 -9.416 19.524 10.211 1.00 38.97 H new ATOM 0 HB3 GLN B 110 -10.327 19.868 8.993 1.00 38.97 H new ATOM 0 HG2 GLN B 110 -8.096 20.113 8.373 1.00 42.22 H new ATOM 0 HG3 GLN B 110 -8.808 21.497 8.273 1.00 42.22 H new ATOM 0 HE21 GLN B 110 -6.769 22.579 8.448 1.00 41.11 H new ATOM 0 HE22 GLN B 110 -6.049 22.734 9.743 1.00 41.11 H new ATOM 2457 N THR B 111 -12.284 22.141 9.116 1.00 40.10 N ATOM 2458 CA THR B 111 -13.011 23.141 8.321 1.00 41.53 C ATOM 2459 C THR B 111 -13.323 24.372 9.177 1.00 40.45 C ATOM 2460 O THR B 111 -13.120 25.496 8.732 1.00 41.70 O ATOM 2461 CB THR B 111 -14.310 22.533 7.737 1.00 39.70 C ATOM 2462 OG1 THR B 111 -13.946 21.526 6.771 1.00 42.53 O ATOM 2463 CG2 THR B 111 -15.173 23.585 7.051 1.00 43.36 C ATOM 0 H THR B 111 -12.699 21.393 9.205 1.00 40.10 H new ATOM 0 HA THR B 111 -12.449 23.417 7.580 1.00 41.53 H new ATOM 0 HB THR B 111 -14.826 22.155 8.467 1.00 39.70 H new ATOM 0 HG1 THR B 111 -13.731 20.819 7.170 1.00 42.53 H new ATOM 0 HG21 THR B 111 -15.975 23.167 6.699 1.00 43.36 H new ATOM 0 HG22 THR B 111 -15.420 24.269 7.692 1.00 43.36 H new ATOM 0 HG23 THR B 111 -14.674 23.989 6.324 1.00 43.36 H new ATOM 2464 N TYR B 112 -13.798 24.141 10.399 1.00 41.11 N ATOM 2465 CA TYR B 112 -14.089 25.232 11.341 1.00 40.19 C ATOM 2466 C TYR B 112 -12.840 26.067 11.579 1.00 41.41 C ATOM 2467 O TYR B 112 -12.911 27.298 11.569 1.00 40.22 O ATOM 2468 CB TYR B 112 -14.612 24.673 12.675 1.00 42.98 C ATOM 2469 CG TYR B 112 -14.809 25.695 13.781 1.00 36.63 C ATOM 2470 CD1 TYR B 112 -15.965 26.468 13.852 1.00 42.87 C ATOM 2471 CD2 TYR B 112 -13.842 25.861 14.773 1.00 43.71 C ATOM 2472 CE1 TYR B 112 -16.138 27.422 14.888 1.00 40.08 C ATOM 2473 CE2 TYR B 112 -14.009 26.791 15.795 1.00 42.38 C ATOM 2474 CZ TYR B 112 -15.158 27.563 15.856 1.00 42.99 C ATOM 2475 OH TYR B 112 -15.317 28.467 16.877 1.00 42.67 O ATOM 0 H TYR B 112 -13.961 23.355 10.708 1.00 41.11 H new ATOM 0 HA TYR B 112 -14.777 25.796 10.953 1.00 40.19 H new ATOM 0 HB2 TYR B 112 -15.459 24.229 12.512 1.00 42.98 H new ATOM 0 HB3 TYR B 112 -13.993 23.996 12.989 1.00 42.98 H new ATOM 0 HD1 TYR B 112 -16.632 26.358 13.213 1.00 42.87 H new ATOM 0 HD2 TYR B 112 -13.072 25.341 14.751 1.00 43.71 H new ATOM 0 HE1 TYR B 112 -16.904 27.949 14.917 1.00 40.08 H new ATOM 0 HE2 TYR B 112 -13.347 26.895 16.440 1.00 42.38 H new ATOM 0 HH TYR B 112 -14.981 29.204 16.654 1.00 42.67 H new ATOM 2476 N ILE B 113 -11.700 25.400 11.779 1.00 40.01 N ATOM 2477 CA ILE B 113 -10.422 26.111 11.982 1.00 40.77 C ATOM 2478 C ILE B 113 -10.005 26.960 10.762 1.00 39.78 C ATOM 2479 O ILE B 113 -9.647 28.140 10.896 1.00 38.46 O ATOM 2480 CB ILE B 113 -9.241 25.124 12.324 1.00 39.29 C ATOM 2481 CG1 ILE B 113 -9.435 24.457 13.694 1.00 39.85 C ATOM 2482 CG2 ILE B 113 -7.874 25.845 12.289 1.00 41.25 C ATOM 2483 CD1 ILE B 113 -8.419 23.324 14.004 1.00 42.07 C ATOM 0 H ILE B 113 -11.640 24.542 11.801 1.00 40.01 H new ATOM 0 HA ILE B 113 -10.585 26.701 12.734 1.00 40.77 H new ATOM 0 HB ILE B 113 -9.250 24.435 11.641 1.00 39.29 H new ATOM 0 HG12 ILE B 113 -9.368 25.135 14.384 1.00 39.85 H new ATOM 0 HG13 ILE B 113 -10.333 24.093 13.740 1.00 39.85 H new ATOM 0 HG21 ILE B 113 -7.169 25.214 12.503 1.00 41.25 H new ATOM 0 HG22 ILE B 113 -7.723 26.210 11.403 1.00 41.25 H new ATOM 0 HG23 ILE B 113 -7.871 26.565 12.939 1.00 41.25 H new ATOM 0 HD11 ILE B 113 -8.605 22.954 14.881 1.00 42.07 H new ATOM 0 HD12 ILE B 113 -8.499 22.626 13.335 1.00 42.07 H new ATOM 0 HD13 ILE B 113 -7.518 23.684 13.989 1.00 42.07 H new ATOM 2484 N GLU B 114 -10.026 26.343 9.587 1.00 38.83 N ATOM 2485 CA GLU B 114 -9.593 27.003 8.358 1.00 38.86 C ATOM 2486 C GLU B 114 -10.481 28.173 7.945 1.00 40.64 C ATOM 2487 O GLU B 114 -9.961 29.218 7.562 1.00 41.41 O ATOM 2488 CB GLU B 114 -9.451 25.985 7.237 1.00 40.51 C ATOM 2489 CG GLU B 114 -8.303 24.996 7.504 1.00 41.56 C ATOM 2490 CD GLU B 114 -8.078 24.019 6.382 1.00 47.34 C ATOM 2491 OE1 GLU B 114 -8.742 24.128 5.308 1.00 41.65 O ATOM 2492 OE2 GLU B 114 -7.213 23.129 6.567 1.00 41.20 O ATOM 0 H GLU B 114 -10.291 25.532 9.478 1.00 38.83 H new ATOM 0 HA GLU B 114 -8.725 27.395 8.542 1.00 38.86 H new ATOM 0 HB2 GLU B 114 -10.283 25.496 7.137 1.00 40.51 H new ATOM 0 HB3 GLU B 114 -9.291 26.447 6.399 1.00 40.51 H new ATOM 0 HG2 GLU B 114 -7.485 25.495 7.658 1.00 41.56 H new ATOM 0 HG3 GLU B 114 -8.492 24.504 8.318 1.00 41.56 H new ATOM 2493 N VAL B 115 -11.800 28.000 8.042 1.00 41.62 N ATOM 2494 CA VAL B 115 -12.765 29.082 7.711 1.00 43.53 C ATOM 2495 C VAL B 115 -12.557 30.246 8.678 1.00 44.44 C ATOM 2496 O VAL B 115 -12.388 31.395 8.254 1.00 46.04 O ATOM 2497 CB VAL B 115 -14.244 28.583 7.729 1.00 43.58 C ATOM 2498 CG1 VAL B 115 -15.253 29.755 7.546 1.00 47.13 C ATOM 2499 CG2 VAL B 115 -14.467 27.552 6.667 1.00 43.39 C ATOM 0 H VAL B 115 -12.168 27.266 8.297 1.00 41.62 H new ATOM 0 HA VAL B 115 -12.595 29.380 6.804 1.00 43.53 H new ATOM 0 HB VAL B 115 -14.400 28.185 8.600 1.00 43.58 H new ATOM 0 HG11 VAL B 115 -16.159 29.408 7.562 1.00 47.13 H new ATOM 0 HG12 VAL B 115 -15.139 30.395 8.266 1.00 47.13 H new ATOM 0 HG13 VAL B 115 -15.090 30.193 6.696 1.00 47.13 H new ATOM 0 HG21 VAL B 115 -15.390 27.254 6.693 1.00 43.39 H new ATOM 0 HG22 VAL B 115 -14.277 27.937 5.797 1.00 43.39 H new ATOM 0 HG23 VAL B 115 -13.879 26.796 6.821 1.00 43.39 H new ATOM 2500 N GLY B 116 -12.505 29.934 9.975 1.00 43.58 N ATOM 2501 CA GLY B 116 -12.233 30.930 11.007 1.00 43.67 C ATOM 2502 C GLY B 116 -10.915 31.656 10.855 1.00 44.71 C ATOM 2503 O GLY B 116 -10.876 32.870 11.058 1.00 44.65 O ATOM 0 H GLY B 116 -12.627 29.139 10.278 1.00 43.58 H new ATOM 0 HA2 GLY B 116 -12.950 31.583 11.005 1.00 43.67 H new ATOM 0 HA3 GLY B 116 -12.249 30.493 11.873 1.00 43.67 H new ATOM 2504 N ASN B 117 -9.851 30.945 10.455 1.00 44.28 N ATOM 2505 CA ASN B 117 -8.546 31.578 10.207 1.00 43.43 C ATOM 2506 C ASN B 117 -8.584 32.679 9.148 1.00 42.27 C ATOM 2507 O ASN B 117 -7.781 33.602 9.216 1.00 41.40 O ATOM 2508 CB ASN B 117 -7.433 30.565 9.858 1.00 45.76 C ATOM 2509 CG ASN B 117 -6.974 29.728 11.066 1.00 54.72 C ATOM 2510 OD1 ASN B 117 -7.331 29.998 12.217 1.00 68.50 O ATOM 2511 ND2 ASN B 117 -6.192 28.690 10.788 1.00 62.25 N ATOM 0 H ASN B 117 -9.864 30.096 10.322 1.00 44.28 H new ATOM 0 HA ASN B 117 -8.329 31.992 11.057 1.00 43.43 H new ATOM 0 HB2 ASN B 117 -7.752 29.970 9.162 1.00 45.76 H new ATOM 0 HB3 ASN B 117 -6.671 31.043 9.495 1.00 45.76 H new ATOM 0 HD21 ASN B 117 -5.916 28.178 11.421 1.00 62.25 H new ATOM 0 HD22 ASN B 117 -5.962 28.530 9.975 1.00 62.25 H new ATOM 2512 N ASP B 118 -9.483 32.572 8.167 1.00 37.52 N ATOM 2513 CA ASP B 118 -9.666 33.632 7.182 1.00 38.24 C ATOM 2514 C ASP B 118 -10.226 34.918 7.801 1.00 36.81 C ATOM 2515 O ASP B 118 -9.972 35.996 7.264 1.00 36.40 O ATOM 2516 CB ASP B 118 -10.630 33.225 6.032 1.00 35.33 C ATOM 2517 CG ASP B 118 -9.998 32.327 4.993 1.00 43.20 C ATOM 2518 OD1 ASP B 118 -8.827 31.881 5.128 1.00 37.69 O ATOM 2519 OD2 ASP B 118 -10.698 32.091 3.988 1.00 41.18 O ATOM 0 H ASP B 118 -9.996 31.891 8.057 1.00 37.52 H new ATOM 0 HA ASP B 118 -8.775 33.787 6.830 1.00 38.24 H new ATOM 0 HB2 ASP B 118 -11.400 32.774 6.412 1.00 35.33 H new ATOM 0 HB3 ASP B 118 -10.958 34.028 5.597 1.00 35.33 H new ATOM 2520 N TYR B 119 -11.038 34.798 8.858 1.00 37.24 N ATOM 2521 CA TYR B 119 -11.679 35.940 9.516 1.00 37.54 C ATOM 2522 C TYR B 119 -10.695 36.482 10.551 1.00 37.62 C ATOM 2523 O TYR B 119 -10.949 36.467 11.745 1.00 37.43 O ATOM 2524 CB TYR B 119 -13.002 35.528 10.170 1.00 36.88 C ATOM 2525 CG TYR B 119 -14.035 34.947 9.243 1.00 39.12 C ATOM 2526 CD1 TYR B 119 -14.256 35.471 7.966 1.00 42.98 C ATOM 2527 CD2 TYR B 119 -14.862 33.901 9.682 1.00 41.10 C ATOM 2528 CE1 TYR B 119 -15.247 34.931 7.131 1.00 50.25 C ATOM 2529 CE2 TYR B 119 -15.842 33.370 8.858 1.00 35.27 C ATOM 2530 CZ TYR B 119 -16.030 33.879 7.591 1.00 43.24 C ATOM 2531 OH TYR B 119 -17.022 33.345 6.799 1.00 49.77 O ATOM 0 H TYR B 119 -11.233 34.041 9.216 1.00 37.24 H new ATOM 0 HA TYR B 119 -11.895 36.627 8.866 1.00 37.54 H new ATOM 0 HB2 TYR B 119 -12.812 34.878 10.864 1.00 36.88 H new ATOM 0 HB3 TYR B 119 -13.384 36.305 10.607 1.00 36.88 H new ATOM 0 HD1 TYR B 119 -13.741 36.185 7.666 1.00 42.98 H new ATOM 0 HD2 TYR B 119 -14.751 33.559 10.540 1.00 41.10 H new ATOM 0 HE1 TYR B 119 -15.378 35.275 6.277 1.00 50.25 H new ATOM 0 HE2 TYR B 119 -16.373 32.669 9.160 1.00 35.27 H new ATOM 0 HH TYR B 119 -17.404 32.721 7.211 1.00 49.77 H new ATOM 2532 N PHE B 120 -9.572 36.984 10.045 1.00 38.20 N ATOM 2533 CA PHE B 120 -8.431 37.356 10.912 1.00 37.77 C ATOM 2534 C PHE B 120 -8.798 38.378 11.977 1.00 35.56 C ATOM 2535 O PHE B 120 -8.322 38.273 13.088 1.00 36.61 O ATOM 2536 CB PHE B 120 -7.195 37.811 10.120 1.00 39.14 C ATOM 2537 CG PHE B 120 -7.439 38.944 9.189 1.00 39.13 C ATOM 2538 CD1 PHE B 120 -7.340 40.276 9.615 1.00 42.66 C ATOM 2539 CD2 PHE B 120 -7.713 38.699 7.841 1.00 43.45 C ATOM 2540 CE1 PHE B 120 -7.559 41.324 8.730 1.00 42.14 C ATOM 2541 CE2 PHE B 120 -7.941 39.750 6.958 1.00 47.08 C ATOM 2542 CZ PHE B 120 -7.856 41.071 7.405 1.00 42.58 C ATOM 0 H PHE B 120 -9.441 37.120 9.206 1.00 38.20 H new ATOM 0 HA PHE B 120 -8.193 36.535 11.371 1.00 37.77 H new ATOM 0 HB2 PHE B 120 -6.500 38.067 10.747 1.00 39.14 H new ATOM 0 HB3 PHE B 120 -6.856 37.058 9.612 1.00 39.14 H new ATOM 0 HD1 PHE B 120 -7.125 40.460 10.501 1.00 42.66 H new ATOM 0 HD2 PHE B 120 -7.743 37.823 7.530 1.00 43.45 H new ATOM 0 HE1 PHE B 120 -7.505 42.202 9.032 1.00 42.14 H new ATOM 0 HE2 PHE B 120 -8.150 39.573 6.069 1.00 47.08 H new ATOM 0 HZ PHE B 120 -7.998 41.775 6.814 1.00 42.58 H new ATOM 2543 N GLU B 121 -9.615 39.359 11.618 1.00 36.98 N ATOM 2544 CA GLU B 121 -10.054 40.374 12.591 1.00 37.54 C ATOM 2545 C GLU B 121 -10.961 39.787 13.670 1.00 38.83 C ATOM 2546 O GLU B 121 -10.868 40.152 14.851 1.00 35.04 O ATOM 2547 CB GLU B 121 -10.744 41.545 11.885 1.00 36.48 C ATOM 2548 CG GLU B 121 -11.513 42.543 12.772 1.00 40.65 C ATOM 2549 CD GLU B 121 -10.763 43.084 13.978 1.00 43.66 C ATOM 2550 OE1 GLU B 121 -9.508 43.049 14.025 1.00 36.40 O ATOM 2551 OE2 GLU B 121 -11.480 43.559 14.897 1.00 44.13 O ATOM 0 H GLU B 121 -9.929 39.462 10.824 1.00 36.98 H new ATOM 0 HA GLU B 121 -9.257 40.704 13.034 1.00 37.54 H new ATOM 0 HB2 GLU B 121 -10.070 42.038 11.391 1.00 36.48 H new ATOM 0 HB3 GLU B 121 -11.364 41.181 11.234 1.00 36.48 H new ATOM 0 HG2 GLU B 121 -11.786 43.293 12.221 1.00 40.65 H new ATOM 0 HG3 GLU B 121 -12.323 42.111 13.085 1.00 40.65 H new ATOM 2552 N GLN B 122 -11.851 38.894 13.252 1.00 37.58 N ATOM 2553 CA GLN B 122 -12.776 38.233 14.176 1.00 37.83 C ATOM 2554 C GLN B 122 -12.044 37.266 15.092 1.00 37.05 C ATOM 2555 O GLN B 122 -12.422 37.143 16.271 1.00 38.08 O ATOM 2556 CB GLN B 122 -13.941 37.579 13.426 1.00 39.10 C ATOM 2557 CG GLN B 122 -14.898 38.605 12.780 1.00 41.16 C ATOM 2558 CD GLN B 122 -14.382 39.276 11.518 1.00 41.00 C ATOM 2559 OE1 GLN B 122 -13.458 38.784 10.855 1.00 38.14 O ATOM 2560 NE2 GLN B 122 -14.981 40.405 11.175 1.00 42.01 N ATOM 0 H GLN B 122 -11.938 38.653 12.431 1.00 37.58 H new ATOM 0 HA GLN B 122 -13.167 38.911 14.749 1.00 37.83 H new ATOM 0 HB2 GLN B 122 -13.588 36.996 12.736 1.00 39.10 H new ATOM 0 HB3 GLN B 122 -14.442 37.020 14.041 1.00 39.10 H new ATOM 0 HG2 GLN B 122 -15.733 38.158 12.572 1.00 41.16 H new ATOM 0 HG3 GLN B 122 -15.099 39.292 13.434 1.00 41.16 H new ATOM 0 HE21 GLN B 122 -15.619 40.717 11.659 1.00 42.01 H new ATOM 0 HE22 GLN B 122 -14.732 40.826 10.468 1.00 42.01 H new ATOM 2561 N VAL B 123 -11.026 36.562 14.571 1.00 36.17 N ATOM 2562 CA AVAL B 123 -10.158 35.680 15.376 0.50 36.77 C ATOM 2563 CA BVAL B 123 -10.239 35.671 15.429 0.50 38.63 C ATOM 2564 C VAL B 123 -9.464 36.532 16.451 1.00 38.07 C ATOM 2565 O VAL B 123 -9.469 36.200 17.643 1.00 37.34 O ATOM 2566 CB AVAL B 123 -9.049 34.980 14.501 0.50 35.55 C ATOM 2567 CB BVAL B 123 -9.325 34.669 14.656 0.50 38.87 C ATOM 2568 CG1AVAL B 123 -7.900 34.408 15.358 0.50 36.50 C ATOM 2569 CG1BVAL B 123 -8.258 35.366 13.885 0.50 45.57 C ATOM 2570 CG2AVAL B 123 -9.639 33.899 13.627 0.50 34.56 C ATOM 2571 CG2BVAL B 123 -8.683 33.692 15.629 0.50 42.22 C ATOM 0 H AVAL B 123 -10.818 36.583 13.737 0.50 36.17 H new ATOM 0 H BVAL B 123 -10.783 36.586 13.746 0.50 36.17 H new ATOM 0 HA AVAL B 123 -10.713 34.988 15.768 0.50 38.63 H new ATOM 0 HA BVAL B 123 -10.855 35.086 15.897 0.50 38.63 H new ATOM 0 HB AVAL B 123 -8.674 35.669 13.931 0.50 38.87 H new ATOM 0 HB BVAL B 123 -9.889 34.192 14.027 0.50 38.87 H new ATOM 0 HG11AVAL B 123 -7.243 33.988 14.781 0.50 45.57 H new ATOM 0 HG11BVAL B 123 -7.714 34.711 13.421 0.50 45.57 H new ATOM 0 HG12AVAL B 123 -7.480 35.126 15.857 0.50 45.57 H new ATOM 0 HG12BVAL B 123 -8.664 35.965 13.239 0.50 45.57 H new ATOM 0 HG13AVAL B 123 -8.254 33.750 15.976 0.50 45.57 H new ATOM 0 HG13BVAL B 123 -7.700 35.877 14.493 0.50 45.57 H new ATOM 0 HG21AVAL B 123 -8.935 33.487 13.102 0.50 42.22 H new ATOM 0 HG21BVAL B 123 -8.117 33.074 15.141 0.50 42.22 H new ATOM 0 HG22AVAL B 123 -10.061 33.227 14.184 0.50 42.22 H new ATOM 0 HG22BVAL B 123 -8.147 34.181 16.272 0.50 42.22 H new ATOM 0 HG23AVAL B 123 -10.300 34.288 13.033 0.50 42.22 H new ATOM 0 HG23BVAL B 123 -9.375 33.197 16.095 0.50 42.22 H new ATOM 2572 N ARG B 124 -8.863 37.633 15.994 1.00 37.33 N ATOM 2573 CA ARG B 124 -8.131 38.561 16.894 1.00 37.97 C ATOM 2574 C ARG B 124 -9.039 39.085 18.019 1.00 36.18 C ATOM 2575 O ARG B 124 -8.655 39.067 19.197 1.00 36.65 O ATOM 2576 CB ARG B 124 -7.556 39.715 16.115 1.00 39.42 C ATOM 2577 CG ARG B 124 -6.708 40.697 16.979 1.00 38.45 C ATOM 2578 CD ARG B 124 -6.723 42.098 16.469 1.00 37.24 C ATOM 2579 NE ARG B 124 -8.069 42.683 16.468 1.00 39.61 N ATOM 2580 CZ ARG B 124 -8.699 43.168 17.541 1.00 39.29 C ATOM 2581 NH1 ARG B 124 -8.141 43.152 18.739 1.00 38.03 N ATOM 2582 NH2 ARG B 124 -9.928 43.650 17.406 1.00 37.81 N ATOM 0 H ARG B 124 -8.862 37.869 15.167 1.00 37.33 H new ATOM 0 HA ARG B 124 -7.405 38.062 17.299 1.00 37.97 H new ATOM 0 HB2 ARG B 124 -7.002 39.367 15.399 1.00 39.42 H new ATOM 0 HB3 ARG B 124 -8.281 40.207 15.699 1.00 39.42 H new ATOM 0 HG2 ARG B 124 -7.042 40.688 17.889 1.00 38.45 H new ATOM 0 HG3 ARG B 124 -5.791 40.381 17.010 1.00 38.45 H new ATOM 0 HD2 ARG B 124 -6.137 42.644 17.016 1.00 37.24 H new ATOM 0 HD3 ARG B 124 -6.366 42.114 15.567 1.00 37.24 H new ATOM 0 HE ARG B 124 -8.485 42.716 15.716 1.00 39.61 H new ATOM 0 HH11 ARG B 124 -7.353 42.824 18.842 1.00 38.03 H new ATOM 0 HH12 ARG B 124 -8.566 43.470 19.416 1.00 38.03 H new ATOM 0 HH21 ARG B 124 -10.309 43.647 16.635 1.00 37.81 H new ATOM 0 HH22 ARG B 124 -10.344 43.965 18.090 1.00 37.81 H new ATOM 2583 N SER B 125 -10.235 39.529 17.628 1.00 35.87 N ATOM 2584 CA SER B 125 -11.244 40.068 18.546 1.00 36.95 C ATOM 2585 C SER B 125 -11.664 39.036 19.593 1.00 38.20 C ATOM 2586 O SER B 125 -11.778 39.341 20.779 1.00 36.58 O ATOM 2587 CB SER B 125 -12.478 40.516 17.765 1.00 38.07 C ATOM 2588 OG SER B 125 -13.422 41.108 18.631 1.00 37.82 O ATOM 0 H SER B 125 -10.488 39.526 16.806 1.00 35.87 H new ATOM 0 HA SER B 125 -10.845 40.825 19.003 1.00 36.95 H new ATOM 0 HB2 SER B 125 -12.220 41.149 17.077 1.00 38.07 H new ATOM 0 HB3 SER B 125 -12.877 39.755 17.315 1.00 38.07 H new ATOM 0 HG SER B 125 -14.094 41.351 18.189 1.00 37.82 H new ATOM 2589 N TYR B 126 -11.918 37.821 19.117 1.00 35.69 N ATOM 2590 CA TYR B 126 -12.292 36.704 19.967 1.00 37.05 C ATOM 2591 C TYR B 126 -11.220 36.384 20.999 