USER MOD reduce.3.24.130724 H: found=0, std=0, add=1069, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER STRUCTURAL PROTEIN 10-DEC-18 6NBU TITLE CRISPR COMPLEX SUBUNIT CSM2 FROM STAPHYLOCOCCUS EPIDERMIDIS RP62A COMPND MOL_ID: 1; COMPND 2 MOLECULE: CRISPR-ASSOCIATED PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SUBUNIT CSM2; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS (STRAIN ATCC 35984 / SOURCE 3 RP62A); SOURCE 4 ORGANISM_TAXID: 176279; SOURCE 5 STRAIN: ATCC 35984 / RP62A; SOURCE 6 GENE: SERP2460; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: ROSETTA (DE3); SOURCE 0 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PMCSG7 KEYWDS CRISPR, STRUCTURAL PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR B.W.DORSEY,L.HUANG,A.MONDRAGON REVDAT 1 13-FEB-19 6NBU 0 JRNL AUTH B.W.DORSEY,L.HUANG,A.MONDRAGON JRNL TITL STRUCTURAL ORGANIZATION OF A TYPE III-A CRISPR EFFECTOR JRNL TITL 2 SUBCOMPLEX DETERMINED BY X-RAY CRYSTALLOGRAPHY AND CRYO-EM JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 2.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0232 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.75 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 3 NUMBER OF REFLECTIONS : 5635 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) : 0.247 REMARK 3 R VALUE (WORKING SET) : 0.245 REMARK 3 FREE R VALUE : 0.294 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.300 REMARK 3 FREE R VALUE TEST SET COUNT : 256 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.75 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.82 REMARK 3 REFLECTION IN BIN (WORKING SET) : 387 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.03 REMARK 3 BIN R VALUE (WORKING SET) : 0.3230 REMARK 3 BIN FREE R VALUE SET COUNT : 22 REMARK 3 BIN FREE R VALUE : 0.3670 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1071 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 76.20 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.59000 REMARK 3 B22 (A**2) : -0.59000 REMARK 3 B33 (A**2) : 1.19000 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): 0.609 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.358 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.939 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.921 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1092 ; 0.014 ; 0.013 REMARK 3 BOND LENGTHS OTHERS (A): 1018 ; 0.034 ; 0.017 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1463 ; 1.689 ; 1.648 REMARK 3 BOND ANGLES OTHERS (DEGREES