1.00 35.92 C ATOM 2592 O TYR B 126 -11.524 36.288 22.186 1.00 35.69 O ATOM 2593 CB TYR B 126 -12.607 35.472 19.091 1.00 36.54 C ATOM 2594 CG TYR B 126 -12.764 34.198 19.879 1.00 36.02 C ATOM 2595 CD1 TYR B 126 -13.739 34.087 20.875 1.00 41.42 C ATOM 2596 CD2 TYR B 126 -11.930 33.095 19.642 1.00 40.88 C ATOM 2597 CE1 TYR B 126 -13.891 32.889 21.610 1.00 42.44 C ATOM 2598 CE2 TYR B 126 -12.076 31.907 20.375 1.00 44.96 C ATOM 2599 CZ TYR B 126 -13.045 31.823 21.361 1.00 40.69 C ATOM 2600 OH TYR B 126 -13.204 30.646 22.061 1.00 43.14 O ATOM 0 H TYR B 126 -11.877 37.623 18.281 1.00 35.69 H new ATOM 0 HA TYR B 126 -13.086 36.955 20.464 1.00 37.05 H new ATOM 0 HB2 TYR B 126 -13.423 35.638 18.593 1.00 36.54 H new ATOM 0 HB3 TYR B 126 -11.896 35.356 18.441 1.00 36.54 H new ATOM 0 HD1 TYR B 126 -14.295 34.810 21.056 1.00 41.42 H new ATOM 0 HD2 TYR B 126 -11.270 33.152 18.989 1.00 40.88 H new ATOM 0 HE1 TYR B 126 -14.555 32.818 22.257 1.00 42.44 H new ATOM 0 HE2 TYR B 126 -11.524 31.179 20.199 1.00 44.96 H new ATOM 0 HH TYR B 126 -12.847 30.016 21.635 1.00 43.14 H new ATOM 2601 N ILE B 127 -9.970 36.254 20.547 1.00 37.40 N ATOM 2602 CA ILE B 127 -8.823 35.986 21.440 1.00 40.44 C ATOM 2603 C ILE B 127 -8.692 37.122 22.478 1.00 38.29 C ATOM 2604 O ILE B 127 -8.463 36.870 23.674 1.00 37.71 O ATOM 2605 CB ILE B 127 -7.498 35.814 20.622 1.00 40.62 C ATOM 2606 CG1 ILE B 127 -7.528 34.514 19.791 1.00 41.91 C ATOM 2607 CG2 ILE B 127 -6.228 35.828 21.528 1.00 42.68 C ATOM 2608 CD1 ILE B 127 -6.376 34.392 18.812 1.00 43.48 C ATOM 0 H ILE B 127 -9.758 36.318 19.716 1.00 37.40 H new ATOM 0 HA ILE B 127 -8.983 35.152 21.909 1.00 40.44 H new ATOM 0 HB ILE B 127 -7.444 36.578 20.026 1.00 40.62 H new ATOM 0 HG12 ILE B 127 -7.513 33.754 20.393 1.00 41.91 H new ATOM 0 HG13 ILE B 127 -8.364 34.471 19.302 1.00 41.91 H new ATOM 0 HG21 ILE B 127 -5.437 35.719 20.978 1.00 42.68 H new ATOM 0 HG22 ILE B 127 -6.178 36.673 22.002 1.00 42.68 H new ATOM 0 HG23 ILE B 127 -6.279 35.101 22.168 1.00 42.68 H new ATOM 0 HD11 ILE B 127 -6.453 33.557 18.324 1.00 43.48 H new ATOM 0 HD12 ILE B 127 -6.401 35.135 18.188 1.00 43.48 H new ATOM 0 HD13 ILE B 127 -5.536 34.406 19.297 1.00 43.48 H new ATOM 2609 N ASP B 128 -8.879 38.353 22.016 1.00 37.58 N ATOM 2610 CA ASP B 128 -8.780 39.503 22.887 1.00 35.80 C ATOM 2611 C ASP B 128 -9.874 39.485 23.967 1.00 35.99 C ATOM 2612 O ASP B 128 -9.600 39.779 25.147 1.00 38.28 O ATOM 2613 CB ASP B 128 -8.859 40.794 22.104 1.00 34.50 C ATOM 2614 CG ASP B 128 -8.383 41.958 22.925 1.00 43.48 C ATOM 2615 OD1 ASP B 128 -7.186 41.980 23.195 1.00 43.74 O ATOM 2616 OD2 ASP B 128 -9.195 42.800 23.321 1.00 42.38 O ATOM 0 H ASP B 128 -9.065 38.539 21.197 1.00 37.58 H new ATOM 0 HA ASP B 128 -7.914 39.454 23.322 1.00 35.80 H new ATOM 0 HB2 ASP B 128 -8.321 40.721 21.300 1.00 34.50 H new ATOM 0 HB3 ASP B 128 -9.774 40.948 21.820 1.00 34.50 H new ATOM 2617 N LEU B 129 -11.102 39.157 23.549 1.00 34.83 N ATOM 2618 CA LEU B 129 -12.228 39.048 24.472 1.00 35.45 C ATOM 2619 C LEU B 129 -12.002 37.881 25.442 1.00 35.01 C ATOM 2620 O LEU B 129 -12.280 38.007 26.654 1.00 35.44 O ATOM 2621 CB LEU B 129 -13.569 38.931 23.737 1.00 37.12 C ATOM 2622 CG LEU B 129 -14.837 39.008 24.580 1.00 37.89 C ATOM 2623 CD1 LEU B 129 -14.956 40.370 25.310 1.00 37.37 C ATOM 2624 CD2 LEU B 129 -16.053 38.764 23.706 1.00 38.84 C ATOM 0 H LEU B 129 -11.300 38.993 22.728 1.00 34.83 H new ATOM 0 HA LEU B 129 -12.276 39.868 24.988 1.00 35.45 H new ATOM 0 HB2 LEU B 129 -13.608 39.635 23.070 1.00 37.12 H new ATOM 0 HB3 LEU B 129 -13.577 38.087 23.259 1.00 37.12 H new ATOM 0 HG LEU B 129 -14.789 38.318 25.260 1.00 37.89 H new ATOM 0 HD11 LEU B 129 -15.771 40.386 25.836 1.00 37.37 H new ATOM 0 HD12 LEU B 129 -14.192 40.492 25.895 1.00 37.37 H new ATOM 0 HD13 LEU B 129 -14.979 41.087 24.657 1.00 37.37 H new ATOM 0 HD21 LEU B 129 -16.856 38.814 24.247 1.00 38.84 H new ATOM 0 HD22 LEU B 129 -16.091 39.437 23.009 1.00 38.84 H new ATOM 0 HD23 LEU B 129 -15.990 37.884 23.302 1.00 38.84 H new ATOM 2625 N ALA B 130 -11.490 36.769 24.926 1.00 36.97 N ATOM 2626 CA ALA B 130 -11.184 35.610 25.760 1.00 38.20 C ATOM 2627 C ALA B 130 -10.176 35.970 26.850 1.00 36.57 C ATOM 2628 O ALA B 130 -10.352 35.606 28.014 1.00 38.10 O ATOM 2629 CB ALA B 130 -10.684 34.407 24.904 1.00 36.77 C ATOM 0 H ALA B 130 -11.311 36.664 24.091 1.00 36.97 H new ATOM 0 HA ALA B 130 -12.007 35.335 26.194 1.00 38.20 H new ATOM 0 HB1 ALA B 130 -10.490 33.655 25.485 1.00 36.77 H new ATOM 0 HB2 ALA B 130 -11.371 34.154 24.268 1.00 36.77 H new ATOM 0 HB3 ALA B 130 -9.879 34.662 24.426 1.00 36.77 H new ATOM 2630 N ASP B 131 -9.127 36.692 26.473 1.00 37.98 N ATOM 2631 CA ASP B 131 -8.128 37.153 27.429 1.00 37.58 C ATOM 2632 C ASP B 131 -8.733 38.113 28.452 1.00 36.72 C ATOM 2633 O ASP B 131 -8.335 38.091 29.623 1.00 38.00 O ATOM 2634 CB ASP B 131 -6.950 37.809 26.707 1.00 39.65 C ATOM 2635 CG ASP B 131 -6.068 36.796 25.981 1.00 42.37 C ATOM 2636 OD1 ASP B 131 -6.282 35.575 26.097 1.00 46.26 O ATOM 2637 OD2 ASP B 131 -5.146 37.264 25.291 1.00 48.41 O ATOM 0 H ASP B 131 -8.975 36.928 25.660 1.00 37.98 H new ATOM 0 HA ASP B 131 -7.802 36.376 27.910 1.00 37.58 H new ATOM 0 HB2 ASP B 131 -7.287 38.456 26.068 1.00 39.65 H new ATOM 0 HB3 ASP B 131 -6.413 38.298 27.350 1.00 39.65 H new ATOM 2638 N HIS B 132 -9.681 38.945 28.012 1.00 37.14 N ATOM 2639 CA HIS B 132 -10.366 39.861 28.911 1.00 36.25 C ATOM 2640 C HIS B 132 -11.098 39.059 30.010 1.00 36.87 C ATOM 2641 O HIS B 132 -10.923 39.325 31.210 1.00 34.65 O ATOM 2642 CB HIS B 132 -11.351 40.789 28.169 1.00 34.77 C ATOM 2643 CG HIS B 132 -12.114 41.689 29.088 1.00 31.15 C ATOM 2644 ND1 HIS B 132 -11.520 42.725 29.769 1.00 32.59 N ATOM 2645 CD2 HIS B 132 -13.413 41.685 29.464 1.00 36.53 C ATOM 2646 CE1 HIS B 132 -12.418 43.315 30.535 1.00 39.39 C ATOM 2647 NE2 HIS B 132 -13.573 42.704 30.365 1.00 35.69 N ATOM 0 H HIS B 132 -9.939 38.990 27.193 1.00 37.14 H new ATOM 0 HA HIS B 132 -9.696 40.433 29.316 1.00 36.25 H new ATOM 0 HB2 HIS B 132 -10.860 41.329 27.530 1.00 34.77 H new ATOM 0 HB3 HIS B 132 -11.976 40.248 27.661 1.00 34.77 H new ATOM 0 HD1 HIS B 132 -10.693 42.953 29.706 1.00 32.59 H new ATOM 0 HD2 HIS B 132 -14.073 41.101 29.167 1.00 36.53 H new ATOM 0 HE1 HIS B 132 -12.262 44.038 31.098 1.00 39.39 H new ATOM 2648 N TYR B 133 -11.882 38.066 29.579 1.00 35.47 N ATOM 2649 CA TYR B 133 -12.661 37.257 30.503 1.00 37.15 C ATOM 2650 C TYR B 133 -11.796 36.372 31.398 1.00 37.53 C ATOM 2651 O TYR B 133 -12.082 36.252 32.599 1.00 39.59 O ATOM 2652 CB TYR B 133 -13.755 36.475 29.762 1.00 38.43 C ATOM 2653 CG TYR B 133 -14.863 37.311 29.145 1.00 38.07 C ATOM 2654 CD1 TYR B 133 -15.418 38.435 29.798 1.00 37.40 C ATOM 2655 CD2 TYR B 133 -15.468 36.901 27.954 1.00 38.67 C ATOM 2656 CE1 TYR B 133 -16.466 39.153 29.219 1.00 39.58 C ATOM 2657 CE2 TYR B 133 -16.501 37.607 27.380 1.00 37.16 C ATOM 2658 CZ TYR B 133 -17.008 38.732 28.023 1.00 38.46 C ATOM 2659 OH TYR B 133 -18.038 39.429 27.474 1.00 41.57 O ATOM 0 H TYR B 133 -11.973 37.849 28.752 1.00 35.47 H new ATOM 0 HA TYR B 133 -13.107 37.867 31.112 1.00 37.15 H new ATOM 0 HB2 TYR B 133 -13.337 35.954 29.059 1.00 38.43 H new ATOM 0 HB3 TYR B 133 -14.155 35.845 30.382 1.00 38.43 H new ATOM 0 HD1 TYR B 133 -15.081 38.699 30.623 1.00 37.40 H new ATOM 0 HD2 TYR B 133 -15.164 36.128 27.536 1.00 38.67 H new ATOM 0 HE1 TYR B 133 -16.798 39.914 29.639 1.00 39.58 H new ATOM 0 HE2 TYR B 133 -16.858 37.333 26.566 1.00 37.16 H new ATOM 0 HH TYR B 133 -18.477 38.926 26.965 1.00 41.57 H new ATOM 2660 N LEU B 134 -10.728 35.790 30.844 1.00 36.86 N ATOM 2661 CA LEU B 134 -9.785 35.031 31.675 1.00 37.48 C ATOM 2662 C LEU B 134 -9.134 35.970 32.701 1.00 37.09 C ATOM 2663 O LEU B 134 -8.930 35.593 33.864 1.00 36.89 O ATOM 2664 CB LEU B 134 -8.723 34.337 30.836 1.00 38.97 C ATOM 2665 CG LEU B 134 -7.765 33.411 31.604 1.00 41.86 C ATOM 2666 CD1 LEU B 134 -8.543 32.331 32.367 1.00 40.06 C ATOM 2667 CD2 LEU B 134 -6.813 32.806 30.600 1.00 38.44 C ATOM 0 H LEU B 134 -10.533 35.821 30.007 1.00 36.86 H new ATOM 0 HA LEU B 134 -10.280 34.338 32.139 1.00 37.48 H new ATOM 0 HB2 LEU B 134 -9.167 33.817 30.148 1.00 38.97 H new ATOM 0 HB3 LEU B 134 -8.197 35.015 30.384 1.00 38.97 H new ATOM 0 HG LEU B 134 -7.267 33.912 32.269 1.00 41.86 H new ATOM 0 HD11 LEU B 134 -7.921 31.759 32.843 1.00 40.06 H new ATOM 0 HD12 LEU B 134 -9.145 32.752 33.001 1.00 40.06 H new ATOM 0 HD13 LEU B 134 -9.056 31.798 31.740 1.00 40.06 H new ATOM 0 HD21 LEU B 134 -6.194 32.215 31.056 1.00 38.44 H new ATOM 0 HD22 LEU B 134 -7.315 32.302 29.941 1.00 38.44 H new ATOM 0 HD23 LEU B 134 -6.318 33.513 30.157 1.00 38.44 H new ATOM 2668 N GLY B 135 -8.783 37.179 32.267 1.00 36.81 N ATOM 2669 CA GLY B 135 -8.278 38.213 33.163 1.00 37.28 C ATOM 2670 C GLY B 135 -9.209 38.485 34.340 1.00 35.34 C ATOM 2671 O GLY B 135 -8.742 38.625 35.469 1.00 36.48 O ATOM 0 H GLY B 135 -8.832 37.422 31.443 1.00 36.81 H new ATOM 0 HA2 GLY B 135 -7.408 37.946 33.499 1.00 37.28 H new ATOM 0 HA3 GLY B 135 -8.149 39.034 32.662 1.00 37.28 H new ATOM 2672 N GLU B 136 -10.521 38.543 34.083 1.00 38.71 N ATOM 2673 CA GLU B 136 -11.509 38.737 35.153 1.00 37.39 C ATOM 2674 C GLU B 136 -11.547 37.569 36.161 1.00 37.21 C ATOM 2675 O GLU B 136 -11.584 37.805 37.366 1.00 36.13 O ATOM 2676 CB GLU B 136 -12.881 39.027 34.575 1.00 37.77 C ATOM 2677 CG GLU B 136 -12.906 40.402 33.903 1.00 42.81 C ATOM 2678 CD GLU B 136 -14.276 40.821 33.523 1.00 48.61 C ATOM 2679 OE1 GLU B 136 -14.997 40.012 32.917 1.00 54.06 O ATOM 2680 OE2 GLU B 136 -14.631 41.967 33.821 1.00 54.23 O ATOM 0 H GLU B 136 -10.859 38.472 33.296 1.00 38.71 H new ATOM 0 HA GLU B 136 -11.223 39.513 35.660 1.00 37.39 H new ATOM 0 HB2 GLU B 136 -13.116 38.342 33.930 1.00 37.77 H new ATOM 0 HB3 GLU B 136 -13.547 38.994 35.279 1.00 37.77 H new ATOM 0 HG2 GLU B 136 -12.525 41.060 34.505 1.00 42.81 H new ATOM 0 HG3 GLU B 136 -12.345 40.383 33.112 1.00 42.81 H new ATOM 2681 N ILE B 137 -11.448 36.345 35.658 1.00 38.01 N ATOM 2682 CA ILE B 137 -11.354 35.152 36.511 1.00 37.40 C ATOM 2683 C ILE B 137 -10.097 35.231 37.388 1.00 38.43 C ATOM 2684 O ILE B 137 -10.182 35.039 38.601 1.00 38.21 O ATOM 2685 CB ILE B 137 -11.379 33.843 35.676 1.00 38.06 C ATOM 2686 CG1 ILE B 137 -12.734 33.680 34.977 1.00 36.23 C ATOM 2687 CG2 ILE B 137 -11.070 32.585 36.566 1.00 37.08 C ATOM 2688 CD1 ILE B 137 -12.709 32.564 33.901 1.00 37.23 C ATOM 0 H ILE B 137 -11.433 36.176 34.815 1.00 38.01 H new ATOM 0 HA ILE B 137 -12.134 35.131 37.088 1.00 37.40 H new ATOM 0 HB ILE B 137 -10.683 33.909 35.004 1.00 38.06 H new ATOM 0 HG12 ILE B 137 -13.414 33.475 35.638 1.00 36.23 H new ATOM 0 HG13 ILE B 137 -12.985 34.520 34.563 1.00 36.23 H new ATOM 0 HG21 ILE B 137 -11.093 31.786 36.016 1.00 37.08 H new ATOM 0 HG22 ILE B 137 -10.190 32.678 36.964 1.00 37.08 H new ATOM 0 HG23 ILE B 137 -11.736 32.513 37.268 1.00 37.08 H new ATOM 0 HD11 ILE B 137 -13.583 32.495 33.486 1.00 37.23 H new ATOM 0 HD12 ILE B 137 -12.047 32.780 33.226 1.00 37.23 H new ATOM 0 HD13 ILE B 137 -12.482 31.718 34.317 1.00 37.23 H new ATOM 2689 N ILE B 138 -8.965 35.559 36.762 1.00 37.42 N ATOM 2690 CA ILE B 138 -7.670 35.698 37.440 1.00 38.67 C ATOM 2691 C ILE B 138 -7.727 36.799 38.486 1.00 38.58 C ATOM 2692 O ILE B 138 -7.267 36.592 39.614 1.00 35.99 O ATOM 2693 CB ILE B 138 -6.503 35.862 36.415 1.00 41.09 C ATOM 2694 CG1 ILE B 138 -6.324 34.535 35.647 1.00 40.82 C ATOM 2695 CG2 ILE B 138 -5.171 36.313 37.084 1.00 38.64 C ATOM 2696 CD1 ILE B 138 -5.446 34.618 34.403 1.00 39.39 C ATOM 0 H ILE B 138 -8.926 35.710 35.916 1.00 37.42 H new ATOM 0 HA ILE B 138 -7.478 34.877 37.920 1.00 38.67 H new ATOM 0 HB ILE B 138 -6.738 36.571 35.797 1.00 41.09 H new ATOM 0 HG12 ILE B 138 -5.944 33.878 36.250 1.00 40.82 H new ATOM 0 HG13 ILE B 138 -7.199 34.208 35.386 1.00 40.82 H new ATOM 0 HG21 ILE B 138 -4.482 36.400 36.407 1.00 38.64 H new ATOM 0 HG22 ILE B 138 -5.302 37.168 37.522 1.00 38.64 H new ATOM 0 HG23 ILE B 138 -4.898 35.652 37.740 1.00 38.64 H new ATOM 0 HD11 ILE B 138 -5.390 33.743 33.987 1.00 39.39 H new ATOM 0 HD12 ILE B 138 -5.832 35.250 33.776 1.00 39.39 H new ATOM 0 HD13 ILE B 138 -4.557 34.914 34.653 1.00 39.39 H new ATOM 2697 N GLY B 139 -8.306 37.954 38.149 1.00 37.62 N ATOM 2698 CA GLY B 139 -8.448 39.043 39.124 1.00 37.04 C ATOM 2699 C GLY B 139 -9.197 38.618 40.379 1.00 38.36 C ATOM 2700 O GLY B 139 -8.779 38.957 41.497 1.00 38.88 O ATOM 0 H GLY B 139 -8.621 38.128 37.368 1.00 37.62 H new ATOM 0 HA2 GLY B 139 -7.568 39.366 39.372 1.00 37.04 H new ATOM 0 HA3 GLY B 139 -8.916 39.784 38.709 1.00 37.04 H new ATOM 2701 N GLU B 140 -10.298 37.878 40.193 1.00 37.87 N ATOM 2702 CA GLU B 140 -11.104 37.371 41.320 1.00 39.93 C ATOM 2703 C GLU B 140 -10.302 36.358 42.131 1.00 38.21 C ATOM 2704 O GLU B 140 -10.337 36.371 43.370 1.00 39.67 O ATOM 2705 CB GLU B 140 -12.415 36.721 40.852 1.00 39.59 C ATOM 2706 CG GLU B 140 -13.440 36.573 41.997 1.00 46.95 C ATOM 2707 CD GLU B 140 -14.725 35.840 41.610 1.00 46.88 C ATOM 2708 OE1 GLU B 140 -14.970 35.593 40.394 1.00 58.13 O ATOM 2709 OE2 GLU B 140 -15.480 35.505 42.561 1.00 59.66 O ATOM 0 H GLU B 140 -10.598 37.656 39.418 1.00 37.87 H new ATOM 0 HA GLU B 140 -11.329 38.136 41.872 1.00 39.93 H new ATOM 0 HB2 GLU B 140 -12.803 37.256 40.141 1.00 39.59 H new ATOM 0 HB3 GLU B 140 -12.224 35.847 40.477 1.00 39.59 H new ATOM 0 HG2 GLU B 140 -13.020 36.099 42.732 1.00 46.95 H new ATOM 0 HG3 GLU B 140 -13.671 37.456 42.324 1.00 46.95 H new ATOM 2710 N ALA B 141 -9.604 35.458 41.437 1.00 36.74 N ATOM 2711 CA ALA B 141 -8.706 34.472 42.086 1.00 38.89 C ATOM 2712 C ALA B 141 -7.631 35.175 42.903 1.00 37.69 C ATOM 2713 O ALA B 141 -7.341 34.770 44.048 1.00 38.38 O ATOM 2714 CB ALA B 141 -8.051 33.531 41.039 1.00 37.71 C ATOM 0 H ALA B 141 -9.631 35.395 40.580 1.00 36.74 H new ATOM 0 HA ALA B 141 -9.248 33.932 42.683 1.00 38.89 H new ATOM 0 HB1 ALA B 141 -7.471 32.898 41.490 1.00 37.71 H new ATOM 0 HB2 ALA B 141 -8.743 33.049 40.559 1.00 37.71 H new ATOM 0 HB3 ALA B 141 -7.530 34.057 40.412 1.00 37.71 H new HETATM 2715 N MSE B 142 -7.060 36.236 42.328 1.00 38.59 N HETATM 2716 CA MSE B 142 -6.042 37.046 43.024 1.00 38.97 C HETATM 2717 C MSE B 142 -6.576 37.675 44.286 1.00 39.91 C HETATM 2718 O MSE B 142 -5.869 37.671 45.313 1.00 40.28 O HETATM 2719 CB MSE B 142 -5.412 38.094 42.128 1.00 40.01 C HETATM 2720 CG MSE B 142 -4.490 37.500 41.101 1.00 38.67 C HETATM 2721 SE MSE B 142 -3.797 38.868 39.944 0.75 39.88 SE HETATM 2722 CE MSE B 142 -2.512 37.711 39.021 1.00 37.18 C HETATM 0 H MSE B 142 -7.246 36.508 41.533 1.00 38.59 H new HETATM 0 HA MSE B 142 -5.342 36.423 43.275 1.00 38.97 H new HETATM 0 HB2 MSE B 142 -6.112 38.593 41.679 1.00 40.01 H new HETATM 0 HB3 MSE B 142 -4.918 38.726 42.673 1.00 40.01 H new HETATM 0 HG2 MSE B 142 -3.758 37.041 41.543 1.00 38.67 H new HETATM 0 HG3 MSE B 142 -4.966 36.836 40.577 1.00 38.67 H new HETATM 0 HE1 MSE B 142 -2.028 38.228 38.358 1.00 37.18 H new HETATM 0 HE2 MSE B 142 -1.886 37.345 39.665 1.00 37.18 H new HETATM 0 HE3 MSE B 142 -2.985 36.987 38.583 1.00 37.18 H new ATOM 2723 N SER B 143 -7.810 38.177 44.240 1.00 41.56 N ATOM 2724 CA ASER B 143 -8.419 38.767 45.429 0.50 41.59 C ATOM 2725 CA BSER B 143 -8.423 38.762 45.439 0.50 42.50 C ATOM 2726 C SER B 143 -8.520 37.706 46.538 1.00 41.92 C ATOM 2727 O SER B 143 -8.279 38.008 47.691 1.00 41.62 O ATOM 2728 CB ASER B 143 -9.779 39.399 45.102 0.50 42.35 C ATOM 2729 CB BSER B 143 -9.805 39.355 45.161 0.50 43.39 C ATOM 2730 OG ASER B 143 -9.643 40.474 44.166 0.50 42.90 O ATOM 2731 OG BSER B 143 -10.776 38.350 44.945 0.50 50.83 O ATOM 0 H ASER B 143 -8.306 38.186 43.537 0.50 41.56 H new ATOM 0 H BSER B 143 -8.305 38.190 43.537 0.50 41.56 H new ATOM 0 HA ASER B 143 -7.855 39.487 45.752 0.50 42.50 H new ATOM 0 HA BSER B 143 -7.852 39.491 45.728 0.50 42.50 H new ATOM 0 HB2ASER B 143 -10.372 38.724 44.738 0.50 43.39 H new ATOM 0 HB2BSER B 143 -10.075 39.910 45.910 0.50 43.39 H new ATOM 0 HB3ASER B 143 -10.190 39.727 45.917 0.50 43.39 H new ATOM 0 HB3BSER B 143 -9.758 39.932 44.383 0.50 43.39 H new ATOM 0 HG ASER B 143 -9.399 40.169 43.422 0.50 50.83 H new ATOM 0 HG BSER B 143 -10.421 37.697 44.554 0.50 50.83 H new ATOM 2732 N ASP B 144 -8.841 36.461 46.164 1.00 43.29 N ATOM 2733 CA ASP B 144 -8.924 35.333 47.110 1.00 42.28 C ATOM 2734 C ASP B 144 -7.576 34.860 47.656 1.00 43.59 C ATOM 2735 O ASP B 144 -7.564 34.149 48.650 1.00 43.59 O ATOM 2736 CB ASP B 144 -9.650 34.110 46.507 1.00 44.79 C ATOM 2737 CG ASP B 144 -11.136 34.356 46.220 1.00 48.53 C ATOM 2738 OD1 ASP B 144 -11.774 35.267 46.794 1.00 51.52 O ATOM 2739 OD2 ASP B 144 -11.695 33.579 45.415 1.00 49.50 O ATOM 0 H ASP B 144 -9.018 36.244 45.351 1.00 43.29 H new ATOM 0 HA ASP B 144 -9.435 35.700 47.848 1.00 42.28 H new ATOM 0 HB2 ASP B 144 -9.207 33.855 45.682 1.00 44.79 H new ATOM 0 HB3 ASP B 144 -9.566 33.361 47.117 1.00 44.79 H new ATOM 2740 N GLY B 145 -6.468 35.243 47.019 1.00 41.38 N ATOM 2741 CA GLY B 145 -5.121 34.889 47.437 1.00 41.35 C ATOM 2742 C GLY B 145 -4.307 34.081 46.446 1.00 42.72 C ATOM 2743 O GLY B 145 -3.151 33.764 46.736 1.00 42.51 O ATOM 0 H GLY B 145 -6.486 35.731 46.311 1.00 41.38 H new ATOM 0 HA2 GLY B 145 -4.638 35.706 47.635 1.00 41.35 H new ATOM 0 HA3 GLY B 145 -5.180 34.387 48.265 1.00 41.35 H new ATOM 2744 N ALA B 146 -4.872 33.732 45.281 1.00 41.25 N ATOM 2745 CA ALA B 146 -4.128 32.943 44.286 1.00 41.28 C ATOM 2746 C ALA B 146 -3.142 33.817 43.528 1.00 40.48 C ATOM 2747 O ALA B 146 -3.238 35.048 43.544 1.00 39.77 O ATOM 2748 CB ALA B 146 -5.082 32.251 43.297 1.00 42.40 C ATOM 0 H ALA B 146 -5.674 33.939 45.050 1.00 41.25 H new ATOM 0 HA ALA B 146 -3.635 32.260 44.767 1.00 41.28 H new ATOM 0 HB1 ALA B 146 -4.567 31.739 42.654 1.00 42.40 H new ATOM 0 HB2 ALA B 146 -5.675 31.656 43.782 1.00 42.40 H new ATOM 0 HB3 ALA B 146 -5.606 32.921 42.831 1.00 42.40 H new ATOM 2749 N PHE B 147 -2.198 33.155 42.858 1.00 38.74 N ATOM 2750 CA PHE B 147 -1.237 33.788 41.953 1.00 39.10 C ATOM 2751 C PHE B 147 -0.443 34.937 42.597 1.00 40.59 C ATOM 2752 O PHE B 147 -0.190 35.966 41.961 1.00 42.52 O ATOM 2753 CB PHE B 147 -1.956 34.244 40.673 1.00 37.86 C ATOM 2754 CG PHE B 147 -2.890 33.196 40.107 1.00 40.10 C ATOM 2755 CD1 PHE B 147 -2.415 31.909 39.804 1.00 39.41 C ATOM 2756 CD2 PHE B 147 -4.239 33.488 39.888 1.00 39.61 C ATOM 2757 CE1 PHE B 147 -3.266 30.935 39.300 1.00 42.27 C ATOM 2758 CE2 PHE B 147 -5.097 32.530 39.358 1.00 38.24 C ATOM 2759 CZ PHE B 147 -4.616 31.235 39.083 1.00 38.07 C ATOM 0 H PHE B 147 -2.096 32.303 42.919 1.00 38.74 H new ATOM 0 HA PHE B 147 -0.571 33.119 41.729 1.00 39.10 H new ATOM 0 HB2 PHE B 147 -2.461 35.050 40.863 1.00 37.86 H new ATOM 0 HB3 PHE B 147 -1.294 34.475 40.002 1.00 37.86 H new ATOM 0 HD1 PHE B 147 -1.518 31.707 39.943 1.00 39.41 H new ATOM 0 HD2 PHE B 147 -4.567 34.332 40.099 1.00 39.61 H new ATOM 0 HE1 PHE B 147 -2.940 30.086 39.107 1.00 42.27 H new ATOM 0 HE2 PHE B 147 -5.986 32.744 39.186 1.00 38.24 H new ATOM 0 HZ PHE B 147 -5.193 30.582 38.759 1.00 38.07 H new ATOM 2760 N SER B 148 -0.034 34.713 43.844 1.00 42.27 N ATOM 2761 CA SER B 148 0.631 35.733 44.657 1.00 42.99 C ATOM 2762 C SER B 148 1.894 36.286 43.998 1.00 43.02 C ATOM 2763 O SER B 148 2.764 35.531 43.557 1.00 43.19 O ATOM 2764 CB SER B 148 0.940 35.206 46.064 1.00 43.41 C ATOM 2765 OG SER B 148 1.616 36.185 46.834 1.00 47.89 O ATOM 0 H SER B 148 -0.135 33.960 44.246 1.00 42.27 H new ATOM 0 HA SER B 148 0.007 36.471 44.732 1.00 42.99 H new ATOM 0 HB2 SER B 148 0.115 34.954 46.507 1.00 43.41 H new ATOM 0 HB3 SER B 148 1.485 34.406 46.001 1.00 43.41 H new ATOM 0 HG SER B 148 1.775 35.879 47.600 1.00 47.89 H new ATOM 2766 N GLY B 149 1.962 37.610 43.912 1.00 40.98 N ATOM 2767 CA GLY B 149 3.095 38.292 43.316 1.00 40.56 C ATOM 2768 C GLY B 149 3.100 38.414 41.813 1.00 42.28 C ATOM 2769 O GLY B 149 3.999 39.059 41.279 1.00 43.74 O ATOM 0 H GLY B 149 1.347 38.138 44.200 1.00 40.98 H new ATOM 0 HA2 GLY B 149 3.143 39.185 43.692 1.00 40.56 H new ATOM 0 HA3 GLY B 149 3.903 37.828 43.585 1.00 40.56 H new ATOM 2770 N LEU B 150 2.135 37.795 41.114 1.00 43.38 N ATOM 2771 CA LEU B 150 2.059 37.880 39.654 1.00 42.37 C ATOM 2772 C LEU B 150 1.099 38.994 39.246 1.00 42.81 C ATOM 2773 O LEU B 150 0.197 39.342 40.010 1.00 43.26 O ATOM 2774 CB LEU B 150 1.588 36.553 39.047 1.00 41.80 C ATOM 2775 CG LEU B 150 2.485 35.323 39.260 1.00 42.27 C ATOM 2776 CD1 LEU B 150 1.779 34.022 38.849 1.00 43.68 C ATOM 2777 CD2 LEU B 150 3.829 35.497 38.516 1.00 43.70 C ATOM 0 H LEU B 150 1.514 37.320 41.473 1.00 43.38 H new ATOM 0 HA LEU B 150 2.948 38.075 39.318 1.00 42.37 H new ATOM 0 HB2 LEU B 150 0.711 36.352 39.409 1.00 41.80 H new ATOM 0 HB3 LEU B 150 1.477 36.682 38.092 1.00 41.80 H new ATOM 0 HG LEU B 150 2.671 35.253 40.209 1.00 42.27 H new ATOM 0 HD11 LEU B 150 2.374 33.270 38.997 1.00 43.68 H new ATOM 0 HD12 LEU B 150 0.976 33.908 39.380 1.00 43.68 H new ATOM 0 HD13 LEU B 150 1.541 34.065 37.910 1.00 43.68 H new ATOM 0 HD21 LEU B 150 4.383 34.714 38.660 1.00 43.70 H new ATOM 0 HD22 LEU B 150 3.662 35.604 37.567 1.00 43.70 H new ATOM 0 HD23 LEU B 150 4.287 36.283 38.854 1.00 43.70 H new ATOM 2778 N GLU B 151 1.318 39.525 38.041 1.00 43.61 N ATOM 2779 CA GLU B 151 0.460 40.521 37.396 1.00 45.96 C ATOM 2780 C GLU B 151 -0.587 39.759 36.593 1.00 44.67 C ATOM 2781 O GLU B 151 -0.394 38.561 36.251 1.00 41.96 O ATOM 2782 CB GLU B 151 1.269 41.411 36.440 1.00 46.24 C ATOM 2783 CG GLU B 151 2.439 42.214 37.065 1.00 55.29 C ATOM 2784 CD GLU B 151 2.013 43.429 37.889 1.00 71.28 C ATOM 2785 OE1 GLU B 151 2.920 44.157 38.362 1.00 76.75 O ATOM 2786 OE2 GLU B 151 0.791 43.670 38.067 1.00 79.96 O ATOM 0 H GLU B 151 1.996 39.306 37.559 1.00 43.61 H new ATOM 0 HA GLU B 151 0.056 41.091 38.069 1.00 45.96 H new ATOM 0 HB2 GLU B 151 1.628 40.851 35.735 1.00 46.24 H new ATOM 0 HB3 GLU B 151 0.660 42.039 36.021 1.00 46.24 H new ATOM 0 HG2 GLU B 151 2.956 41.620 37.631 1.00 55.29 H new ATOM 0 HG3 GLU B 151 3.027 42.511 36.353 1.00 55.29 H new ATOM 2787 N VAL B 152 -1.669 40.444 36.241 1.00 43.26 N ATOM 2788 CA VAL B 152 -2.766 39.801 35.498 1.00 43.54 C ATOM 2789 C VAL B 152 -2.354 39.393 34.089 1.00 45.22 C ATOM 2790 O VAL B 152 -2.587 38.243 33.720 1.00 44.63 O ATOM 2791 CB VAL B 152 -4.071 40.651 35.462 1.00 44.50 C ATOM 2792 CG1 VAL B 152 -5.167 39.910 34.702 1.00 40.03 C ATOM 2793 CG2 VAL B 152 -4.537 40.958 36.890 1.00 42.20 C ATOM 0 H VAL B 152 -1.794 41.276 36.418 1.00 43.26 H new ATOM 0 HA VAL B 152 -2.966 38.995 35.998 1.00 43.54 H new ATOM 0 HB VAL B 152 -3.886 41.486 35.004 1.00 44.50 H new ATOM 0 HG11 VAL B 152 -5.973 40.450 34.687 1.00 40.03 H new ATOM 0 HG12 VAL B 152 -4.874 39.743 33.793 1.00 40.03 H new ATOM 0 HG13 VAL B 152 -5.352 39.066 35.142 1.00 40.03 H new ATOM 0 HG21 VAL B 152 -5.349 41.487 36.859 1.00 42.20 H new ATOM 0 HG22 VAL B 152 -4.711 40.127 37.360 1.00 42.20 H new ATOM 0 HG23 VAL B 152 -3.846 41.454 37.356 1.00 42.20 H new ATOM 2794 N ASP B 153 -1.710 40.302 33.348 1.00 44.64 N ATOM 2795 CA AASP B 153 -1.277 40.032 31.972 0.50 45.33 C ATOM 2796 CA BASP B 153 -1.312 40.005 31.968 0.50 44.64 C ATOM 2797 C ASP B 153 -0.363 38.799 31.888 1.00 44.18 C ATOM 2798 O ASP B 153 -0.585 37.927 31.067 1.00 42.27 O ATOM 2799 CB AASP B 153 -0.646 41.276 31.284 0.50 46.12 C ATOM 2800 CB BASP B 153 -0.711 41.224 31.267 0.50 44.79 C ATOM 2801 CG AASP B 153 0.699 41.758 31.922 0.50 49.13 C ATOM 2802 OD1AASP B 153 1.067 41.384 33.063 0.50 45.09 O ATOM 2803 OD2AASP B 153 1.397 42.547 31.245 0.50 57.14 O ATOM 0 H AASP B 153 -1.513 41.091 33.629 0.50 44.64 H new ATOM 0 H BASP B 153 -1.496 41.088 33.623 0.50 44.64 H new ATOM 0 HA AASP B 153 -2.081 39.825 31.470 0.50 44.64 H new ATOM 0 HA BASP B 153 -2.125 39.769 31.495 0.50 44.64 H new ATOM 0 HB2AASP B 153 -0.492 41.071 30.349 0.50 44.79 H new ATOM 0 HB2BASP B 153 -0.559 41.005 30.334 0.50 44.79 H new ATOM 0 HB3AASP B 153 -1.284 42.006 31.313 0.50 44.79 H new ATOM 0 HB3BASP B 153 -1.358 41.946 31.287 0.50 44.79 H new ATOM 2804 N GLU B 154 0.654 38.733 32.760 1.00 42.68 N ATOM 2805 CA GLU B 154 1.586 37.576 32.739 1.00 45.66 C ATOM 2806 C GLU B 154 0.868 36.273 33.138 1.00 43.44 C ATOM 2807 O GLU B 154 1.185 35.211 32.585 1.00 42.14 O ATOM 2808 CB GLU B 154 2.863 37.799 33.575 1.00 45.85 C ATOM 2809 CG GLU B 154 2.649 37.792 35.076 1.00 49.46 C ATOM 2810 CD GLU B 154 3.894 38.071 35.900 1.00 49.68 C ATOM 2811 OE1 GLU B 154 5.011 37.633 35.530 1.00 47.03 O ATOM 2812 OE2 GLU B 154 3.720 38.711 36.965 1.00 44.54 O ATOM 0 H GLU B 154 0.824 39.327 33.358 1.00 42.68 H new ATOM 0 HA GLU B 154 1.885 37.489 31.820 1.00 45.66 H new ATOM 0 HB2 GLU B 154 3.507 37.109 33.349 1.00 45.85 H new ATOM 0 HB3 GLU B 154 3.257 38.648 33.321 1.00 45.85 H new ATOM 0 HG2 GLU B 154 1.976 38.454 35.297 1.00 49.46 H new ATOM 0 HG3 GLU B 154 2.292 36.928 35.335 1.00 49.46 H new ATOM 2813 N THR B 155 -0.105 36.366 34.057 1.00 40.93 N ATOM 2814 CA THR B 155 -0.897 35.197 34.502 1.00 40.17 C ATOM 2815 C THR B 155 -1.810 34.667 33.401 1.00 40.91 C ATOM 2816 O THR B 155 -1.939 33.429 33.224 1.00 38.79 O ATOM 2817 CB THR B 155 -1.654 35.482 35.821 1.00 39.38 C ATOM 2818 OG1 THR B 155 -0.701 35.919 36.798 1.00 39.82 O ATOM 2819 CG2 THR B 155 -2.421 34.227 36.345 1.00 39.51 C ATOM 0 H THR B 155 -0.326 37.104 34.440 1.00 40.93 H new ATOM 0 HA THR B 155 -0.268 34.484 34.695 1.00 40.17 H new ATOM 0 HB THR B 155 -2.320 36.168 35.655 1.00 39.38 H new ATOM 0 HG1 THR B 155 -0.559 36.741 36.703 1.00 39.82 H new ATOM 0 HG21 THR B 155 -2.880 34.449 37.170 1.00 39.51 H new ATOM 0 HG22 THR B 155 -3.069 33.943 35.682 1.00 39.51 H new ATOM 0 HG23 THR B 155 -1.791 33.508 36.509 1.00 39.51 H new ATOM 2820 N ILE B 156 -2.438 35.582 32.644 1.00 38.82 N ATOM 2821 CA ILE B 156 -3.234 35.193 31.476 1.00 39.62 C ATOM 2822 C ILE B 156 -2.353 34.380 30.491 1.00 38.66 C ATOM 2823 O ILE B 156 -2.784 33.348 30.010 1.00 39.60 O ATOM 2824 CB ILE B 156 -3.802 36.432 30.720 1.00 39.11 C ATOM 2825 CG1 ILE B 156 -4.877 37.147 31.554 1.00 41.58 C ATOM 2826 CG2 ILE B 156 -4.338 36.039 29.357 1.00 41.13 C ATOM 2827 CD1 ILE B 156 -5.275 38.544 31.005 1.00 37.59 C ATOM 0 H ILE B 156 -2.413 36.429 32.793 1.00 38.82 H new ATOM 0 HA ILE B 156 -3.977 34.659 31.798 1.00 39.62 H new ATOM 0 HB ILE B 156 -3.072 37.056 30.583 1.00 39.11 H new ATOM 0 HG12 ILE B 156 -5.668 36.587 31.593 1.00 41.58 H new ATOM 0 HG13 ILE B 156 -4.555 37.247 32.463 1.00 41.58 H new ATOM 0 HG21 ILE B 156 -4.685 36.825 28.907 1.00 41.13 H new ATOM 0 HG22 ILE B 156 -3.623 35.653 28.827 1.00 41.13 H new ATOM 0 HG23 ILE B 156 -5.049 35.388 29.464 1.00 41.13 H new ATOM 0 HD11 ILE B 156 -5.954 38.935 31.577 1.00 37.59 H new ATOM 0 HD12 ILE B 156 -4.495 39.120 30.989 1.00 37.59 H new ATOM 0 HD13 ILE B 156 -5.626 38.451 30.105 1.00 37.59 H new ATOM 2828 N SER B 157 -1.144 34.868 30.222 1.00 39.63 N ATOM 2829 CA SER B 157 -0.184 34.188 29.334 1.00 39.66 C ATOM 2830 C SER B 157 0.219 32.820 29.900 1.00 38.67 C ATOM 2831 O SER B 157 0.163 31.823 29.190 1.00 38.23 O ATOM 2832 CB SER B 157 1.058 35.026 29.085 1.00 42.75 C ATOM 2833 OG SER B 157 1.887 34.371 28.148 1.00 43.41 O ATOM 0 H SER B 157 -0.850 35.607 30.549 1.00 39.63 H new ATOM 0 HA SER B 157 -0.635 34.060 28.485 1.00 39.66 H new ATOM 0 HB2 SER B 157 0.808 35.902 28.753 1.00 42.75 H new ATOM 0 HB3 SER B 157 1.539 35.164 29.916 1.00 42.75 H new ATOM 0 HG SER B 157 1.413 33.916 27.625 1.00 43.41 H new ATOM 2834 N LEU B 158 0.576 32.784 31.176 1.00 40.24 N ATOM 2835 CA LEU B 158 0.941 31.509 31.848 1.00 39.60 C ATOM 2836 C LEU B 158 -0.184 30.469 31.838 1.00 39.25 C ATOM 2837 O LEU B 158 0.070 29.303 31.524 1.00 38.09 O ATOM 2838 CB LEU B 158 1.435 31.765 33.278 1.00 39.14 C ATOM 2839 CG LEU B 158 2.798 32.435 33.416 1.00 40.11 C ATOM 2840 CD1 LEU B 158 2.938 33.123 34.778 1.00 37.09 C ATOM 2841 CD2 LEU B 158 3.868 31.379 33.153 1.00 35.42 C ATOM 0 H LEU B 158 0.618 33.478 31.683 1.00 40.24 H new ATOM 0 HA LEU B 158 1.665 31.129 31.327 1.00 39.60 H new ATOM 0 HB2 LEU B 158 0.778 32.316 33.732 1.00 39.14 H new ATOM 0 HB3 LEU B 158 1.465 30.916 33.746 1.00 39.14 H new ATOM 0 HG LEU B 158 2.903 33.145 32.764 1.00 40.11 H new ATOM 0 HD11 LEU B 158 3.811 33.541 34.842 1.00 37.09 H new ATOM 0 HD12 LEU B 158 2.249 33.799 34.872 1.00 37.09 H new ATOM 0 HD13 LEU B 158 2.843 32.465 35.484 1.00 37.09 H new ATOM 0 HD21 LEU B 158 4.747 31.781 33.235 1.00 35.42 H new ATOM 0 HD22 LEU B 158 3.780 30.661 33.799 1.00 35.42 H new ATOM 0 HD23 LEU B 158 3.758 31.023 32.257 1.00 35.42 H new ATOM 2842 N VAL B 159 -1.425 30.888 32.105 1.00 39.13 N ATOM 2843 CA VAL B 159 -2.579 29.981 32.081 1.00 39.89 C ATOM 2844 C VAL B 159 -2.823 29.476 30.653 1.00 38.65 C ATOM 2845 O VAL B 159 -3.046 28.295 30.451 1.00 39.05 O ATOM 2846 CB VAL B 159 -3.874 30.610 32.676 1.00 38.95 C ATOM 2847 CG1 VAL B 159 -5.128 29.710 32.447 1.00 37.83 C ATOM 2848 CG2 VAL B 159 -3.678 30.905 34.158 1.00 38.16 C ATOM 0 H VAL B 159 -1.621 31.701 32.304 1.00 39.13 H new ATOM 0 HA VAL B 159 -2.358 29.232 32.657 1.00 39.89 H new ATOM 0 HB VAL B 159 -4.039 31.442 32.206 1.00 38.95 H new ATOM 0 HG11 VAL B 159 -5.909 30.138 32.832 1.00 37.83 H new ATOM 0 HG12 VAL B 159 -5.266 29.583 31.495 1.00 37.83 H new ATOM 0 HG13 VAL B 159 -4.990 28.849 32.871 1.00 37.83 H new ATOM 0 HG21 VAL B 159 -4.488 31.296 34.520 1.00 38.16 H new ATOM 0 HG22 VAL B 159 -3.479 30.081 34.629 1.00 38.16 H new ATOM 0 HG23 VAL B 159 -2.942 31.526 34.270 1.00 38.16 H new ATOM 2849 N ASN B 160 -2.815 30.382 29.677 1.00 39.03 N ATOM 2850 CA ASN B 160 -2.960 29.983 28.270 1.00 40.08 C ATOM 2851 C ASN B 160 -1.890 28.986 27.835 1.00 39.71 C ATOM 2852 O ASN B 160 -2.182 28.069 27.062 1.00 41.56 O ATOM 2853 CB ASN B 160 -2.940 31.212 27.331 1.00 41.52 C ATOM 2854 CG ASN B 160 -4.252 32.035 27.383 1.00 40.90 C ATOM 2855 OD1 ASN B 160 -5.326 31.488 27.576 1.00 51.07 O ATOM 2856 ND2 ASN B 160 -4.144 33.336 27.133 1.00 48.57 N ATOM 0 H ASN B 160 -2.728 31.228 29.803 1.00 39.03 H new ATOM 0 HA ASN B 160 -3.823 29.545 28.201 1.00 40.08 H new ATOM 0 HB2 ASN B 160 -2.195 31.785 27.572 1.00 41.52 H new ATOM 0 HB3 ASN B 160 -2.786 30.915 26.421 1.00 41.52 H new ATOM 0 HD21 ASN B 160 -4.849 33.828 27.102 1.00 48.57 H new ATOM 0 HD22 ASN B 160 -3.369 33.686 27.002 1.00 48.57 H new ATOM 2857 N GLN B 161 -0.667 29.188 28.321 1.00 39.48 N ATOM 2858 CA GLN B 161 0.455 28.297 27.991 1.00 37.25 C ATOM 2859 C GLN B 161 0.351 26.910 28.659 1.00 42.84 C ATOM 2860 O GLN B 161 0.793 25.913 28.064 1.00 45.24 O ATOM 2861 CB GLN B 161 1.782 28.972 28.265 1.00 37.35 C ATOM 2862 CG GLN B 161 2.028 30.098 27.263 1.00 37.09 C ATOM 2863 CD GLN B 161 3.311 30.828 27.488 1.00 37.11 C ATOM 2864 OE1 GLN B 161 4.188 30.380 28.233 1.00 38.00 O ATOM 2865 NE2 GLN B 161 3.449 31.990 26.822 1.00 40.16 N ATOM 0 H GLN B 161 -0.461 29.837 28.846 1.00 39.48 H new ATOM 0 HA GLN B 161 0.403 28.123 27.038 1.00 37.25 H new ATOM 0 HB2 GLN B 161 1.790 29.328 29.167 1.00 37.35 H new ATOM 0 HB3 GLN B 161 2.499 28.321 28.211 1.00 37.35 H new ATOM 0 HG2 GLN B 161 2.028 29.729 26.366 1.00 37.09 H new ATOM 0 HG3 GLN B 161 1.293 30.729 27.310 1.00 37.09 H new ATOM 0 HE21 GLN B 161 2.816 32.271 26.312 1.00 40.16 H new ATOM 0 HE22 GLN B 161 4.170 32.451 26.907 1.00 40.16 H new HETATM 2866 N MSE B 162 -0.245 26.851 29.847 1.00 39.53 N HETATM 2867 CA MSE B 162 -0.496 25.595 30.575 1.00 38.84 C HETATM 2868 C MSE B 162 -1.752 24.837 30.139 1.00 39.21 C HETATM 2869 O MSE B 162 -1.847 23.634 30.386 1.00 40.31 O HETATM 2870 CB MSE B 162 -0.512 25.858 32.093 1.00 36.40 C HETATM 2871 CG MSE B 162 0.876 26.316 32.580 1.00 37.40 C HETATM 2872 SE MSE B 162 0.776 26.833 34.464 0.75 47.40 SE HETATM 2873 CE MSE B 162 0.510 25.160 35.168 1.00 49.05 C HETATM 0 H MSE B 162 -0.522 27.549 30.265 1.00 39.53 H new HETATM 0 HA MSE B 162 0.240 25.007 30.345 1.00 38.84 H new HETATM 0 HB2 MSE B 162 -1.173 26.536 32.302 1.00 36.40 H new HETATM 0 HB3 MSE B 162 -0.775 25.051 32.563 1.00 36.40 H new HETATM 0 HG2 MSE B 162 1.521 25.601 32.466 1.00 37.40 H new HETATM 0 HG3 MSE B 162 1.185 27.065 32.046 1.00 37.40 H new HETATM 0 HE1 MSE B 162 0.434 25.223 36.133 1.00 49.05 H new HETATM 0 HE2 MSE B 162 -0.306 24.781 34.804 1.00 49.05 H new HETATM 0 HE3 MSE B 162 1.261 24.590 34.940 1.00 49.05 H new ATOM 2874 N CYS B 163 -2.710 25.512 29.503 1.00 39.91 N ATOM 2875 CA CYS B 163 -3.974 24.893 29.071 1.00 40.27 C ATOM 2876 C CYS B 163 -4.070 24.817 27.544 1.00 39.08 C ATOM 2877 O CYS B 163 -5.144 24.555 27.020 1.00 40.59 O ATOM 2878 CB CYS B 163 -5.140 25.725 29.607 1.00 40.59 C ATOM 2879 SG CYS B 163 -5.255 25.707 31.398 1.00 43.69 S ATOM 0 H CYS B 163 -2.648 26.347 29.307 1.00 39.91 H new ATOM 0 HA CYS B 163 -4.007 23.989 29.420 1.00 40.27 H new ATOM 0 HB2 CYS B 163 -5.042 26.641 29.304 1.00 40.59 H new ATOM 0 HB3 CYS B 163 -5.969 25.389 29.232 1.00 40.59 H new ATOM 0 HG CYS B 163 -6.128 26.451 31.751 1.00 43.69 H new ATOM 2880 N ALA B 164 -2.951 25.039 26.849 1.00 38.81 N ATOM 2881 CA ALA B 164 -2.951 25.162 25.387 1.00 39.15 C ATOM 2882 C ALA B 164 -3.683 24.063 24.599 1.00 38.45 C ATOM 2883 O ALA B 164 -4.478 24.385 23.696 1.00 40.30 O ATOM 2884 CB ALA B 164 -1.555 25.367 24.877 1.00 37.77 C ATOM 0 H ALA B 164 -2.175 25.122 27.209 1.00 38.81 H new ATOM 0 HA ALA B 164 -3.491 25.949 25.216 1.00 39.15 H new ATOM 0 HB1 ALA B 164 -1.572 25.446 23.910 1.00 37.77 H new ATOM 0 HB2 ALA B 164 -1.186 26.178 25.261 1.00 37.77 H new ATOM 0 HB3 ALA B 164 -1.004 24.610 25.129 1.00 37.77 H new ATOM 2885 N PRO B 165 -3.449 22.762 24.927 1.00 39.74 N ATOM 2886 CA PRO B 165 -4.191 21.691 24.218 1.00 38.41 C ATOM 2887 C PRO B 165 -5.724 21.737 24.385 1.00 40.12 C ATOM 2888 O PRO B 165 -6.423 21.119 23.582 1.00 40.08 O ATOM 2889 CB PRO B 165 -3.645 20.403 24.839 1.00 39.31 C ATOM 2890 CG PRO B 165 -2.325 20.792 25.382 1.00 39.86 C ATOM 2891 CD PRO B 165 -2.518 22.178 25.904 1.00 38.19 C ATOM 0 HA PRO B 165 -4.059 21.778 23.261 1.00 38.41 H new ATOM 0 HB2 PRO B 165 -4.231 20.070 25.537 1.00 39.31 H new ATOM 0 HB3 PRO B 165 -3.562 19.698 24.178 1.00 39.31 H new ATOM 0 HG2 PRO B 165 -2.042 20.187 26.086 1.00 39.86 H new ATOM 0 HG3 PRO B 165 -1.641 20.767 24.695 1.00 39.86 H new ATOM 0 HD2 PRO B 165 -2.889 22.178 26.800 1.00 38.19 H new ATOM 0 HD3 PRO B 165 -1.682 22.668 25.943 1.00 38.19 H new ATOM 2892 N TYR B 166 -6.234 22.423 25.408 1.00 39.85 N ATOM 2893 CA TYR B 166 -7.693 22.561 25.646 1.00 39.82 C ATOM 2894 C TYR B 166 -8.280 23.859 25.085 1.00 42.31 C ATOM 2895 O TYR B 166 -9.476 24.113 25.265 1.00 44.41 O ATOM 2896 CB TYR B 166 -7.994 22.435 27.141 1.00 40.77 C ATOM 2897 CG TYR B 166 -7.659 21.039 27.625 1.00 37.53 C ATOM 2898 CD1 TYR B 166 -8.577 20.011 27.470 1.00 38.19 C ATOM 2899 CD2 TYR B 166 -6.393 20.731 28.143 1.00 38.24 C ATOM 2900 CE1 TYR B 166 -8.265 18.703 27.856 1.00 37.70 C ATOM 2901 CE2 TYR B 166 -6.071 19.436 28.525 1.00 37.43 C ATOM 2902 CZ TYR B 166 -7.006 18.423 28.385 1.00 40.39 C ATOM 2903 OH TYR B 166 -6.717 17.127 28.743 1.00 39.10 O ATOM 0 H TYR B 166 -5.749 22.827 25.992 1.00 39.85 H new ATOM 0 HA TYR B 166 -8.125 21.839 25.163 1.00 39.82 H new ATOM 0 HB2 TYR B 166 -7.479 23.089 27.638 1.00 40.77 H new ATOM 0 HB3 TYR B 166 -8.930 22.626 27.307 1.00 40.77 H new ATOM 0 HD1 TYR B 166 -9.412 20.194 27.104 1.00 38.19 H new ATOM 0 HD2 TYR B 166 -5.759 21.405 28.232 1.00 38.24 H new ATOM 0 HE1 TYR B 166 -8.894 18.024 27.760 1.00 37.70 H new ATOM 0 HE2 TYR B 166 -5.230 19.249 28.874 1.00 37.43 H new ATOM 0 HH TYR B 166 -5.884 17.022 28.767 1.00 39.10 H new ATOM 2904 N CYS B 167 -7.475 24.618 24.334 1.00 43.35 N ATOM 2905 CA ACYS B 167 -7.870 25.914 23.799 0.50 43.07 C ATOM 2906 CA BCYS B 167 -7.955 25.876 23.744 0.50 46.27 C ATOM 2907 C CYS B 167 -7.351 26.222 22.381 1.00 46.17 C ATOM 2908 O CYS B 167 -8.130 26.599 21.497 1.00 48.85 O ATOM 2909 CB ACYS B 167 -7.364 26.958 24.759 0.50 43.65 C ATOM 2910 CB BCYS B 167 -7.864 27.028 24.733 0.50 48.55 C ATOM 2911 SG ACYS B 167 -8.008 28.559 24.401 0.50 40.74 S ATOM 2912 SG BCYS B 167 -6.272 27.301 25.405 0.50 62.09 S ATOM 0 H ACYS B 167 -6.675 24.386 24.121 0.50 43.35 H new ATOM 0 H BCYS B 167 -6.656 24.426 24.155 0.50 43.35 H new ATOM 0 HA ACYS B 167 -8.836 25.910 23.712 0.50 46.27 H new ATOM 0 HA BCYS B 167 -8.893 25.723 23.551 0.50 46.27 H new ATOM 0 HB2ACYS B 167 -7.608 26.708 25.664 0.50 48.55 H new ATOM 0 HB2BCYS B 167 -8.157 27.840 24.291 0.50 48.55 H new ATOM 0 HB3ACYS B 167 -6.395 26.985 24.723 0.50 48.55 H new ATOM 0 HB3BCYS B 167 -8.483 26.862 25.461 0.50 48.55 H new ATOM 0 HG ACYS B 167 -8.337 28.610 23.248 0.50 62.09 H new ATOM 0 HG BCYS B 167 -5.734 28.193 24.810 0.50 62.09 H new ATOM 2913 N ALA B 168 -6.029 26.088 22.183 1.00 42.03 N ATOM 2914 CA ALA B 168 -5.382 26.348 20.857 1.00 42.90 C ATOM 2915 C ALA B 168 -5.810 25.208 19.931 1.00 44.57 C ATOM 2916 O ALA B 168 -5.400 24.050 20.126 1.00 43.29 O ATOM 2917 CB ALA B 168 -3.860 26.418 20.980 1.00 42.93 C ATOM 0 H ALA B 168 -5.479 25.847 22.799 1.00 42.03 H new ATOM 0 HA ALA B 168 -5.661 27.207 20.503 1.00 42.90 H new ATOM 0 HB1 ALA B 168 -3.472 26.587 20.107 1.00 42.93 H new ATOM 0 HB2 ALA B 168 -3.617 27.135 21.586 1.00 42.93 H new ATOM 0 HB3 ALA B 168 -3.524 25.576 21.325 1.00 42.93 H new ATOM 2918 N LEU B 169 -6.625 25.526 18.918 1.00 42.23 N ATOM 2919 CA LEU B 169 -7.295 24.466 18.126 1.00 42.67 C ATOM 2920 C LEU B 169 -6.405 23.531 17.328 1.00 40.19 C ATOM 2921 O LEU B 169 -6.740 22.356 17.186 1.00 41.08 O ATOM 2922 CB LEU B 169 -8.435 25.035 17.259 1.00 43.89 C ATOM 2923 CG LEU B 169 -9.577 25.745 17.994 1.00 48.17 C ATOM 2924 CD1 LEU B 169 -10.613 26.237 17.003 1.00 42.29 C ATOM 2925 CD2 LEU B 169 -10.218 24.871 19.034 1.00 42.67 C ATOM 0 H LEU B 169 -6.805 26.330 18.672 1.00 42.23 H new ATOM 0 HA LEU B 169 -7.664 23.888 18.812 1.00 42.67 H new ATOM 0 HB2 LEU B 169 -8.049 25.660 16.625 1.00 43.89 H new ATOM 0 HB3 LEU B 169 -8.815 24.306 16.743 1.00 43.89 H new ATOM 0 HG LEU B 169 -9.192 26.504 18.459 1.00 48.17 H new ATOM 0 HD11 LEU B 169 -11.330 26.684 17.479 1.00 42.29 H new ATOM 0 HD12 LEU B 169 -10.199 26.859 16.384 1.00 42.29 H new ATOM 0 HD13 LEU B 169 -10.974 25.483 16.510 1.00 42.29 H new ATOM 0 HD21 LEU B 169 -10.932 25.360 19.472 1.00 42.67 H new ATOM 0 HD22 LEU B 169 -10.582 24.078 18.611 1.00 42.67 H new ATOM 0 HD23 LEU B 169 -9.554 24.611 19.692 1.00 42.67 H new ATOM 2926 N ASN B 170 -5.256 24.020 16.854 1.00 38.87 N ATOM 2927 CA ASN B 170 -4.337 23.150 16.123 1.00 41.31 C ATOM 2928 C ASN B 170 -3.640 22.174 17.081 1.00 41.15 C ATOM 2929 O ASN B 170 -3.432 21.007 16.736 1.00 42.25 O ATOM 2930 CB ASN B 170 -3.342 23.965 15.316 1.00 41.05 C ATOM 2931 CG ASN B 170 -4.030 24.778 14.198 1.00 48.46 C ATOM 2932 OD1 ASN B 170 -4.794 24.238 13.395 1.00 51.51 O ATOM 2933 ND2 ASN B 170 -3.749 26.058 14.148 1.00 53.32 N ATOM 0 H ASN B 170 -4.996 24.835 16.943 1.00 38.87 H new ATOM 0 HA ASN B 170 -4.849 22.621 15.491 1.00 41.31 H new ATOM 0 HB2 ASN B 170 -2.865 24.569 15.907 1.00 41.05 H new ATOM 0 HB3 ASN B 170 -2.682 23.372 14.924 1.00 41.05 H new ATOM 0 HD21 ASN B 170 -4.102 26.552 13.539 1.00 53.32 H new ATOM 0 HD22 ASN B 170 -3.212 26.403 14.724 1.00 53.32 H new ATOM 2934 N THR B 171 -3.298 22.672 18.271 1.00 42.31 N ATOM 2935 CA THR B 171 -2.731 21.825 19.343 1.00 40.58 C ATOM 2936 C THR B 171 -3.785 20.843 19.857 1.00 40.02 C ATOM 2937 O THR B 171 -3.494 19.674 20.059 1.00 40.44 O ATOM 2938 CB THR B 171 -2.192 22.665 20.466 1.00 41.94 C ATOM 2939 OG1 THR B 171 -1.130 23.482 19.934 1.00 43.98 O ATOM 2940 CG2 THR B 171 -1.631 21.772 21.603 1.00 42.55 C ATOM 0 H THR B 171 -3.384 23.501 18.485 1.00 42.31 H new ATOM 0 HA THR B 171 -1.992 21.318 18.972 1.00 40.58 H new ATOM 0 HB THR B 171 -2.903 23.212 20.835 1.00 41.94 H new ATOM 0 HG1 THR B 171 -0.388 23.144 20.136 1.00 43.98 H new ATOM 0 HG21 THR B 171 -1.289 22.333 22.316 1.00 42.55 H new ATOM 0 HG22 THR B 171 -2.338 21.206 21.949 1.00 42.55 H new ATOM 0 HG23 THR B 171 -0.914 21.218 21.256 1.00 42.55 H new HETATM 2941 N MSE B 172 -5.006 21.319 20.066 1.00 39.23 N HETATM 2942 CA MSE B 172 -6.109 20.427 20.462 1.00 39.09 C HETATM 2943 C MSE B 172 -6.309 19.283 19.457 1.00 40.38 C HETATM 2944 O MSE B 172 -6.559 18.143 19.858 1.00 40.56 O HETATM 2945 CB MSE B 172 -7.428 21.194 20.628 1.00 40.83 C HETATM 2946 CG MSE B 172 -8.524 20.372 21.283 1.00 42.63 C HETATM 2947 SE MSE B 172 -10.280 21.186 21.029 0.75 38.47 SE HETATM 2948 CE MSE B 172 -10.059 22.712 22.100 1.00 39.82 C HETATM 0 H MSE B 172 -5.224 22.147 19.987 1.00 39.23 H new HETATM 0 HA MSE B 172 -5.856 20.048 21.318 1.00 39.09 H new HETATM 0 HB2 MSE B 172 -7.267 21.989 21.160 1.00 40.83 H new HETATM 0 HB3 MSE B 172 -7.733 21.492 19.757 1.00 40.83 H new HETATM 0 HG2 MSE B 172 -8.525 19.476 20.910 1.00 42.63 H new HETATM 0 HG3 MSE B 172 -8.341 20.284 22.232 1.00 42.63 H new HETATM 0 HE1 MSE B 172 -10.871 23.242 22.080 1.00 39.82 H new HETATM 0 HE2 MSE B 172 -9.871 22.443 23.013 1.00 39.82 H new HETATM 0 HE3 MSE B 172 -9.320 23.241 21.761 1.00 39.82 H new ATOM 2949 N THR B 173 -6.207 19.593 18.161 1.00 41.09 N ATOM 2950 CA THR B 173 -6.349 18.578 17.111 1.00 40.93 C ATOM 2951 C THR B 173 -5.282 17.489 17.234 1.00 40.33 C ATOM 2952 O THR B 173 -5.595 16.307 17.220 1.00 41.88 O ATOM 2953 CB THR B 173 -6.341 19.209 15.692 1.00 40.77 C ATOM 2954 OG1 THR B 173 -7.421 20.156 15.590 1.00 39.13 O ATOM 2955 CG2 THR B 173 -6.515 18.126 14.632 1.00 40.90 C ATOM 0 H THR B 173 -6.055 20.387 17.868 1.00 41.09 H new ATOM 0 HA THR B 173 -7.215 18.160 17.238 1.00 40.93 H new ATOM 0 HB THR B 173 -5.493 19.657 15.548 1.00 40.77 H new ATOM 0 HG1 THR B 173 -7.254 20.824 16.071 1.00 39.13 H new ATOM 0 HG21 THR B 173 -6.508 18.531 13.751 1.00 40.90 H new ATOM 0 HG22 THR B 173 -5.788 17.487 14.699 1.00 40.90 H new ATOM 0 HG23 THR B 173 -7.359 17.669 14.771 1.00 40.90 H new ATOM 2956 N THR B 174 -4.036 17.911 17.390 1.00 43.20 N ATOM 2957 CA THR B 174 -2.884 16.998 17.529 1.00 44.47 C ATOM 2958 C THR B 174 -2.998 16.102 18.773 1.00 43.45 C ATOM 2959 O THR B 174 -2.792 14.901 18.687 1.00 42.96 O ATOM 2960 CB THR B 174 -1.563 17.820 17.599 1.00 47.32 C ATOM 2961 OG1 THR B 174 -1.451 18.578 16.394 1.00 54.01 O ATOM 2962 CG2 THR B 174 -0.359 16.931 17.711 1.00 50.57 C ATOM 0 H THR B 174 -3.822 18.743 17.420 1.00 43.20 H new ATOM 0 HA THR B 174 -2.878 16.420 16.750 1.00 44.47 H new ATOM 0 HB THR B 174 -1.594 18.388 18.384 1.00 47.32 H new ATOM 0 HG1 THR B 174 -1.954 19.250 16.437 1.00 54.01 H new ATOM 0 HG21 THR B 174 0.443 17.475 17.752 1.00 50.57 H new ATOM 0 HG22 THR B 174 -0.427 16.394 18.516 1.00 50.57 H new ATOM 0 HG23 THR B 174 -0.314 16.348 16.937 1.00 50.57 H new ATOM 2963 N PHE B 175 -3.374 16.714 19.897 1.00 40.95 N ATOM 2964 CA PHE B 175 -3.497 16.027 21.199 1.00 40.11 C ATOM 2965 C PHE B 175 -4.811 15.287 21.425 1.00 38.85 C ATOM 2966 O PHE B 175 -4.891 14.530 22.394 1.00 39.65 O ATOM 2967 CB PHE B 175 -3.367 17.059 22.361 1.00 40.45 C ATOM 2968 CG PHE B 175 -1.952 17.417 22.728 1.00 40.07 C ATOM 2969 CD1 PHE B 175 -1.207 18.296 21.950 1.00 45.83 C ATOM 2970 CD2 PHE B 175 -1.374 16.901 23.898 1.00 43.13 C ATOM 2971 CE1 PHE B 175 0.103 18.628 22.294 1.00 43.25 C ATOM 2972 CE2 PHE B 175 -0.063 17.233 24.255 1.00 42.75 C ATOM 2973 CZ PHE B 175 0.675 18.105 23.453 1.00 43.58 C ATOM 0 H PHE B 175 -3.569 17.551 19.931 1.00 40.95 H new ATOM 0 HA PHE B 175 -2.784 15.369 21.187 1.00 40.11 H new ATOM 0 HB2 PHE B 175 -3.839 17.869 22.112 1.00 40.45 H new ATOM 0 HB3 PHE B 175 -3.811 16.702 23.146 1.00 40.45 H new ATOM 0 HD1 PHE B 175 -1.588 18.669 21.188 1.00 45.83 H new ATOM 0 HD2 PHE B 175 -1.868 16.332 24.442 1.00 43.13 H new ATOM 0 HE1 PHE B 175 0.596 19.199 21.750 1.00 43.25 H new ATOM 0 HE2 PHE B 175 0.316 16.874 25.025 1.00 42.75 H new ATOM 0 HZ PHE B 175 1.544 18.336 23.691 1.00 43.58 H new HETATM 2974 N MSE B 176 -5.795 15.461 20.534 1.00 40.57 N HETATM 2975 CA MSE B 176 -7.204 15.100 20.795 1.00 40.99 C HETATM 2976 C MSE B 176 -7.496 13.783 21.508 1.00 43.00 C HETATM 2977 O MSE B 176 -8.244 13.770 22.496 1.00 41.53 O HETATM 2978 CB MSE B 176 -8.054 15.167 19.529 1.00 40.65 C HETATM 2979 CG MSE B 176 -9.558 15.074 19.741 1.00 40.35 C HETATM 2980 SE MSE B 176 -10.367 16.560 20.649 0.75 39.22 SE HETATM 2981 CE MSE B 176 -10.438 17.877 19.168 1.00 41.76 C HETATM 0 H MSE B 176 -5.665 15.795 19.752 1.00 40.57 H new HETATM 0 HA MSE B 176 -7.448 15.785 21.437 1.00 40.99 H new HETATM 0 HB2 MSE B 176 -7.859 16.000 19.071 1.00 40.65 H new HETATM 0 HB3 MSE B 176 -7.782 14.448 18.938 1.00 40.65 H new HETATM 0 HG2 MSE B 176 -9.984 14.975 18.875 1.00 40.35 H new HETATM 0 HG3 MSE B 176 -9.747 14.267 20.245 1.00 40.35 H new HETATM 0 HE1 MSE B 176 -10.835 18.702 19.487 1.00 41.76 H new HETATM 0 HE2 MSE B 176 -9.539 18.054 18.848 1.00 41.76 H new HETATM 0 HE3 MSE B 176 -10.974 17.520 18.443 1.00 41.76 H new ATOM 2982 N GLU B 177 -6.882 12.711 21.019 1.00 43.02 N ATOM 2983 CA GLU B 177 -7.109 11.363 21.574 1.00 44.60 C ATOM 2984 C GLU B 177 -6.725 11.246 23.063 1.00 42.15 C ATOM 2985 O GLU B 177 -7.279 10.414 23.789 1.00 42.70 O ATOM 2986 CB GLU B 177 -6.323 10.311 20.770 1.00 47.33 C ATOM 2987 CG GLU B 177 -6.670 10.210 19.250 1.00 56.78 C ATOM 2988 CD GLU B 177 -7.959 9.478 18.932 1.00 70.47 C ATOM 2989 OE1 GLU B 177 -8.744 9.149 19.856 1.00 80.08 O ATOM 2990 OE2 GLU B 177 -8.184 9.232 17.722 1.00 75.53 O ATOM 0 H GLU B 177 -6.326 12.735 20.363 1.00 43.02 H new ATOM 0 HA GLU B 177 -8.063 11.202 21.504 1.00 44.60 H new ATOM 0 HB2 GLU B 177 -5.377 10.506 20.855 1.00 47.33 H new ATOM 0 HB3 GLU B 177 -6.472 9.443 21.176 1.00 47.33 H new ATOM 0 HG2 GLU B 177 -6.725 11.107 18.885 1.00 56.78 H new ATOM 0 HG3 GLU B 177 -5.940 9.763 18.795 1.00 56.78 H new ATOM 2991 N ARG B 178 -5.787 12.078 23.497 1.00 40.88 N ATOM 2992 CA ARG B 178 -5.242 12.071 24.864 1.00 40.92 C ATOM 2993 C ARG B 178 -5.832 13.116 25.824 1.00 38.90 C ATOM 2994 O ARG B 178 -5.463 13.151 26.998 1.00 38.63 O ATOM 2995 CB ARG B 178 -3.737 12.252 24.753 1.00 41.95 C ATOM 2996 CG ARG B 178 -3.051 11.026 24.134 1.00 48.86 C ATOM 2997 CD ARG B 178 -2.239 11.382 22.928 1.00 60.45 C ATOM 2998 NE ARG B 178 -1.282 12.468 23.118 1.00 62.58 N ATOM 2999 CZ ARG B 178 -0.705 13.154 22.124 1.00 58.46 C ATOM 3000 NH1 ARG B 178 -0.951 12.883 20.842 1.00 61.63 N ATOM 3001 NH2 ARG B 178 0.143 14.127 22.416 1.00 62.45 N ATOM 0 H ARG B 178 -5.435 12.682 22.996 1.00 40.88 H new ATOM 0 HA ARG B 178 -5.491 11.222 25.262 1.00 40.92 H new ATOM 0 HB2 ARG B 178 -3.546 13.035 24.213 1.00 41.95 H new ATOM 0 HB3 ARG B 178 -3.367 12.418 25.634 1.00 41.95 H new ATOM 0 HG2 ARG B 178 -2.478 10.609 24.796 1.00 48.86 H new ATOM 0 HG3 ARG B 178 -3.723 10.371 23.888 1.00 48.86 H new ATOM 0 HD2 ARG B 178 -1.756 10.593 22.637 1.00 60.45 H new ATOM 0 HD3 ARG B 178 -2.844 11.626 22.210 1.00 60.45 H new ATOM 0 HE ARG B 178 -1.075 12.682 23.925 1.00 62.58 H new ATOM 0 HH11 ARG B 178 -1.495 12.251 20.633 1.00 61.63 H new ATOM 0 HH12 ARG B 178 -0.566 13.341 20.224 1.00 61.63 H new ATOM 0 HH21 ARG B 178 0.318 14.313 23.237 1.00 62.45 H new ATOM 0 HH22 ARG B 178 0.519 14.574 21.785 1.00 62.45 H new ATOM 3002 N LEU B 179 -6.726 13.952 25.321 1.00 37.59 N ATOM 3003 CA LEU B 179 -7.360 14.990 26.122 1.00 38.35 C ATOM 3004 C LEU B 179 -8.582 14.441 26.864 1.00 39.92 C ATOM 3005 O LEU B 179 -9.267 13.504 26.400 1.00 41.66 O ATOM 3006 CB LEU B 179 -7.805 16.160 25.222 1.00 39.94 C ATOM 3007 CG LEU B 179 -6.733 16.857 24.390 1.00 41.18 C ATOM 3008 CD1 LEU B 179 -7.357 17.987 23.510 1.00 37.79 C ATOM 3009 CD2 LEU B 179 -5.592 17.383 25.270 1.00 39.46 C ATOM 0 H LEU B 179 -6.985 13.935 24.501 1.00 37.59 H new ATOM 0 HA LEU B 179 -6.710 15.302 26.770 1.00 38.35 H new ATOM 0 HB2 LEU B 179 -8.486 15.829 24.616 1.00 39.94 H new ATOM 0 HB3 LEU B 179 -8.227 16.827 25.786 1.00 39.94 H new ATOM 0 HG LEU B 179 -6.346 16.200 23.790 1.00 41.18 H new ATOM 0 HD11 LEU B 179 -6.659 18.416 22.991 1.00 37.79 H new ATOM 0 HD12 LEU B 179 -8.016 17.604 22.911 1.00 37.79 H new ATOM 0 HD13 LEU B 179 -7.784 18.644 24.082 1.00 37.79 H new ATOM 0 HD21 LEU B 179 -4.928 17.820 24.713 1.00 39.46 H new ATOM 0 HD22 LEU B 179 -5.945 18.020 25.911 1.00 39.46 H new ATOM 0 HD23 LEU B 179 -5.180 16.643 25.743 1.00 39.46 H new ATOM 3010 N SER B 180 -8.873 15.047 28.010 1.00 41.04 N ATOM 3011 CA SER B 180 -10.043 14.681 28.792 1.00 38.48 C ATOM 3012 C SER B 180 -10.374 15.764 29.805 1.00 40.51 C ATOM 3013 O SER B 180 -9.503 16.541 30.205 1.00 38.05 O ATOM 3014 CB SER B 180 -9.862 13.349 29.545 1.00 39.41 C ATOM 3015 OG SER B 180 -8.964 13.453 30.641 1.00 38.40 O ATOM 0 H SER B 180 -8.400 15.678 28.353 1.00 41.04 H new ATOM 0 HA SER B 180 -10.768 14.578 28.156 1.00 38.48 H new ATOM 0 HB2 SER B 180 -10.725 13.045 29.867 1.00 39.41 H new ATOM 0 HB3 SER B 180 -9.536 12.675 28.928 1.00 39.41 H new ATOM 0 HG SER B 180 -8.606 12.706 30.782 1.00 38.40 H new ATOM 3016 N GLU B 181 -11.632 15.774 30.228 1.00 39.97 N ATOM 3017 CA GLU B 181 -12.111 16.653 31.321 1.00 40.50 C ATOM 3018 C GLU B 181 -11.343 16.366 32.630 1.00 40.33 C ATOM 3019 O GLU B 181 -10.940 17.302 33.337 1.00 39.29 O ATOM 3020 CB GLU B 181 -13.619 16.490 31.483 1.00 41.31 C ATOM 3021 CG GLU B 181 -14.395 17.157 30.339 1.00 42.11 C ATOM 3022 CD GLU B 181 -15.762 16.569 30.104 1.00 52.42 C ATOM 3023 OE1 GLU B 181 -15.836 15.496 29.478 1.00 46.69 O ATOM 3024 OE2 GLU B 181 -16.772 17.191 30.500 1.00 49.18 O ATOM 0 H GLU B 181 -12.245 15.272 29.894 1.00 39.97 H new ATOM 0 HA GLU B 181 -11.935 17.580 31.095 1.00 40.50 H new ATOM 0 HB2 GLU B 181 -13.840 15.546 31.515 1.00 41.31 H new ATOM 0 HB3 GLU B 181 -13.896 16.875 32.329 1.00 41.31 H new ATOM 0 HG2 GLU B 181 -14.488 18.103 30.532 1.00 42.11 H new ATOM 0 HG3 GLU B 181 -13.876 17.084 29.523 1.00 42.11 H new ATOM 3025 N ASP B 182 -11.092 15.082 32.918 1.00 39.71 N ATOM 3026 CA ASP B 182 -10.320 14.689 34.115 1.00 38.06 C ATOM 3027 C ASP B 182 -8.933 15.334 34.131 1.00 37.50 C ATOM 3028 O ASP B 182 -8.488 15.840 35.167 1.00 39.71 O ATOM 3029 CB ASP B 182 -10.138 13.160 34.205 1.00 38.95 C ATOM 3030 CG ASP B 182 -11.391 12.422 34.638 1.00 45.97 C ATOM 3031 OD1 ASP B 182 -12.375 13.049 35.078 1.00 46.27 O ATOM 3032 OD2 ASP B 182 -11.393 11.176 34.525 1.00 46.07 O ATOM 0 H ASP B 182 -11.358 14.422 32.436 1.00 39.71 H new ATOM 0 HA ASP B 182 -10.835 15.001 34.876 1.00 38.06 H new ATOM 0 HB2 ASP B 182 -9.857 12.824 33.339 1.00 38.95 H new ATOM 0 HB3 ASP B 182 -9.424 12.963 34.831 1.00 38.95 H new ATOM 3033 N LYS B 183 -8.264 15.298 32.980 1.00 35.65 N ATOM 3034 CA LYS B 183 -6.913 15.868 32.852 1.00 36.47 C ATOM 3035 C LYS B 183 -6.947 17.386 32.964 1.00 37.41 C ATOM 3036 O LYS B 183 -6.098 17.977 33.647 1.00 36.68 O ATOM 3037 CB LYS B 183 -6.221 15.401 31.570 1.00 36.78 C ATOM 3038 CG LYS B 183 -5.760 13.953 31.612 1.00 37.95 C ATOM 3039 CD LYS B 183 -5.116 13.538 30.318 1.00 39.15 C ATOM 3040 CE LYS B 183 -4.714 12.063 30.319 1.00 42.28 C ATOM 3041 NZ LYS B 183 -4.184 11.583 28.992 1.00 42.68 N ATOM 0 H LYS B 183 -8.572 14.948 32.257 1.00 35.65 H new ATOM 0 HA LYS B 183 -6.380 15.536 33.591 1.00 36.47 H new ATOM 0 HB2 LYS B 183 -6.830 15.516 30.824 1.00 36.78 H new ATOM 0 HB3 LYS B 183 -5.454 15.971 31.401 1.00 36.78 H new ATOM 0 HG2 LYS B 183 -5.130 13.834 32.340 1.00 37.95 H new ATOM 0 HG3 LYS B 183 -6.518 13.377 31.796 1.00 37.95 H new ATOM 0 HD2 LYS B 183 -5.730 13.704 29.586 1.00 39.15 H new ATOM 0 HD3 LYS B 183 -4.331 14.085 30.159 1.00 39.15 H new ATOM 0 HE2 LYS B 183 -4.038 11.920 31.000 1.00 42.28 H new ATOM 0 HE3 LYS B 183 -5.483 11.526 30.565 1.00 42.28 H new ATOM 0 HZ1 LYS B 183 -4.172 10.693 28.981 1.00 42.68 H new ATOM 0 HZ2 LYS B 183 -4.708 11.881 28.337 1.00 42.68 H new ATOM 0 HZ3 LYS B 183 -3.358 11.891 28.873 1.00 42.68 H new ATOM 3042 N LEU B 184 -7.933 18.024 32.328 1.00 36.55 N ATOM 3043 CA LEU B 184 -8.063 19.478 32.413 1.00 36.06 C ATOM 3044 C LEU B 184 -8.320 19.915 33.866 1.00 36.05 C ATOM 3045 O LEU B 184 -7.801 20.950 34.292 1.00 36.82 O ATOM 3046 CB LEU B 184 -9.175 19.988 31.499 1.00 37.94 C ATOM 3047 CG LEU B 184 -9.448 21.495 31.485 1.00 36.19 C ATOM 3048 CD1 LEU B 184 -8.185 22.348 31.166 1.00 38.44 C ATOM 3049 CD2 LEU B 184 -10.651 21.727 30.519 1.00 39.82 C ATOM 0 H LEU B 184 -8.531 17.636 31.847 1.00 36.55 H new ATOM 0 HA LEU B 184 -7.227 19.868 32.115 1.00 36.06 H new ATOM 0 HB2 LEU B 184 -8.966 19.714 30.592 1.00 37.94 H new ATOM 0 HB3 LEU B 184 -9.997 19.538 31.749 1.00 37.94 H new ATOM 0 HG LEU B 184 -9.686 21.808 32.372 1.00 36.19 H new ATOM 0 HD11 LEU B 184 -8.420 23.289 31.171 1.00 38.44 H new ATOM 0 HD12 LEU B 184 -7.504 22.181 31.836 1.00 38.44 H new ATOM 0 HD13 LEU B 184 -7.843 22.106 30.291 1.00 38.44 H new ATOM 0 HD21 LEU B 184 -10.858 22.674 30.481 1.00 39.82 H new ATOM 0 HD22 LEU B 184 -10.419 21.411 29.632 1.00 39.82 H new ATOM 0 HD23 LEU B 184 -11.425 21.240 30.843 1.00 39.82 H new ATOM 3050 N ALA B 185 -9.157 19.151 34.589 1.00 37.41 N ATOM 3051 CA ALA B 185 -9.409 19.422 36.019 1.00 37.68 C ATOM 3052 C ALA B 185 -8.100 19.375 36.829 1.00 37.73 C ATOM 3053 O ALA B 185 -7.862 20.232 37.677 1.00 38.45 O ATOM 3054 CB ALA B 185 -10.453 18.457 36.601 1.00 37.97 C ATOM 0 H ALA B 185 -9.586 18.476 34.273 1.00 37.41 H new ATOM 0 HA ALA B 185 -9.772 20.319 36.086 1.00 37.68 H new ATOM 0 HB1 ALA B 185 -10.595 18.661 37.539 1.00 37.97 H new ATOM 0 HB2 ALA B 185 -11.289 18.555 36.119 1.00 37.97 H new ATOM 0 HB3 ALA B 185 -10.135 17.545 36.514 1.00 37.97 H new ATOM 3055 N ARG B 186 -7.244 18.394 36.543 1.00 38.21 N ATOM 3056 CA ARG B 186 -5.937 18.288 37.216 1.00 38.89 C ATOM 3057 C ARG B 186 -5.046 19.501 36.902 1.00 39.34 C ATOM 3058 O ARG B 186 -4.344 19.991 37.783 1.00 38.38 O ATOM 3059 CB ARG B 186 -5.191 17.048 36.759 1.00 40.42 C ATOM 3060 CG ARG B 186 -5.795 15.772 37.218 1.00 41.44 C ATOM 3061 CD ARG B 186 -5.247 15.319 38.549 1.00 42.76 C ATOM 3062 NE ARG B 186 -5.829 14.030 38.946 1.00 40.45 N ATOM 3063 CZ ARG B 186 -6.794 13.841 39.854 1.00 45.70 C ATOM 3064 NH1 ARG B 186 -7.250 14.816 40.631 1.00 43.20 N ATOM 3065 NH2 ARG B 186 -7.234 12.607 40.063 1.00 47.77 N ATOM 0 H ARG B 186 -7.396 17.777 35.963 1.00 38.21 H new ATOM 0 HA ARG B 186 -6.119 18.245 38.168 1.00 38.89 H new ATOM 0 HB2 ARG B 186 -5.151 17.045 35.790 1.00 40.42 H new ATOM 0 HB3 ARG B 186 -4.277 17.096 37.080 1.00 40.42 H new ATOM 0 HG2 ARG B 186 -6.757 15.879 37.287 1.00 41.44 H new ATOM 0 HG3 ARG B 186 -5.633 15.084 36.554 1.00 41.44 H new ATOM 0 HD2 ARG B 186 -4.282 15.239 38.495 1.00 42.76 H new ATOM 0 HD3 ARG B 186 -5.439 15.987 39.226 1.00 42.76 H new ATOM 0 HE ARG B 186 -5.519 13.328 38.557 1.00 40.45 H new ATOM 0 HH11 ARG B 186 -6.924 15.609 40.562 1.00 43.20 H new ATOM 0 HH12 ARG B 186 -7.872 14.655 41.203 1.00 43.20 H new ATOM 0 HH21 ARG B 186 -6.900 11.950 39.619 1.00 47.77 H new ATOM 0 HH22 ARG B 186 -7.854 12.464 40.642 1.00 47.77 H new ATOM 3066 N ILE B 187 -5.084 19.961 35.646 1.00 37.39 N ATOM 3067 CA ILE B 187 -4.279 21.117 35.209 1.00 37.46 C ATOM 3068 C ILE B 187 -4.754 22.378 35.932 1.00 37.98 C ATOM 3069 O ILE B 187 -3.952 23.124 36.455 1.00 36.82 O ATOM 3070 CB ILE B 187 -4.330 21.312 33.666 1.00 37.73 C ATOM 3071 CG1 ILE B 187 -3.678 20.112 32.962 1.00 38.30 C ATOM 3072 CG2 ILE B 187 -3.619 22.632 33.246 1.00 38.10 C ATOM 3073 CD1 ILE B 187 -3.819 20.061 31.435 1.00 36.78 C ATOM 0 H ILE B 187 -5.572 19.617 35.027 1.00 37.39 H new ATOM 0 HA ILE B 187 -3.353 20.944 35.441 1.00 37.46 H new ATOM 0 HB ILE B 187 -5.260 21.372 33.398 1.00 37.73 H new ATOM 0 HG12 ILE B 187 -2.733 20.107 33.181 1.00 38.30 H new ATOM 0 HG13 ILE B 187 -4.059 19.299 33.330 1.00 38.30 H new ATOM 0 HG21 ILE B 187 -3.664 22.731 32.282 1.00 38.10 H new ATOM 0 HG22 ILE B 187 -4.059 23.386 33.669 1.00 38.10 H new ATOM 0 HG23 ILE B 187 -2.690 22.602 33.525 1.00 38.10 H new ATOM 0 HD11 ILE B 187 -3.374 19.269 31.095 1.00 36.78 H new ATOM 0 HD12 ILE B 187 -4.759 20.031 31.197 1.00 36.78 H new ATOM 0 HD13 ILE B 187 -3.413 20.851 31.046 1.00 36.78 H new ATOM 3074 N VAL B 188 -6.061 22.613 35.963 1.00 36.19 N ATOM 3075 CA VAL B 188 -6.597 23.804 36.641 1.00 37.64 C ATOM 3076 C VAL B 188 -6.272 23.801 38.135 1.00 37.56 C ATOM 3077 O VAL B 188 -5.903 24.840 38.678 1.00 38.07 O ATOM 3078 CB VAL B 188 -8.119 24.013 36.383 1.00 37.48 C ATOM 3079 CG1 VAL B 188 -8.665 25.144 37.245 1.00 35.60 C ATOM 3080 CG2 VAL B 188 -8.342 24.296 34.880 1.00 35.23 C ATOM 0 H VAL B 188 -6.654 22.105 35.603 1.00 36.19 H new ATOM 0 HA VAL B 188 -6.146 24.567 36.246 1.00 37.64 H new ATOM 0 HB VAL B 188 -8.601 23.208 36.628 1.00 37.48 H new ATOM 0 HG11 VAL B 188 -9.612 25.257 37.069 1.00 35.60 H new ATOM 0 HG12 VAL B 188 -8.534 24.929 38.182 1.00 35.60 H new ATOM 0 HG13 VAL B 188 -8.197 25.967 37.034 1.00 35.60 H new ATOM 0 HG21 VAL B 188 -9.288 24.427 34.712 1.00 35.23 H new ATOM 0 HG22 VAL B 188 -7.855 25.095 34.625 1.00 35.23 H new ATOM 0 HG23 VAL B 188 -8.023 23.543 34.358 1.00 35.23 H new ATOM 3081 N ASP B 189 -6.375 22.638 38.792 1.00 38.78 N ATOM 3082 CA ASP B 189 -5.961 22.535 40.205 1.00 38.37 C ATOM 3083 C ASP B 189 -4.472 22.881 40.380 1.00 37.12 C ATOM 3084 O ASP B 189 -4.105 23.573 41.324 1.00 37.53 O ATOM 3085 CB ASP B 189 -6.207 21.130 40.791 1.00 39.60 C ATOM 3086 CG ASP B 189 -7.668 20.862 41.195 1.00 42.52 C ATOM 3087 OD1 ASP B 189 -8.467 21.792 41.464 1.00 39.93 O ATOM 3088 OD2 ASP B 189 -7.997 19.650 41.301 1.00 39.72 O ATOM 0 H ASP B 189 -6.675 21.909 38.448 1.00 38.78 H new ATOM 0 HA ASP B 189 -6.509 23.175 40.686 1.00 38.37 H new ATOM 0 HB2 ASP B 189 -5.936 20.466 40.138 1.00 39.60 H new ATOM 0 HB3 ASP B 189 -5.640 21.011 41.569 1.00 39.60 H new ATOM 3089 N ALA B 190 -3.646 22.398 39.459 1.00 37.66 N ATOM 3090 CA ALA B 190 -2.199 22.674 39.468 1.00 37.36 C ATOM 3091 C ALA B 190 -1.906 24.158 39.238 1.00 37.90 C ATOM 3092 O ALA B 190 -0.993 24.722 39.856 1.00 39.16 O ATOM 3093 CB ALA B 190 -1.467 21.806 38.443 1.00 36.06 C ATOM 0 H ALA B 190 -3.902 21.899 38.807 1.00 37.66 H new ATOM 0 HA ALA B 190 -1.866 22.445 40.350 1.00 37.36 H new ATOM 0 HB1 ALA B 190 -0.518 22.006 38.468 1.00 36.06 H new ATOM 0 HB2 ALA B 190 -1.605 20.869 38.654 1.00 36.06 H new ATOM 0 HB3 ALA B 190 -1.813 21.992 37.556 1.00 36.06 H new ATOM 3094 N VAL B 191 -2.665 24.784 38.339 1.00 37.40 N ATOM 3095 CA VAL B 191 -2.546 26.229 38.098 1.00 37.67 C ATOM 3096 C VAL B 191 -2.848 26.972 39.401 1.00 36.27 C ATOM 3097 O VAL B 191 -2.041 27.767 39.871 1.00 38.70 O ATOM 3098 CB VAL B 191 -3.462 26.704 36.937 1.00 40.36 C ATOM 3099 CG1 VAL B 191 -3.509 28.230 36.869 1.00 41.80 C ATOM 3100 CG2 VAL B 191 -3.030 26.111 35.596 1.00 40.48 C ATOM 0 H VAL B 191 -3.258 24.391 37.855 1.00 37.40 H new ATOM 0 HA VAL B 191 -1.639 26.429 37.818 1.00 37.67 H new ATOM 0 HB VAL B 191 -4.357 26.380 37.122 1.00 40.36 H new ATOM 0 HG11 VAL B 191 -4.085 28.504 36.139 1.00 41.80 H new ATOM 0 HG12 VAL B 191 -3.857 28.581 37.704 1.00 41.80 H new ATOM 0 HG13 VAL B 191 -2.615 28.575 36.721 1.00 41.80 H new ATOM 0 HG21 VAL B 191 -3.622 26.428 34.896 1.00 40.48 H new ATOM 0 HG22 VAL B 191 -2.121 26.385 35.399 1.00 40.48 H new ATOM 0 HG23 VAL B 191 -3.073 25.143 35.641 1.00 40.48 H new ATOM 3101 N PHE B 192 -4.021 26.711 39.985 1.00 39.49 N ATOM 3102 CA PHE B 192 -4.426 27.392 41.229 1.00 38.49 C ATOM 3103 C PHE B 192 -3.521 27.172 42.425 1.00 41.79 C ATOM 3104 O PHE B 192 -3.225 28.115 43.158 1.00 42.40 O ATOM 3105 CB PHE B 192 -5.871 27.064 41.599 1.00 41.50 C ATOM 3106 CG PHE B 192 -6.816 28.045 41.074 1.00 39.47 C ATOM 3107 CD1 PHE B 192 -7.118 28.061 39.720 1.00 43.16 C ATOM 3108 CD2 PHE B 192 -7.359 29.022 41.912 1.00 41.92 C ATOM 3109 CE1 PHE B 192 -7.980 29.030 39.218 1.00 38.36 C ATOM 3110 CE2 PHE B 192 -8.220 29.967 41.419 1.00 42.37 C ATOM 3111 CZ PHE B 192 -8.526 29.978 40.070 1.00 39.49 C ATOM 0 H PHE B 192 -4.596 26.147 39.682 1.00 39.49 H new ATOM 0 HA PHE B 192 -4.341 28.334 41.014 1.00 38.49 H new ATOM 0 HB2 PHE B 192 -6.098 26.185 41.258 1.00 41.50 H new ATOM 0 HB3 PHE B 192 -5.954 27.023 42.565 1.00 41.50 H new ATOM 0 HD1 PHE B 192 -6.746 27.427 39.151 1.00 43.16 H new ATOM 0 HD2 PHE B 192 -7.134 29.031 42.814 1.00 41.92 H new ATOM 0 HE1 PHE B 192 -8.190 29.042 38.312 1.00 38.36 H new ATOM 0 HE2 PHE B 192 -8.597 30.598 41.989 1.00 42.37 H new ATOM 0 HZ PHE B 192 -9.102 30.626 39.732 1.00 39.49 H new ATOM 3112 N ASP B 193 -3.077 25.939 42.617 1.00 39.42 N ATOM 3113 CA ASP B 193 -2.238 25.620 43.787 1.00 41.21 C ATOM 3114 C ASP B 193 -0.755 25.690 43.561 1.00 40.80 C ATOM 3115 O ASP B 193 -0.011 25.666 44.529 1.00 42.38 O ATOM 3116 CB ASP B 193 -2.631 24.268 44.362 1.00 41.98 C ATOM 3117 CG ASP B 193 -4.028 24.270 44.897 1.00 40.78 C ATOM 3118 OD1 ASP B 193 -4.462 25.275 45.470 1.00 41.18 O ATOM 3119 OD2 ASP B 193 -4.721 23.275 44.762 1.00 39.38 O ATOM 0 H ASP B 193 -3.241 25.275 42.096 1.00 39.42 H new ATOM 0 HA ASP B 193 -2.419 26.327 44.426 1.00 41.21 H new ATOM 0 HB2 ASP B 193 -2.550 23.589 43.674 1.00 41.98 H new ATOM 0 HB3 ASP B 193 -2.014 24.028 45.071 1.00 41.98 H new ATOM 3120 N GLY B 194 -0.323 25.810 42.303 1.00 40.42 N ATOM 3121 CA GLY B 194 1.083 25.812 41.953 1.00 40.72 C ATOM 3122 C GLY B 194 1.690 27.069 41.385 1.00 39.75 C ATOM 3123 O GLY B 194 2.888 27.214 41.455 1.00 38.83 O ATOM 0 H GLY B 194 -0.850 25.893 41.628 1.00 40.42 H new ATOM 0 HA2 GLY B 194 1.584 25.579 42.750 1.00 40.72 H new ATOM 0 HA3 GLY B 194 1.226 25.100 41.309 1.00 40.72 H new ATOM 3124 N LEU B 195 0.900 27.957 40.797 1.00 40.24 N ATOM 3125 CA LEU B 195 1.442 29.131 40.108 1.00 39.53 C ATOM 3126 C LEU B 195 1.538 30.365 41.006 1.00 40.33 C ATOM 3127 O LEU B 195 0.551 30.763 41.612 1.00 39.05 O ATOM 3128 CB LEU B 195 0.552 29.451 38.907 1.00 41.35 C ATOM 3129 CG LEU B 195 1.031 30.409 37.832 1.00 43.09 C ATOM 3130 CD1 LEU B 195 2.313 29.862 37.147 1.00 41.33 C ATOM 3131 CD2 LEU B 195 -0.122 30.572 36.808 1.00 42.01 C ATOM 0 H LEU B 195 0.042 27.902 40.783 1.00 40.24 H new ATOM 0 HA LEU B 195 2.346 28.912 39.832 1.00 39.53 H new ATOM 0 HB2 LEU B 195 0.346 28.610 38.470 1.00 41.35 H new ATOM 0 HB3 LEU B 195 -0.283 29.803 39.254 1.00 41.35 H new ATOM 0 HG LEU B 195 1.260 31.269 38.217 1.00 43.09 H new ATOM 0 HD11 LEU B 195 2.606 30.485 36.464 1.00 41.33 H new ATOM 0 HD12 LEU B 195 3.014 29.756 37.809 1.00 41.33 H new ATOM 0 HD13 LEU B 195 2.121 29.003 36.740 1.00 41.33 H new ATOM 0 HD21 LEU B 195 0.153 31.181 36.105 1.00 42.01 H new ATOM 0 HD22 LEU B 195 -0.337 29.708 36.422 1.00 42.01 H new ATOM 0 HD23 LEU B 195 -0.905 30.929 37.256 1.00 42.01 H new ATOM 3132 N SER B 196 2.727 30.951 41.079 1.00 39.21 N ATOM 3133 CA SER B 196 2.953 32.193 41.811 1.00 38.31 C ATOM 3134 C SER B 196 4.287 32.797 41.396 1.00 40.98 C ATOM 3135 O SER B 196 5.057 32.154 40.699 1.00 39.05 O ATOM 3136 CB SER B 196 2.952 31.965 43.328 1.00 39.69 C ATOM 3137 OG SER B 196 4.192 31.445 43.775 1.00 38.22 O ATOM 0 H SER B 196 3.433 30.636 40.702 1.00 39.21 H new ATOM 0 HA SER B 196 2.228 32.800 41.595 1.00 38.31 H new ATOM 0 HB2 SER B 196 2.768 32.802 43.782 1.00 39.69 H new ATOM 0 HB3 SER B 196 2.239 31.352 43.564 1.00 39.69 H new ATOM 0 HG SER B 196 4.115 31.181 44.569 1.00 38.22 H new ATOM 3138 N ALA B 197 4.575 34.005 41.894 1.00 40.60 N ATOM 3139 CA ALA B 197 5.839 34.705 41.617 1.00 40.70 C ATOM 3140 C ALA B 197 7.027 34.201 42.447 1.00 39.90 C ATOM 3141 O ALA B 197 8.147 34.664 42.234 1.00 43.52 O ATOM 3142 CB ALA B 197 5.685 36.236 41.798 1.00 40.91 C ATOM 0 H ALA B 197 4.040 34.444 42.405 1.00 40.60 H new ATOM 0 HA ALA B 197 6.041 34.503 40.690 1.00 40.70 H new ATOM 0 HB1 ALA B 197 6.531 36.671 41.610 1.00 40.91 H new ATOM 0 HB2 ALA B 197 5.008 36.568 41.187 1.00 40.91 H new ATOM 0 HB3 ALA B 197 5.419 36.429 42.711 1.00 40.91 H new ATOM 3143 N GLN B 198 6.806 33.291 43.398 1.00 40.74 N ATOM 3144 CA GLN B 198 7.878 32.771 44.238 1.00 41.18 C ATOM 3145 C GLN B 198 8.655 31.703 43.464 1.00 40.33 C ATOM 3146 O GLN B 198 8.067 30.704 43.048 1.00 41.43 O ATOM 3147 CB GLN B 198 7.300 32.165 45.522 1.00 42.49 C ATOM 3148 CG GLN B 198 8.340 31.687 46.558 1.00 46.30 C ATOM 3149 CD GLN B 198 7.783 30.658 47.566 1.00 49.14 C ATOM 3150 OE1 GLN B 198 6.568 30.416 47.650 1.00 56.23 O ATOM 3151 NE2 GLN B 198 8.690 30.037 48.325 1.00 61.67 N ATOM 0 H GLN B 198 6.031 32.961 43.571 1.00 40.74 H new ATOM 0 HA GLN B 198 8.474 33.497 44.479 1.00 41.18 H new ATOM 0 HB2 GLN B 198 6.727 32.825 45.943 1.00 42.49 H new ATOM 0 HB3 GLN B 198 6.737 31.413 45.281 1.00 42.49 H new ATOM 0 HG2 GLN B 198 9.094 31.295 46.091 1.00 46.30 H new ATOM 0 HG3 GLN B 198 8.677 32.455 47.045 1.00 46.30 H new ATOM 0 HE21 GLN B 198 9.524 30.228 48.241 1.00 61.67 H new ATOM 0 HE22 GLN B 198 8.440 29.446 48.897 1.00 61.67 H new ATOM 3152 N ASP B 199 9.963 31.914 43.293 1.00 39.90 N ATOM 3153 CA ASP B 199 10.847 30.941 42.643 1.00 39.67 C ATOM 3154 C ASP B 199 10.945 29.746 43.583 1.00 41.01 C ATOM 3155 O ASP B 199 11.210 29.924 44.773 1.00 38.78 O ATOM 3156 CB ASP B 199 12.255 31.510 42.395 1.00 40.46 C ATOM 3157 CG ASP B 199 12.267 32.703 41.440 1.00 43.61 C ATOM 3158 OD1 ASP B 199 11.279 32.942 40.720 1.00 38.51 O ATOM 3159 OD2 ASP B 199 13.289 33.410 41.399 1.00 51.33 O ATOM 0 H ASP B 199 10.364 32.629 43.552 1.00 39.90 H new ATOM 0 HA ASP B 199 10.484 30.701 41.776 1.00 39.67 H new ATOM 0 HB2 ASP B 199 12.642 31.779 43.243 1.00 40.46 H new ATOM 0 HB3 ASP B 199 12.821 30.810 42.034 1.00 40.46 H new ATOM 3160 N ARG B 200 10.684 28.545 43.062 1.00 40.72 N ATOM 3161 CA ARG B 200 10.682 27.304 43.864 1.00 39.16 C ATOM 3162 C ARG B 200 11.594 26.189 43.381 1.00 38.60 C ATOM 3163 O ARG B 200 11.425 25.034 43.759 1.00 39.51 O ATOM 3164 CB ARG B 200 9.243 26.863 44.092 1.00 38.87 C ATOM 3165 CG ARG B 200 8.619 27.669 45.204 1.00 40.61 C ATOM 3166 CD ARG B 200 7.153 27.618 45.236 1.00 39.06 C ATOM 3167 NE ARG B 200 6.549 28.442 44.187 1.00 37.86 N ATOM 3168 CZ ARG B 200 5.716 28.053 43.216 1.00 39.99 C ATOM 3169 NH1 ARG B 200 5.300 26.800 43.094 1.00 37.05 N ATOM 3170 NH2 ARG B 200 5.257 28.970 42.371 1.00 42.41 N ATOM 0 H ARG B 200 10.502 28.421 42.231 1.00 40.72 H new ATOM 0 HA ARG B 200 11.093 27.524 44.715 1.00 39.16 H new ATOM 0 HB2 ARG B 200 8.731 26.975 43.276 1.00 38.87 H new ATOM 0 HB3 ARG B 200 9.219 25.919 44.315 1.00 38.87 H new ATOM 0 HG2 ARG B 200 8.962 27.349 46.053 1.00 40.61 H new ATOM 0 HG3 ARG B 200 8.898 28.594 45.115 1.00 40.61 H new ATOM 0 HD2 ARG B 200 6.860 26.699 45.132 1.00 39.06 H new ATOM 0 HD3 ARG B 200 6.839 27.919 46.103 1.00 39.06 H new ATOM 0 HE ARG B 200 6.755 29.277 44.197 1.00 37.86 H new ATOM 0 HH11 ARG B 200 5.566 26.202 43.652 1.00 37.05 H new ATOM 0 HH12 ARG B 200 4.764 26.585 42.457 1.00 37.05 H new ATOM 0 HH21 ARG B 200 5.497 29.792 42.456 1.00 42.41 H new ATOM 0 HH22 ARG B 200 4.720 28.742 41.739 1.00 42.41 H new ATOM 3171 N GLY B 201 12.592 26.552 42.582 1.00 37.26 N ATOM 3172 CA GLY B 201 13.661 25.641 42.228 1.00 38.15 C ATOM 3173 C GLY B 201 13.750 25.106 40.832 1.00 35.62 C ATOM 3174 O GLY B 201 14.643 24.314 40.561 1.00 33.98 O ATOM 0 H GLY B 201 12.664 27.334 42.232 1.00 37.26 H new ATOM 0 HA2 GLY B 201 14.499 26.090 42.420 1.00 38.15 H new ATOM 0 HA3 GLY B 201 13.603 24.880 42.827 1.00 38.15 H new ATOM 3175 N ALA B 202 12.843 25.505 39.953 1.00 34.28 N ATOM 3176 CA ALA B 202 12.888 25.046 38.567 1.00 36.23 C ATOM 3177 C ALA B 202 14.168 25.475 37.867 1.00 38.54 C ATOM 3178 O ALA B 202 14.764 24.680 37.147 1.00 36.26 O ATOM 3179 CB ALA B 202 11.711 25.570 37.795 1.00 33.46 C ATOM 0 H ALA B 202 12.194 26.039 40.134 1.00 34.28 H new ATOM 0 HA ALA B 202 12.860 24.077 38.593 1.00 36.23 H new ATOM 0 HB1 ALA B 202 11.759 25.255 36.879 1.00 33.46 H new ATOM 0 HB2 ALA B 202 10.890 25.254 38.203 1.00 33.46 H new ATOM 0 HB3 ALA B 202 11.724 26.540 37.804 1.00 33.46 H new ATOM 3180 N ARG B 203 14.613 26.707 38.115 1.00 44.86 N ATOM 3181 CA AARG B 203 15.786 27.261 37.418 0.50 47.47 C ATOM 3182 CA BARG B 203 15.774 27.258 37.394 0.50 46.53 C ATOM 3183 C ARG B 203 17.089 27.291 38.190 1.00 48.71 C ATOM 3184 O ARG B 203 18.171 27.295 37.583 1.00 48.67 O ATOM 3185 CB AARG B 203 15.429 28.628 36.904 0.50 48.88 C ATOM 3186 CB BARG B 203 15.381 28.611 36.774 0.50 47.23 C ATOM 3187 CG AARG B 203 16.509 29.273 36.057 0.50 50.55 C ATOM 3188 CG BARG B 203 16.103 28.909 35.472 0.50 43.19 C ATOM 3189 CD AARG B 203 15.901 30.207 35.101 0.50 50.68 C ATOM 3190 CD BARG B 203 15.511 30.091 34.740 0.50 38.10 C ATOM 3191 NE AARG B 203 14.919 31.062 35.765 0.50 44.82 N ATOM 3192 NE BARG B 203 16.432 30.630 33.728 0.50 34.53 N ATOM 3193 CZ AARG B 203 14.117 31.898 35.134 0.50 41.85 C ATOM 3194 CZ BARG B 203 16.211 31.733 33.012 0.50 31.32 C ATOM 3195 NH1AARG B 203 14.207 32.031 33.807 0.50 43.56 N ATOM 3196 NH1BARG B 203 17.108 32.115 32.120 0.50 28.02 N ATOM 3197 NH2AARG B 203 13.246 32.608 35.855 0.50 35.07 N ATOM 3198 NH2BARG B 203 15.117 32.474 33.183 0.50 35.43 N ATOM 0 H AARG B 203 14.252 27.242 38.683 0.50 44.86 H new ATOM 0 H BARG B 203 14.263 27.240 38.692 0.50 44.86 H new ATOM 0 HA AARG B 203 15.981 26.640 36.698 0.50 46.53 H new ATOM 0 HA BARG B 203 15.995 26.638 36.682 0.50 46.53 H new ATOM 0 HB2AARG B 203 14.616 28.563 36.379 0.50 47.23 H new ATOM 0 HB2BARG B 203 14.424 28.621 36.615 0.50 47.23 H new ATOM 0 HB3AARG B 203 15.235 29.206 37.658 0.50 47.23 H new ATOM 0 HB3BARG B 203 15.570 29.318 37.410 0.50 47.23 H new ATOM 0 HG2AARG B 203 17.139 29.743 36.625 0.50 43.19 H new ATOM 0 HG2BARG B 203 17.039 29.083 35.657 0.50 43.19 H new ATOM 0 HG3AARG B 203 17.009 28.591 35.582 0.50 43.19 H new ATOM 0 HG3BARG B 203 16.067 28.127 34.899 0.50 43.19 H new ATOM 0 HD2AARG B 203 16.591 30.755 34.694 0.50 38.10 H new ATOM 0 HD2BARG B 203 14.682 29.824 34.312 0.50 38.10 H new ATOM 0 HD3AARG B 203 15.473 29.711 34.385 0.50 38.10 H new ATOM 0 HD3BARG B 203 15.289 30.787 35.378 0.50 38.10 H new ATOM 0 HE AARG B 203 14.860 31.017 36.622 0.50 34.53 H new ATOM 0 HE BARG B 203 17.165 30.203 33.588 0.50 34.53 H new ATOM 0 HH11AARG B 203 14.786 31.572 33.367 0.50 28.02 H new ATOM 0 HH11BARG B 203 17.825 31.654 32.006 0.50 28.02 H new ATOM 0 HH12AARG B 203 13.685 32.575 33.393 0.50 28.02 H new ATOM 0 HH12BARG B 203 16.975 32.825 31.653 0.50 28.02 H new ATOM 0 HH21AARG B 203 13.218 32.514 36.709 0.50 35.43 H new ATOM 0 HH21BARG B 203 14.530 32.245 33.768 0.50 35.43 H new ATOM 0 HH22AARG B 203 12.713 33.159 35.465 0.50 35.43 H new ATOM 0 HH22BARG B 203 14.998 33.181 32.708 0.50 35.43 H new ATOM 3199 N SER B 204 17.027 27.306 39.515 1.00 51.06 N ATOM 3200 CA SER B 204 18.278 27.259 40.293 1.00 55.55 C ATOM 3201 C SER B 204 18.089 26.609 41.655 1.00 57.56 C ATOM 3202 O SER B 204 16.977 26.550 42.170 1.00 55.00 O ATOM 3203 CB SER B 204 18.956 28.638 40.399 1.00 55.88 C ATOM 3204 OG SER B 204 18.198 29.546 41.163 1.00 59.82 O ATOM 0 H SER B 204 16.303 27.342 39.978 1.00 51.06 H new ATOM 0 HA SER B 204 18.885 26.689 39.795 1.00 55.55 H new ATOM 0 HB2 SER B 204 19.834 28.535 40.799 1.00 55.88 H new ATOM 0 HB3 SER B 204 19.090 29.000 39.509 1.00 55.88 H new ATOM 0 HG SER B 204 18.598 30.284 41.200 1.00 59.82 H new ATOM 3205 N LEU B 205 19.196 26.106 42.211 1.00 61.76 N ATOM 3206 CA LEU B 205 19.211 25.437 43.523 1.00 65.34 C ATOM 3207 C LEU B 205 18.734 26.345 44.668 1.00 68.46 C ATOM 3208 O LEU B 205 18.194 25.843 45.661 1.00 70.49 O ATOM 3209 CB LEU B 205 20.610 24.871 43.829 1.00 65.44 C ATOM 0 H LEU B 205 19.968 26.143 41.835 1.00 61.76 H new ATOM 0 HA LEU B 205 18.576 24.706 43.466 1.00 65.34 H new ATOM 3210 N THR B 206 18.939 27.664 44.517 1.00 71.27 N ATOM 3211 CA THR B 206 18.500 28.696 45.482 1.00 72.80 C ATOM 3212 C THR B 206 16.990 28.634 45.768 1.00 73.09 C ATOM 3213 O THR B 206 16.572 28.801 46.926 1.00 73.63 O ATOM 3214 CB THR B 206 18.852 30.131 44.981 1.00 72.94 C ATOM 3215 OG1 THR B 206 20.239 30.190 44.623 1.00 75.61 O ATOM 3216 CG2 THR B 206 18.549 31.196 46.054 1.00 74.25 C ATOM 0 H THR B 206 19.347 27.993 43.835 1.00 71.27 H new ATOM 0 HA THR B 206 18.979 28.506 46.304 1.00 72.80 H new ATOM 0 HB THR B 206 18.301 30.321 44.206 1.00 72.94 H new ATOM 0 HG1 THR B 206 20.426 30.963 44.352 1.00 75.61 H new ATOM 0 HG21 THR B 206 18.778 32.074 45.712 1.00 74.25 H new ATOM 0 HG22 THR B 206 17.605 31.172 46.276 1.00 74.25 H new ATOM 0 HG23 THR B 206 19.073 31.012 46.849 1.00 74.25 H new ATOM 3217 N GLY B 207 16.193 28.401 44.717 1.00 72.20 N ATOM 3218 CA GLY B 207 14.739 28.272 44.840 1.00 71.08 C ATOM 3219 C GLY B 207 14.270 27.033 45.597 1.00 71.15 C ATOM 3220 O GLY B 207 13.222 27.079 46.247 1.00 70.00 O ATOM 0 H GLY B 207 16.484 28.314 43.912 1.00 72.20 H new ATOM 0 HA2 GLY B 207 14.394 29.060 45.288 1.00 71.08 H new ATOM 0 HA3 GLY B 207 14.351 28.259 43.951 1.00 71.08 H new ATOM 3221 N LEU B 208 15.034 25.933 45.513 1.00 72.58 N ATOM 3222 CA LEU B 208 14.691 24.661 46.187 1.00 74.35 C ATOM 3223 C LEU B 208 14.848 24.770 47.706 1.00 76.05 C ATOM 3224 O LEU B 208 13.885 25.075 48.416 1.00 77.84 O ATOM 3225 CB LEU B 208 15.553 23.499 45.665 1.00 74.70 C ATOM 3226 CG LEU B 208 15.426 23.047 44.196 1.00 75.70 C ATOM 3227 CD1 LEU B 208 16.606 22.179 43.802 1.00 72.24 C ATOM 3228 CD2 LEU B 208 14.096 22.318 43.925 1.00 67.08 C ATOM 0 H LEU B 208 15.767 25.901 45.064 1.00 72.58 H new ATOM 0 HA LEU B 208 13.761 24.479 45.982 1.00 74.35 H new ATOM 0 HB2 LEU B 208 16.481 23.738 45.815 1.00 74.70 H new ATOM 0 HB3 LEU B 208 15.366 22.727 46.222 1.00 74.70 H new ATOM 0 HG LEU B 208 15.429 23.846 43.647 1.00 75.70 H new ATOM 0 HD11 LEU B 208 16.511 21.904 42.877 1.00 72.24 H new ATOM 0 HD12 LEU B 208 17.428 22.683 43.906 1.00 72.24 H new ATOM 0 HD13 LEU B 208 16.635 21.394 44.371 1.00 72.24 H new ATOM 0 HD21 LEU B 208 14.057 22.052 42.993 1.00 67.08 H new ATOM 0 HD22 LEU B 208 14.038 21.531 44.489 1.00 67.08 H new ATOM 0 HD23 LEU B 208 13.355 22.912 44.122 1.00 67.08 H new TER 3229 LEU B 208 HETATM 3230 CL CL A 212 0.548 33.142 25.760 1.00 35.00 CL HETATM 3231 CL CL A 213 -0.621 13.978 26.208 1.00 34.76 CL HETATM 3232 C1 EDO A 214 16.423 10.790 35.321 1.00 54.49 C HETATM 3233 O1 EDO A 214 17.754 11.275 35.395 1.00 49.16 O HETATM 3234 C2 EDO A 214 16.193 10.003 36.591 1.00 56.96 C HETATM 3235 O2 EDO A 214 15.917 10.898 37.654 1.00 55.39 O HETATM 0 HO2 EDO A 214 16.403 10.710 38.313 1.00 55.39 H new HETATM 0 HO1 EDO A 214 18.139 11.152 34.659 1.00 49.16 H new HETATM 0 H22 EDO A 214 15.453 9.387 36.473 1.00 56.96 H new HETATM 0 H21 EDO A 214 16.976 9.469 36.799 1.00 56.96 H new HETATM 0 H12 EDO A 214 15.791 11.522 35.247 1.00 54.49 H new HETATM 0 H11 EDO A 214 16.301 10.230 34.539 1.00 54.49 H new HETATM 3236 C1 EDO A 215 15.268 1.039 31.879 1.00 62.85 C HETATM 3237 O1 EDO A 215 15.622 2.423 31.991 1.00 66.54 O HETATM 3238 C2 EDO A 215 16.435 0.175 32.298 1.00 65.30 C HETATM 3239 O2 EDO A 215 15.890 -1.028 32.845 1.00 57.04 O HETATM 0 HO2 EDO A 215 15.428 -0.844 33.522 1.00 57.04 H new HETATM 0 HO1 EDO A 215 14.971 2.899 31.756 1.00 66.54 H new HETATM 0 H22 EDO A 215 17.006 -0.021 31.539 1.00 65.30 H new HETATM 0 H21 EDO A 215 16.983 0.633 32.955 1.00 65.30 H new HETATM 0 H12 EDO A 215 14.497 0.848 32.436 1.00 62.85 H new HETATM 0 H11 EDO A 215 15.015 0.834 30.965 1.00 62.85 H new HETATM 3240 C1 EDO A 216 6.980 15.828 22.284 1.00 68.92 C HETATM 3241 O1 EDO A 216 6.233 15.611 23.488 1.00 70.11 O HETATM 3242 C2 EDO A 216 8.380 15.245 22.456 1.00 66.59 C HETATM 3243 O2 EDO A 216 9.393 16.202 22.181 1.00 63.67 O HETATM 0 HO2 EDO A 216 9.248 16.899 22.626 1.00 63.67 H new HETATM 0 HO1 EDO A 216 6.426 16.206 24.049 1.00 70.11 H new HETATM 0 H22 EDO A 216 8.484 14.917 23.363 1.00 66.59 H new HETATM 0 H21 EDO A 216 8.487 14.483 21.865 1.00 66.59 H new HETATM 0 H12 EDO A 216 6.533 15.409 21.532 1.00 68.92 H new HETATM 0 H11 EDO A 216 7.034 16.777 22.089 1.00 68.92 H new HETATM 3244 C1 EDO A 217 2.443 38.882 27.702 1.00 63.05 C HETATM 3245 O1 EDO A 217 2.579 37.613 27.046 1.00 63.74 O HETATM 3246 C2 EDO A 217 2.322 38.725 29.212 1.00 56.94 C HETATM 3247 O2 EDO A 217 3.499 38.142 29.795 1.00 45.96 O HETATM 0 HO2 EDO A 217 3.595 38.428 30.579 1.00 45.96 H new HETATM 0 HO1 EDO A 217 2.642 37.731 26.217 1.00 63.74 H new HETATM 0 H22 EDO A 217 2.161 39.593 29.614 1.00 56.94 H new HETATM 0 H21 EDO A 217 1.553 38.170 29.417 1.00 56.94 H new HETATM 0 H12 EDO A 217 3.210 39.438 27.495 1.00 63.05 H new HETATM 0 H11 EDO A 217 1.660 39.341 27.360 1.00 63.05 H new HETATM 3248 C1 EDO A 218 -0.740 20.546 45.909 1.00 51.64 C HETATM 3249 O1 EDO A 218 -1.983 20.000 46.361 1.00 53.41 O HETATM 3250 C2 EDO A 218 -0.017 19.483 45.093 1.00 48.36 C HETATM 3251 O2 EDO A 218 0.061 18.277 45.844 1.00 55.04 O HETATM 0 HO2 EDO A 218 -0.595 17.787 45.656 1.00 55.04 H new HETATM 0 HO1 EDO A 218 -1.923 19.163 46.402 1.00 53.41 H new HETATM 0 H22 EDO A 218 -0.488 19.326 44.260 1.00 48.36 H new HETATM 0 H21 EDO A 218 0.874 19.789 44.862 1.00 48.36 H new HETATM 0 H12 EDO A 218 -0.895 21.338 45.370 1.00 51.64 H new HETATM 0 H11 EDO A 218 -0.197 20.819 46.665 1.00 51.64 H new HETATM 3252 C1 EDO A 219 -13.676 22.213 46.723 1.00 61.33 C HETATM 3253 O1 EDO A 219 -13.259 23.527 47.124 1.00 61.13 O HETATM 3254 C2 EDO A 219 -12.602 21.170 47.052 1.00 59.00 C HETATM 3255 O2 EDO A 219 -12.884 19.926 46.384 1.00 64.04 O HETATM 0 HO2 EDO A 219 -12.287 19.365 46.572 1.00 64.04 H new HETATM 0 HO1 EDO A 219 -13.860 24.082 46.934 1.00 61.13 H new HETATM 0 H22 EDO A 219 -11.731 21.499 46.781 1.00 59.00 H new HETATM 0 H21 EDO A 219 -12.565 21.027 48.011 1.00 59.00 H new HETATM 0 H12 EDO A 219 -14.504 21.982 47.172 1.00 61.33 H new HETATM 0 H11 EDO A 219 -13.858 22.205 45.770 1.00 61.33 H new HETATM 3256 C1 EDO B 212 -2.409 8.289 28.556 1.00 58.66 C HETATM 3257 O1 EDO B 212 -2.498 9.517 27.796 1.00 56.91 O HETATM 3258 C2 EDO B 212 -2.065 8.496 30.037 1.00 50.05 C HETATM 3259 O2 EDO B 212 -3.110 9.151 30.794 1.00 39.85 O HETATM 0 HO2 EDO B 212 -3.085 8.889 31.592 1.00 39.85 H new HETATM 0 HO1 EDO B 212 -2.687 9.339 26.997 1.00 56.91 H new HETATM 0 H22 EDO B 212 -1.877 7.634 30.440 1.00 50.05 H new HETATM 0 H21 EDO B 212 -1.253 9.022 30.101 1.00 50.05 H new HETATM 0 H12 EDO B 212 -3.255 7.818 28.493 1.00 58.66 H new HETATM 0 H11 EDO B 212 -1.736 7.718 28.154 1.00 58.66 H new HETATM 3260 C1 EDO B 213 -5.932 12.532 36.376 1.00 51.91 C HETATM 3261 O1 EDO B 213 -5.787 11.390 37.196 1.00 50.52 O HETATM 3262 C2 EDO B 213 -6.191 12.342 34.907 1.00 47.09 C HETATM 3263 O2 EDO B 213 -5.181 11.506 34.355 1.00 45.46 O HETATM 0 HO2 EDO B 213 -4.896 10.983 34.947 1.00 45.46 H new HETATM 0 HO1 EDO B 213 -5.071 10.995 37.003 1.00 50.52 H new HETATM 0 H22 EDO B 213 -7.065 11.944 34.771 1.00 47.09 H new HETATM 0 H21 EDO B 213 -6.197 13.200 34.455 1.00 47.09 H new HETATM 0 H12 EDO B 213 -6.660 13.062 36.736 1.00 51.91 H new HETATM 0 H11 EDO B 213 -5.125 13.062 36.466 1.00 51.91 H new HETATM 3264 C1 EDO B 214 7.527 35.608 35.461 1.00 45.50 C HETATM 3265 O1 EDO B 214 6.404 35.517 36.348 1.00 44.28 O HETATM 3266 C2 EDO B 214 7.127 35.043 34.110 1.00 42.97 C HETATM 3267 O2 EDO B 214 5.974 35.724 33.617 1.00 41.63 O HETATM 0 HO2 EDO B 214 5.732 36.305 34.174 1.00 41.63 H new HETATM 0 HO1 EDO B 214 5.905 36.184 36.238 1.00 44.28 H new HETATM 0 H22 EDO B 214 7.860 35.137 33.482 1.00 42.97 H new HETATM 0 H21 EDO B 214 6.942 34.094 34.190 1.00 42.97 H new HETATM 0 H12 EDO B 214 7.809 36.532 35.369 1.00 45.50 H new HETATM 0 H11 EDO B 214 8.281 35.116 35.822 1.00 45.50 H new HETATM 3268 C1 EDO B 215 -7.249 42.663 33.674 1.00 40.15 C HETATM 3269 O1 EDO B 215 -6.008 43.396 33.847 1.00 60.45 O HETATM 3270 C2 EDO B 215 -7.946 42.265 34.977 1.00 45.89 C HETATM 3271 O2 EDO B 215 -9.305 41.915 34.734 1.00 45.71 O HETATM 0 HO2 EDO B 215 -9.396 41.686 33.931 1.00 45.71 H new HETATM 0 HO1 EDO B 215 -6.091 44.168 33.526 1.00 60.45 H new HETATM 0 H22 EDO B 215 -7.482 41.516 35.382 1.00 45.89 H new HETATM 0 H21 EDO B 215 -7.904 43.000 35.609 1.00 45.89 H new HETATM 0 H12 EDO B 215 -7.859 43.204 33.148 1.00 40.15 H new HETATM 0 H11 EDO B 215 -7.067 41.860 33.161 1.00 40.15 H new HETATM 3272 C1 EDO B 216 -6.710 43.297 11.780 1.00 48.47 C HETATM 3273 O1 EDO B 216 -8.096 43.356 12.028 1.00 46.13 O HETATM 3274 C2 EDO B 216 -6.101 42.194 12.616 1.00 49.42 C HETATM 3275 O2 EDO B 216 -4.752 41.973 12.222 1.00 54.24 O HETATM 0 HO2 EDO B 216 -4.420 41.361 12.691 1.00 54.24 H new HETATM 0 HO1 EDO B 216 -8.242 43.210 12.842 1.00 46.13 H new HETATM 0 H22 EDO B 216 -6.136 42.433 13.555 1.00 49.42 H new HETATM 0 H21 EDO B 216 -6.614 41.378 12.511 1.00 49.42 H new HETATM 0 H12 EDO B 216 -6.546 43.132 10.838 1.00 48.47 H new HETATM 0 H11 EDO B 216 -6.296 44.147 11.995 1.00 48.47 H new HETATM 3276 C1 EDO B 217 2.363 27.474 45.593 1.00 61.18 C HETATM 3277 O1 EDO B 217 1.956 28.833 45.391 1.00 61.02 O HETATM 3278 C2 EDO B 217 3.648 27.420 46.402 1.00 60.95 C HETATM 3279 O2 EDO B 217 3.896 26.089 46.898 1.00 68.57 O HETATM 0 HO2 EDO B 217 4.610 26.083 47.340 1.00 68.57 H new HETATM 0 HO1 EDO B 217 2.572 29.349 45.635 1.00 61.02 H new HETATM 0 H22 EDO B 217 4.393 27.706 45.850 1.00 60.95 H new HETATM 0 H21 EDO B 217 3.591 28.040 47.146 1.00 60.95 H new HETATM 0 H12 EDO B 217 1.663 26.986 46.054 1.00 61.18 H new HETATM 0 H11 EDO B 217 2.495 27.039 44.736 1.00 61.18 H new HETATM 3280 C1 EDO B 218 -6.464 44.946 8.007 1.00 54.83 C HETATM 3281 O1 EDO B 218 -7.746 44.701 7.420 1.00 53.52 O HETATM 3282 C2 EDO B 218 -5.375 43.929 7.697 1.00 58.08 C HETATM 3283 O2 EDO B 218 -4.635 43.636 8.896 1.00 68.31 O HETATM 0 HO2 EDO B 218 -4.035 43.074 8.725 1.00 68.31 H new HETATM 0 HO1 EDO B 218 -7.876 43.873 7.367 1.00 53.52 H new HETATM 0 H22 EDO B 218 -5.769 43.117 7.342 1.00 58.08 H new HETATM 0 H21 EDO B 218 -4.779 44.277 7.015 1.00 58.08 H new HETATM 0 H12 EDO B 218 -6.157 45.819 7.715 1.00 54.83 H new HETATM 0 H11 EDO B 218 -6.574 44.991 8.970 1.00 54.83 H new HETATM 3284 C1 EDO B 219 -16.737 43.115 29.829 1.00 62.73 C HETATM 3285 O1 EDO B 219 -18.136 43.050 29.546 1.00 63.21 O HETATM 3286 C2 EDO B 219 -16.440 42.812 31.293 1.00 53.46 C HETATM 3287 O2 EDO B 219 -15.477 43.684 31.906 1.00 61.60 O HETATM 0 HO2 EDO B 219 -14.767 43.677 31.457 1.00 61.60 H new HETATM 0 HO1 EDO B 219 -18.266 43.223 28.734 1.00 63.21 H new HETATM 0 H22 EDO B 219 -17.268 42.862 31.795 1.00 53.46 H new HETATM 0 H21 EDO B 219 -16.121 41.899 31.363 1.00 53.46 H new HETATM 0 H12 EDO B 219 -16.263 42.483 29.266 1.00 62.73 H new HETATM 0 H11 EDO B 219 -16.403 43.998 29.607 1.00 62.73 H new HETATM 3288 O HOH A 220 23.570 22.926 35.685 1.00 58.11 O HETATM 3289 O HOH A 221 -1.423 15.221 47.967 1.00 52.42 O HETATM 3290 O HOH A 222 8.825 5.841 46.900 1.00 55.67 O HETATM 3291 O HOH A 223 22.007 22.565 25.450 1.00 41.17 O HETATM 3292 O HOH A 224 8.049 24.210 46.725 1.00 42.19 O HETATM 3293 O HOH A 225 -10.256 16.082 39.556 1.00 42.38 O HETATM 3294 O HOH A 226 17.716 7.973 19.493 1.00 41.38 O HETATM 3295 O HOH A 227 14.694 5.500 13.617 1.00 42.33 O HETATM 3296 O HOH A 228 7.877 18.038 15.656 1.00 60.69 O HETATM 3297 O HOH A 229 20.783 12.318 40.633 1.00 60.26 O HETATM 3298 O HOH A 230 18.140 4.005 28.419 1.00 54.15 O HETATM 3299 O HOH A 231 18.742 8.930 34.483 1.00 44.18 O HETATM 3300 O HOH A 232 7.691 3.432 25.310 1.00 37.25 O HETATM 3301 O HOH A 233 5.568 3.921 26.985 1.00 51.33 O HETATM 3302 O HOH A 234 7.700 6.006 26.228 1.00 40.35 O HETATM 3303 O HOH A 235 6.878 6.787 28.393 1.00 48.79 O HETATM 3304 O HOH A 236 21.052 28.766 27.411 1.00 47.92 O HETATM 3305 O HOH A 237 6.005 1.057 32.026 1.00 29.85 O HETATM 3306 O HOH A 238 10.199 32.942 36.419 1.00 34.06 O HETATM 3307 O HOH A 239 5.378 3.819 32.356 1.00 41.99 O HETATM 3308 O HOH A 240 10.436 3.917 14.887 1.00 38.81 O HETATM 3309 O HOH A 241 11.045 15.857 3.539 1.00 53.87 O HETATM 3310 O HOH A 242 22.063 19.239 27.408 1.00 45.58 O HETATM 3311 O HOH A 243 21.907 26.374 18.666 1.00 43.24 O HETATM 3312 O HOH A 244 14.957 8.476 19.195 1.00 33.60 O HETATM 3313 O HOH A 245 11.436 21.305 24.741 1.00 27.54 O HETATM 3314 O HOH A 246 16.703 35.185 22.722 1.00 56.94 O HETATM 3315 O HOH A 247 20.313 25.192 9.749 1.00 48.44 O HETATM 3316 O HOH A 248 -12.662 18.963 42.159 1.00 30.88 O HETATM 3317 O HOH A 249 21.491 9.963 30.046 1.00 37.82 O HETATM 3318 O HOH A 250 8.315 36.251 25.154 1.00 37.07 O HETATM 3319 O HOH A 251 4.980 29.207 39.385 1.00 28.51 O HETATM 3320 O HOH A 252 3.879 33.969 18.410 1.00 40.55 O HETATM 3321 O HOH A 253 13.929 33.409 27.811 1.00 35.11 O HETATM 3322 O HOH A 254 11.393 34.060 23.982 1.00 41.30 O HETATM 3323 O HOH A 255 14.809 9.383 16.509 1.00 32.97 O HETATM 3324 O HOH A 256 21.503 23.919 39.343 1.00 47.28 O HETATM 3325 O HOH A 257 3.178 17.387 43.024 1.00 30.97 O HETATM 3326 O HOH A 258 10.673 5.790 31.749 1.00 29.85 O HETATM 3327 O HOH A 259 17.097 28.191 30.586 1.00 37.15 O HETATM 3328 O HOH A 260 17.010 -2.180 36.646 1.00 34.23 O HETATM 3329 O HOH A 261 21.536 23.771 34.038 1.00 39.91 O HETATM 3330 O HOH A 262 2.124 26.077 14.227 1.00 43.50 O HETATM 3331 O HOH A 263 4.834 10.792 45.416 1.00 35.39 O HETATM 3332 O HOH A 264 17.414 18.044 16.149 1.00 36.10 O HETATM 3333 O HOH A 265 11.352 19.801 44.171 1.00 38.93 O HETATM 3334 O HOH A 266 23.611 6.161 6.196 1.00 43.39 O HETATM 3335 O HOH A 267 15.007 -0.525 35.166 1.00 31.93 O HETATM 3336 O HOH A 268 15.591 1.975 36.126 1.00 37.84 O HETATM 3337 O HOH A 269 11.388 20.603 21.888 1.00 38.50 O HETATM 3338 O HOH A 270 8.624 36.344 29.887 1.00 38.68 O HETATM 3339 O HOH A 271 17.259 30.792 22.256 1.00 37.69 O HETATM 3340 O HOH A 272 12.277 35.537 13.926 1.00 45.06 O HETATM 3341 O HOH A 273 7.613 29.907 40.401 1.00 31.27 O HETATM 3342 O HOH A 274 3.100 11.739 24.064 1.00 44.18 O HETATM 3343 O HOH A 275 18.897 27.060 34.459 1.00 52.91 O HETATM 3344 O HOH A 276 8.628 29.177 12.101 1.00 33.87 O HETATM 3345 O HOH A 277 13.230 7.302 37.759 1.00 33.79 O HETATM 3346 O HOH A 278 15.929 7.055 15.392 1.00 40.11 O HETATM 3347 O HOH A 279 2.704 8.362 43.487 1.00 60.17 O HETATM 3348 O HOH A 280 11.792 28.894 39.210 1.00 34.33 O HETATM 3349 O HOH A 281 16.394 11.563 13.802 1.00 34.82 O HETATM 3350 O HOH A 282 13.111 34.645 30.342 1.00 35.88 O HETATM 3351 O HOH A 283 6.648 36.922 27.341 1.00 43.52 O HETATM 3352 O HOH A 284 0.246 32.904 16.878 1.00 48.60 O HETATM 3353 O HOH A 285 21.977 26.151 23.501 1.00 42.13 O HETATM 3354 O HOH A 286 18.113 16.149 -4.222 1.00 39.30 O HETATM 3355 O HOH A 287 28.049 4.862 3.396 1.00 49.50 O HETATM 3356 O HOH A 288 5.169 32.066 14.944 1.00 52.45 O HETATM 3357 O HOH A 289 -8.865 23.459 47.093 1.00 40.90 O HETATM 3358 O HOH A 290 22.892 10.481 13.795 1.00 48.36 O HETATM 3359 O HOH A 291 20.803 14.212 -4.639 1.00 40.21 O HETATM 3360 O HOH A 292 22.062 20.752 -3.930 1.00 46.20 O HETATM 3361 O HOH A 293 23.265 9.952 10.997 1.00 42.63 O HETATM 3362 O HOH A 294 23.219 21.205 11.012 1.00 49.33 O HETATM 3363 O HOH A 295 4.734 12.175 11.327 1.00 54.11 O HETATM 3364 O HOH A 296 14.126 4.322 36.531 1.00 37.13 O HETATM 3365 O HOH A 297 30.922 19.391 -5.668 1.00 49.16 O HETATM 3366 O HOH A 298 28.631 9.231 -2.980 1.00 47.44 O HETATM 3367 O HOH A 299 25.658 16.996 36.823 1.00 60.61 O HETATM 3368 O HOH A 300 4.128 24.763 12.875 1.00 45.30 O HETATM 3369 O HOH A 301 16.517 5.418 17.448 1.00 48.51 O HETATM 3370 O HOH A 302 14.066 27.183 5.072 1.00 43.16 O HETATM 3371 O HOH A 303 25.389 15.648 31.952 1.00 50.48 O HETATM 3372 O HOH A 304 -2.476 17.256 46.770 1.00 36.50 O HETATM 3373 O HOH A 305 16.515 11.908 3.859 1.00 38.47 O HETATM 3374 O HOH A 306 29.912 11.809 -3.719 1.00 42.02 O HETATM 3375 O HOH A 307 20.082 24.281 15.566 1.00 42.98 O HETATM 3376 O HOH A 308 22.356 2.334 -0.478 1.00 50.44 O HETATM 3377 O HOH A 309 16.955 3.901 2.747 1.00 56.26 O HETATM 3378 O HOH A 310 19.139 9.699 17.794 1.00 41.41 O HETATM 3379 O HOH A 311 21.823 25.534 0.179 1.00 49.25 O HETATM 3380 O HOH A 312 2.364 15.502 45.706 1.00 51.84 O HETATM 3381 O HOH A 313 15.218 25.357 -2.513 1.00 56.79 O HETATM 3382 O HOH A 314 19.647 27.429 12.652 1.00 51.33 O HETATM 3383 O HOH A 315 5.117 20.812 46.901 1.00 55.78 O HETATM 3384 O HOH A 316 21.438 10.552 36.490 1.00 58.81 O HETATM 3385 O HOH A 317 14.088 3.346 15.063 1.00 50.19 O HETATM 3386 O HOH A 318 -4.423 7.980 43.836 1.00 54.37 O HETATM 3387 O HOH A 319 15.152 29.605 4.933 1.00 55.05 O HETATM 3388 O HOH A 320 16.812 6.948 35.550 1.00 55.19 O HETATM 3389 O HOH A 321 3.329 10.885 47.942 1.00 49.51 O HETATM 3390 O HOH A 322 12.943 22.599 -1.147 1.00 53.63 O HETATM 3391 O HOH A 323 28.890 11.939 -6.216 1.00 45.29 O HETATM 3392 O HOH A 324 10.299 7.390 48.788 1.00 55.69 O HETATM 3393 O HOH A 325 6.499 30.388 11.221 1.00 50.97 O HETATM 3394 O HOH A 326 17.270 10.865 16.237 1.00 45.57 O HETATM 3395 O HOH A 327 20.304 28.636 14.963 1.00 46.34 O HETATM 3396 O HOH A 328 27.530 14.061 -6.987 1.00 55.89 O HETATM 3397 O HOH A 329 23.033 20.676 15.589 1.00 45.71 O HETATM 3398 O HOH A 330 23.768 11.259 24.355 1.00 52.68 O HETATM 3399 O HOH A 331 13.350 18.272 42.926 1.00 29.99 O HETATM 3400 O HOH A 332 9.350 16.049 25.465 1.00 30.14 O HETATM 3401 O HOH A 333 3.127 4.553 37.797 1.00 34.39 O HETATM 3402 O HOH A 334 7.871 26.606 12.602 1.00 33.84 O HETATM 3403 O HOH A 335 2.766 4.307 34.682 1.00 33.54 O HETATM 3404 O HOH A 336 7.786 14.395 26.686 1.00 30.34 O HETATM 3405 O HOH A 337 20.270 24.594 25.004 1.00 34.78 O HETATM 3406 O HOH A 338 5.877 25.571 11.093 1.00 37.22 O HETATM 3407 O HOH A 339 12.106 2.043 13.788 1.00 34.00 O HETATM 3408 O HOH A 340 11.847 18.864 19.924 1.00 35.06 O HETATM 3409 O HOH A 341 22.760 18.724 20.975 1.00 39.08 O HETATM 3410 O HOH A 342 21.665 21.382 19.602 1.00 43.14 O HETATM 3411 O HOH A 343 20.778 21.674 17.037 1.00 48.55 O HETATM 3412 O HOH A 344 18.695 20.597 15.785 1.00 44.68 O HETATM 3413 O HOH A 345 18.984 21.681 12.875 1.00 54.28 O HETATM 3414 O HOH A 346 19.533 26.584 16.924 1.00 35.36 O HETATM 3415 O HOH A 347 1.582 8.569 29.122 1.00 35.91 O HETATM 3416 O HOH A 348 9.776 17.122 45.048 1.00 42.99 O HETATM 3417 O HOH A 349 11.772 16.034 43.399 1.00 43.66 O HETATM 3418 O HOH A 350 16.268 4.231 30.317 1.00 41.63 O HETATM 3419 O HOH A 351 7.007 18.330 18.188 1.00 44.64 O HETATM 3420 O HOH A 352 -9.368 13.469 45.502 1.00 51.15 O HETATM 3421 O HOH A 353 19.846 30.870 9.970 1.00 47.25 O HETATM 3422 O HOH A 354 14.456 16.637 1.845 1.00 58.74 O HETATM 3423 O HOH A 355 6.111 18.620 45.359 1.00 55.69 O HETATM 3424 O HOH A 356 -10.291 12.158 41.136 1.00 57.62 O HETATM 3425 O HOH A 357 1.555 23.491 46.811 1.00 58.21 O HETATM 3426 O HOH A 358 8.947 18.135 20.319 1.00 43.45 O HETATM 3427 O HOH A 359 -4.152 8.147 39.896 1.00 55.67 O HETATM 3428 O HOH A 360 11.606 6.417 8.581 1.00 52.36 O HETATM 3429 O HOH A 361 9.504 25.783 5.038 1.00 62.74 O HETATM 3430 O HOH A 362 24.676 19.305 16.963 1.00 59.66 O HETATM 3431 O HOH A 363 29.439 20.760 10.334 1.00 58.03 O HETATM 3432 O HOH A 364 17.804 29.642 11.502 1.00 49.35 O HETATM 3433 O HOH A 365 -17.892 18.540 34.343 1.00 53.46 O HETATM 3434 O HOH A 366 10.648 33.797 21.688 1.00 50.58 O HETATM 3435 O HOH A 367 21.257 26.334 7.636 1.00 63.35 O HETATM 3436 O HOH A 368 20.164 8.058 28.628 1.00 62.07 O HETATM 3437 O HOH A 369 -15.243 12.752 32.824 1.00 62.98 O HETATM 3438 O HOH A 370 19.470 33.046 16.331 1.00 51.78 O HETATM 3439 O HOH A 371 9.391 37.792 21.538 1.00 69.46 O HETATM 3440 O HOH A 372 12.668 27.816 2.422 1.00 58.71 O HETATM 3441 O HOH A 373 14.473 5.873 7.377 1.00 50.18 O HETATM 3442 O HOH A 374 19.975 26.284 27.520 1.00 38.17 O HETATM 3443 O HOH A 375 18.384 25.935 29.659 1.00 44.00 O HETATM 3444 O HOH A 376 1.769 12.251 26.471 1.00 40.76 O HETATM 3445 O HOH A 377 -14.116 24.761 44.086 1.00 48.26 O HETATM 3446 O HOH A 378 22.615 28.330 25.216 1.00 60.84 O HETATM 3447 O HOH A 379 16.229 23.017 -3.942 1.00 58.69 O HETATM 3448 O HOH A 380 24.178 18.998 23.456 1.00 58.77 O HETATM 3449 O HOH A 381 5.987 10.039 8.877 1.00 59.14 O HETATM 3450 O HOH A 382 34.624 23.214 -1.744 1.00 61.21 O HETATM 3451 O HOH A 383 27.322 22.877 9.780 1.00 62.17 O HETATM 3452 O HOH A 384 26.080 1.340 0.957 1.00 60.53 O HETATM 3453 O HOH A 385 16.927 17.020 0.391 1.00 59.35 O HETATM 3454 O HOH A 386 -10.221 15.802 47.426 1.00 62.66 O HETATM 3455 O HOH A 387 -8.781 11.418 43.149 1.00 73.13 O HETATM 3456 O HOH A 388 33.639 19.419 -4.483 1.00 52.40 O HETATM 3457 O HOH A 389 7.101 8.904 48.372 1.00 71.77 O HETATM 3458 O HOH A 390 20.964 30.442 5.471 1.00 64.88 O HETATM 3459 O HOH A 391 18.839 32.808 21.268 1.00 65.42 O HETATM 3460 O HOH A 392 25.070 12.056 28.090 1.00 62.60 O HETATM 3461 O HOH A 393 19.313 30.733 27.686 1.00 58.58 O HETATM 3462 O HOH A 394 6.858 12.906 23.572 1.00 43.71 O HETATM 3463 O HOH A 395 8.494 19.297 45.561 1.00 60.10 O HETATM 3464 O HOH A 396 19.284 10.128 38.570 1.00 68.02 O HETATM 3465 O HOH A 397 5.082 8.059 23.822 1.00 55.28 O HETATM 3466 O HOH A 398 4.461 15.901 4.371 1.00 68.03 O HETATM 3467 O HOH A 399 12.785 37.172 16.047 1.00 64.23 O HETATM 3468 O HOH A 400 5.577 5.211 24.968 1.00 54.84 O HETATM 3469 O HOH A 401 24.800 18.704 31.605 1.00 61.12 O HETATM 3470 O HOH A 402 24.178 19.912 33.860 1.00 53.71 O HETATM 3471 O HOH A 403 8.808 17.417 13.301 1.00 54.15 O HETATM 3472 O HOH A 404 3.851 16.665 23.181 1.00 52.37 O HETATM 3473 O HOH A 405 3.963 18.402 25.051 1.00 40.09 O HETATM 3474 O HOH A 406 5.021 38.533 25.605 1.00 56.96 O HETATM 3475 O HOH A 407 1.251 20.307 18.843 1.00 40.67 O HETATM 3476 O HOH A 408 3.617 19.776 17.383 1.00 51.20 O HETATM 3477 O HOH A 409 2.318 16.880 20.565 1.00 60.91 O HETATM 3478 O HOH A 410 7.556 2.746 21.165 1.00 60.00 O HETATM 3479 O HOH B 220 -20.429 18.585 29.171 1.00 53.34 O HETATM 3480 O HOH B 221 -22.059 22.669 30.837 1.00 58.76 O HETATM 3481 O HOH B 222 -19.894 21.226 28.964 1.00 41.05 O HETATM 3482 O HOH B 223 -4.077 47.919 34.173 1.00 43.09 O HETATM 3483 O HOH B 224 -11.399 10.318 31.068 1.00 59.35 O HETATM 3484 O HOH B 225 -4.890 8.928 26.602 1.00 58.94 O HETATM 3485 O HOH B 226 9.056 35.137 47.036 1.00 67.06 O HETATM 3486 O HOH B 227 -24.265 28.183 25.268 1.00 55.54 O HETATM 3487 O HOH B 228 6.922 25.919 48.491 1.00 53.54 O HETATM 3488 O HOH B 229 -21.855 24.979 27.245 1.00 39.18 O HETATM 3489 O HOH B 230 -11.421 26.830 22.706 1.00 42.15 O HETATM 3490 O HOH B 231 -7.650 30.515 45.559 1.00 43.24 O HETATM 3491 O HOH B 232 11.274 35.220 36.847 1.00 47.23 O HETATM 3492 O HOH B 233 -7.721 28.073 15.341 1.00 44.14 O HETATM 3493 O HOH B 234 -21.866 25.883 21.283 1.00 48.89 O HETATM 3494 O HOH B 235 -20.851 18.988 16.333 1.00 41.85 O HETATM 3495 O HOH B 236 -17.117 32.964 44.794 1.00 65.36 O HETATM 3496 O HOH B 237 -6.511 9.551 39.136 1.00 56.03 O HETATM 3497 O HOH B 238 -8.548 11.319 13.538 1.00 50.87 O HETATM 3498 O HOH B 239 0.840 9.919 27.036 1.00 49.44 O HETATM 3499 O HOH B 240 -4.465 39.420 12.389 1.00 55.61 O HETATM 3500 O HOH B 241 -5.271 8.278 32.152 1.00 52.33 O HETATM 3501 O HOH B 242 -17.463 39.119 35.456 1.00 62.04 O HETATM 3502 O HOH B 243 -6.924 10.062 33.035 1.00 52.81 O HETATM 3503 O HOH B 244 -26.477 36.962 13.474 1.00 53.25 O HETATM 3504 O HOH B 245 -0.666 21.402 13.700 1.00 50.62 O HETATM 3505 O HOH B 246 -5.880 41.121 28.499 1.00 52.27 O HETATM 3506 O HOH B 247 -3.705 18.427 39.915 1.00 27.04 O HETATM 3507 O HOH B 248 -20.138 22.892 26.534 1.00 37.14 O HETATM 3508 O HOH B 249 -11.253 25.998 25.663 1.00 27.07 O HETATM 3509 O HOH B 250 0.186 23.549 27.523 1.00 33.29 O HETATM 3510 O HOH B 251 14.086 28.793 40.879 1.00 27.36 O HETATM 3511 O HOH B 252 -22.256 21.042 20.249 1.00 44.07 O HETATM 3512 O HOH B 253 10.803 24.142 46.226 1.00 41.84 O HETATM 3513 O HOH B 254 -5.515 28.113 13.726 1.00 46.26 O HETATM 3514 O HOH B 255 -5.851 37.427 13.533 1.00 36.23 O HETATM 3515 O HOH B 256 -1.704 30.342 42.963 1.00 28.77 O HETATM 3516 O HOH B 257 -11.745 29.389 43.749 1.00 29.20 O HETATM 3517 O HOH B 258 -9.941 41.681 32.223 1.00 32.07 O HETATM 3518 O HOH B 259 -16.667 19.236 32.155 1.00 36.41 O HETATM 3519 O HOH B 260 -12.660 12.784 31.777 1.00 31.42 O HETATM 3520 O HOH B 261 -9.362 14.609 37.525 1.00 37.17 O HETATM 3521 O HOH B 262 -17.748 29.265 17.238 1.00 29.79 O HETATM 3522 O HOH B 263 11.127 34.257 44.630 1.00 42.73 O HETATM 3523 O HOH B 264 -13.561 14.040 29.079 1.00 34.46 O HETATM 3524 O HOH B 265 -8.661 20.077 13.177 1.00 31.41 O HETATM 3525 O HOH B 266 -20.750 23.792 35.706 1.00 38.98 O HETATM 3526 O HOH B 267 -20.873 37.519 31.761 1.00 36.30 O HETATM 3527 O HOH B 268 -11.293 39.757 9.097 1.00 41.49 O HETATM 3528 O HOH B 269 -1.600 38.600 28.574 1.00 41.12 O HETATM 3529 O HOH B 270 -7.061 28.268 18.148 1.00 33.00 O HETATM 3530 O HOH B 271 -4.588 29.090 45.329 1.00 45.13 O HETATM 3531 O HOH B 272 -8.360 10.981 26.326 1.00 34.64 O HETATM 3532 O HOH B 273 -4.747 12.657 19.159 1.00 40.02 O HETATM 3533 O HOH B 274 -23.213 27.433 36.029 1.00 59.42 O HETATM 3534 O HOH B 275 -5.307 21.561 12.828 1.00 36.45 O HETATM 3535 O HOH B 276 -8.407 10.913 31.124 1.00 33.65 O HETATM 3536 O HOH B 277 -1.847 43.133 37.657 1.00 39.52 O HETATM 3537 O HOH B 278 -11.568 13.282 25.112 1.00 43.21 O HETATM 3538 O HOH B 279 -8.905 31.180 17.460 1.00 52.82 O HETATM 3539 O HOH B 280 -6.179 14.272 15.569 1.00 54.74 O HETATM 3540 O HOH B 281 -6.685 10.275 28.341 1.00 42.04 O HETATM 3541 O HOH B 282 -9.478 17.519 12.949 1.00 32.98 O HETATM 3542 O HOH B 283 -17.929 21.521 31.351 1.00 40.98 O HETATM 3543 O HOH B 284 -21.972 21.506 25.099 1.00 45.48 O HETATM 3544 O HOH B 285 -3.175 37.116 45.262 1.00 34.92 O HETATM 3545 O HOH B 286 -5.903 46.248 32.817 1.00 33.84 O HETATM 3546 O HOH B 287 -22.171 27.815 28.872 1.00 51.20 O HETATM 3547 O HOH B 288 -9.717 29.640 13.979 1.00 43.67 O HETATM 3548 O HOH B 289 -6.007 34.267 11.562 1.00 58.78 O HETATM 3549 O HOH B 290 -24.112 41.302 11.833 1.00 54.81 O HETATM 3550 O HOH B 291 -17.436 16.652 23.725 1.00 35.84 O HETATM 3551 O HOH B 292 -12.325 28.912 13.739 1.00 35.59 O HETATM 3552 O HOH B 293 -17.637 40.233 32.535 1.00 50.29 O HETATM 3553 O HOH B 294 -9.090 44.492 9.973 1.00 34.03 O HETATM 3554 O HOH B 295 -3.738 35.112 24.144 1.00 50.27 O HETATM 3555 O HOH B 296 -7.680 29.376 6.333 1.00 36.45 O HETATM 3556 O HOH B 297 -6.088 23.458 47.271 1.00 36.16 O HETATM 3557 O HOH B 298 4.267 30.525 46.253 1.00 38.24 O HETATM 3558 O HOH B 299 -22.731 28.384 22.797 1.00 41.48 O HETATM 3559 O HOH B 300 -0.685 32.512 45.692 1.00 49.12 O HETATM 3560 O HOH B 301 -10.431 18.802 40.289 1.00 34.86 O HETATM 3561 O HOH B 302 -4.844 24.286 10.617 1.00 49.06 O HETATM 3562 O HOH B 303 -9.949 12.101 37.954 1.00 44.66 O HETATM 3563 O HOH B 304 -10.856 42.690 8.726 1.00 37.99 O HETATM 3564 O HOH B 305 -0.854 39.480 43.235 1.00 51.86 O HETATM 3565 O HOH B 306 11.377 35.670 40.002 1.00 58.13 O HETATM 3566 O HOH B 307 -19.450 29.030 13.872 1.00 56.54 O HETATM 3567 O HOH B 308 -17.929 35.894 5.592 1.00 45.93 O HETATM 3568 O HOH B 309 -6.230 32.388 6.126 1.00 50.07 O HETATM 3569 O HOH B 310 -20.358 14.388 17.913 1.00 48.43 O HETATM 3570 O HOH B 311 -1.133 38.144 47.114 1.00 51.56 O HETATM 3571 O HOH B 312 -3.161 20.174 14.064 1.00 38.95 O HETATM 3572 O HOH B 313 -6.032 32.126 13.281 1.00 58.66 O HETATM 3573 O HOH B 314 -5.217 39.337 22.709 1.00 48.53 O HETATM 3574 O HOH B 315 11.523 31.474 38.395 1.00 40.89 O HETATM 3575 O HOH B 316 -10.143 31.599 44.211 1.00 45.64 O HETATM 3576 O HOH B 317 -18.173 20.502 36.022 1.00 56.42 O HETATM 3577 O HOH B 318 -17.285 22.833 11.082 1.00 50.05 O HETATM 3578 O HOH B 319 -18.407 36.635 17.925 1.00 47.87 O HETATM 3579 O HOH B 320 -24.131 35.811 26.557 1.00 59.00 O HETATM 3580 O HOH B 321 -1.650 34.319 49.152 1.00 46.59 O HETATM 3581 O HOH B 322 -11.400 38.504 6.664 1.00 48.73 O HETATM 3582 O HOH B 323 -13.119 28.478 18.498 1.00 51.18 O HETATM 3583 O HOH B 324 -24.429 30.642 38.874 1.00 61.52 O HETATM 3584 O HOH B 325 -21.707 32.959 11.578 1.00 42.16 O HETATM 3585 O HOH B 326 -2.675 35.884 19.567 1.00 49.56 O HETATM 3586 O HOH B 327 -6.273 17.671 41.123 1.00 26.62 O HETATM 3587 O HOH B 328 -19.194 26.765 17.232 1.00 33.61 O HETATM 3588 O HOH B 329 -12.094 28.388 20.844 1.00 31.67 O HETATM 3589 O HOH B 330 -8.955 31.221 26.104 1.00 35.56 O HETATM 3590 O HOH B 331 -7.749 33.393 27.175 1.00 34.96 O HETATM 3591 O HOH B 332 -13.328 31.543 4.743 1.00 40.61 O HETATM 3592 O HOH B 333 -14.097 30.002 2.670 1.00 35.52 O HETATM 3593 O HOH B 334 -3.794 26.609 17.278 1.00 37.17 O HETATM 3594 O HOH B 335 -1.353 25.692 18.183 1.00 27.12 O HETATM 3595 O HOH B 336 -0.241 23.363 16.443 1.00 51.40 O HETATM 3596 O HOH B 337 -20.133 20.796 18.528 1.00 35.07 O HETATM 3597 O HOH B 338 -13.429 11.448 15.309 1.00 39.41 O HETATM 3598 O HOH B 339 -4.247 28.450 25.468 1.00 36.78 O HETATM 3599 O HOH B 340 -9.748 27.825 45.091 1.00 43.09 O HETATM 3600 O HOH B 341 -4.305 37.848 18.365 1.00 44.73 O HETATM 3601 O HOH B 342 -14.733 36.508 37.840 1.00 49.16 O HETATM 3602 O HOH B 343 -5.243 36.702 16.073 1.00 44.17 O HETATM 3603 O HOH B 344 -4.288 34.207 16.203 1.00 52.27 O HETATM 3604 O HOH B 345 -5.704 31.754 15.940 1.00 46.84 O HETATM 3605 O HOH B 346 -21.383 25.676 18.628 1.00 42.13 O HETATM 3606 O HOH B 347 -20.690 22.941 16.981 1.00 44.21 O HETATM 3607 O HOH B 348 -1.958 34.590 26.288 1.00 45.27 O HETATM 3608 O HOH B 349 -15.066 33.042 4.035 1.00 47.80 O HETATM 3609 O HOH B 350 -16.313 12.026 25.035 1.00 58.07 O HETATM 3610 O HOH B 351 -14.914 32.403 46.128 1.00 60.05 O HETATM 3611 O HOH B 352 -23.173 38.879 23.513 1.00 68.97 O HETATM 3612 O HOH B 353 -23.672 28.817 33.892 1.00 59.71 O HETATM 3613 O HOH B 354 -20.665 36.684 38.337 1.00 53.40 O HETATM 3614 O HOH B 355 -1.437 43.061 34.173 1.00 50.45 O HETATM 3615 O HOH B 356 -19.881 40.116 23.713 1.00 52.98 O HETATM 3616 O HOH B 357 5.541 39.172 38.820 1.00 65.00 O HETATM 3617 O HOH B 358 -10.936 13.202 22.736 1.00 51.18 O HETATM 3618 O HOH B 359 -1.401 13.482 16.948 1.00 56.29 O HETATM 3619 O HOH B 360 -9.433 28.947 20.837 1.00 53.41 O HETATM 3620 O HOH B 361 -13.954 9.779 17.273 1.00 54.93 O HETATM 3621 O HOH B 362 -24.380 32.390 34.175 1.00 49.96 O HETATM 3622 O HOH B 363 -3.257 26.781 47.283 1.00 60.58 O HETATM 3623 O HOH B 364 -18.095 40.134 16.522 1.00 50.58 O HETATM 3624 O HOH B 365 6.256 39.991 42.600 1.00 56.98 O HETATM 3625 O HOH B 366 -24.321 27.054 10.363 1.00 53.20 O HETATM 3626 O HOH B 367 -11.007 10.293 14.545 1.00 49.75 O HETATM 3627 O HOH B 368 -8.933 31.584 23.185 1.00 51.61 O HETATM 3628 O HOH B 369 -20.303 23.619 41.084 1.00 55.40 O HETATM 3629 O HOH B 370 -0.478 25.129 47.285 1.00 60.86 O HETATM 3630 O HOH B 371 -3.831 39.379 27.074 1.00 53.19 O HETATM 3631 O HOH B 372 -23.897 38.223 12.977 1.00 54.92 O HETATM 3632 O HOH B 373 -14.200 34.587 45.020 1.00 54.76 O HETATM 3633 O HOH B 374 -12.586 12.365 7.942 1.00 68.29 O HETATM 3634 O HOH B 375 18.690 28.898 32.563 1.00 63.68 O HETATM 3635 O HOH B 376 -4.126 26.749 11.339 1.00 49.87 O HETATM 3636 O HOH B 377 -4.654 21.892 48.907 1.00 56.78 O HETATM 3637 O HOH B 378 -5.572 28.093 7.533 1.00 47.93 O HETATM 3638 O HOH B 379 -17.833 43.200 26.089 1.00 51.35 O HETATM 3639 O HOH B 380 -0.101 20.821 16.652 1.00 46.67 O HETATM 3640 O HOH B 381 -19.154 45.508 30.146 1.00 45.89 O CONECT 37 40 CONECT 40 37 41 CONECT 41 40 42 44 CONECT 42 41 43 48 CONECT 43 42 CONECT 44 41 45 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 CONECT 48 42 CONECT 397 403 CONECT 403 397 404 CONECT 404 403 405 407 CONECT 405 404 406 411 CONECT 406 405 CONECT 407 404 408 CONECT 408 407 409 CONECT 409 408 410 CONECT 410 409 CONECT 411 405 CONECT 506 511 CONECT 511 506 512 CONECT 512 511 513 515 CONECT 513 512 514 519 CONECT 514 513 CONECT 515 512 516 CONECT 516 515 517 CONECT 517 516 518 CONECT 518 517 CONECT 519 513 CONECT 537 543 CONECT 543 537 544 CONECT 544 543 545 547 CONECT 545 544 546 551 CONECT 546 545 CONECT 547 544 548 CONECT 548 547 549 CONECT 549 548 550 CONECT 550 549 CONECT 551 545 CONECT 645 652 CONECT 652 645 653 CONECT 653 652 654 656 CONECT 654 653 655 660 CONECT 655 654 CONECT 656 653 657 CONECT 657 656 658 CONECT 658 657 659 CONECT 659 658 CONECT 660 654 CONECT 750 755 CONECT 755 750 756 CONECT 756 755 757 759 CONECT 757 756 758 763 CONECT 758 757 CONECT 759 756 760 CONECT 760 759 761 CONECT 761 760 762 CONECT 762 761 CONECT 763 757 CONECT 1127 1130 CONECT 1130 1127 1131 CONECT 1131 1130 1132 1134 CONECT 1132 1131 1133 1138 CONECT 1133 1132 CONECT 1134 1131 1135 CONECT 1135 1134 1136 CONECT 1136 1135 1137 CONECT 1137 1136 CONECT 1138 1132 CONECT 1277 1284 CONECT 1284 1277 1285 CONECT 1285 1284 1286 1288 CONECT 1286 1285 1287 1292 CONECT 1287 1286 CONECT 1288 1285 1289 CONECT 1289 1288 1290 CONECT 1290 1289 1291 CONECT 1291 1290 CONECT 1292 1286 CONECT 1354 1359 CONECT 1359 1354 1360 CONECT 1360 1359 1361 1363 CONECT 1361 1360 1362 1367 CONECT 1362 1361 CONECT 1363 1360 1364 CONECT 1364 1363 1365 CONECT 1365 1364 1366 CONECT 1366 1365 CONECT 1367 1361 CONECT 1383 1392 CONECT 1392 1383 1393 CONECT 1393 1392 1394 1396 CONECT 1394 1393 1395 1400 CONECT 1395 1394 CONECT 1396 1393 1397 CONECT 1397 1396 1398 CONECT 1398 1397 1399 CONECT 1399 1398 CONECT 1400 1394 CONECT 1658 1661 CONECT 1661 1658 1662 CONECT 1662 1661 1663 1665 CONECT 1663 1662 1664 1669 CONECT 1664 1663 CONECT 1665 1662 1666 CONECT 1666 1665 1667 CONECT 1667 1666 1668 CONECT 1668 1667 CONECT 1669 1663 CONECT 1992 1998 CONECT 1998 1992 1999 CONECT 1999 1998 2000 2002 CONECT 2000 1999 2001 2006 CONECT 2001 2000 CONECT 2002 1999 2003 CONECT 2003 2002 2004 CONECT 2004 2003 2005 CONECT 2005 2004 CONECT 2006 2000 CONECT 2080 2085 CONECT 2085 2080 2086 CONECT 2086 2085 2087 2089 CONECT 2087 2086 2088 2093 CONECT 2088 2087 CONECT 2089 2086 2090 CONECT 2090 2089 2091 CONECT 2091 2090 2092 CONECT 2092 2091 CONECT 2093 2087 CONECT 2111 2117 CONECT 2117 2111 2118 CONECT 2118 2117 2119 2121 CONECT 2119 2118 2120 2125 CONECT 2120 2119 CONECT 2121 2118 2122 CONECT 2122 2121 2123 CONECT 2123 2122 2124 CONECT 2124 2123 CONECT 2125 2119 CONECT 2232 2239 CONECT 2239 2232 2240 CONECT 2240 2239 2241 2243 CONECT 2241 2240 2242 2247 CONECT 2242 2241 CONECT 2243 2240 2244 CONECT 2244 2243 2245 CONECT 2245 2244 2246 CONECT 2246 2245 CONECT 2247 2241 CONECT 2337 2342 CONECT 2342 2337 2343 CONECT 2343 2342 2344 2346 CONECT 2344 2343 2345 2350 CONECT 2345 2344 CONECT 2346 2343 2347 CONECT 2347 2346 2348 CONECT 2348 2347 2349 CONECT 2349 2348 CONECT 2350 2344 CONECT 2712 2715 CONECT 2715 2712 2716 CONECT 2716 2715 2717 2719 CONECT 2717 2716 2718 2723 CONECT 2718 2717 CONECT 2719 2716 2720 CONECT 2720 2719 2721 CONECT 2721 2720 2722 CONECT 2722 2721 CONECT 2723 2717 CONECT 2859 2866 CONECT 2866 2859 2867 CONECT 2867 2866 2868 2870 CONECT 2868 2867 2869 2874 CONECT 2869 2868 CONECT 2870 2867 2871 CONECT 2871 2870 2872 CONECT 2872 2871 2873 CONECT 2873 2872 CONECT 2874 2868 CONECT 2936 2941 CONECT 2941 2936 2942 CONECT 2942 2941 2943 2945 CONECT 2943 2942 2944 2949 CONECT 2944 2943 CONECT 2945 2942 2946 CONECT 2946 2945 2947 CONECT 2947 2946 2948 CONECT 2948 2947 CONECT 2949 2943 CONECT 2965 2974 CONECT 2974 2965 2975 CONECT 2975 2974 2976 2978 CONECT 2976 2975 2977 2982 CONECT 2977 2976 CONECT 2978 2975 2979 CONECT 2979 2978 2980 CONECT 2980 2979 2981 CONECT 2981 2980 CONECT 2982 2976 CONECT 3232 3233 3234 CONECT 3233 3232 CONECT 3234 3232 3235 CONECT 3235 3234 CONECT 3236 3237 3238 CONECT 3237 3236 CONECT 3238 3236 3239 CONECT 3239 3238 CONECT 3240 3241 3242 CONECT 3241 3240 CONECT 3242 3240 3243 CONECT 3243 3242 CONECT 3244 3245 3246 CONECT 3245 3244 CONECT 3246 3244 3247 CONECT 3247 3246 CONECT 3248 3249 3250 CONECT 3249 3248 CONECT 3250 3248 3251 CONECT 3251 3250 CONECT 3252 3253 3254 CONECT 3253 3252 CONECT 3254 3252 3255 CONECT 3255 3254 CONECT 3256 3257 3258 CONECT 3257 3256 CONECT 3258 3256 3259 CONECT 3259 3258 CONECT 3260 3261 3262 CONECT 3261 3260 CONECT 3262 3260 3263 CONECT 3263 3262 CONECT 3264 3265 3266 CONECT 3265 3264 CONECT 3266 3264 3267 CONECT 3267 3266 CONECT 3268 3269 3270 CONECT 3269 3268 CONECT 3270 3268 3271 CONECT 3271 3270 CONECT 3272 3273 3274 CONECT 3273 3272 CONECT 3274 3272 3275 CONECT 3275 3274 CONECT 3276 3277 3278 CONECT 3277 3276 CONECT 3278 3276 3279 CONECT 3279 3278 CONECT 3280 3281 3282 CONECT 3281 3280 CONECT 3282 3280 3283 CONECT 3283 3282 CONECT 3284 3285 3286 CONECT 3285 3284 CONECT 3286 3284 3287 CONECT 3287 3286 END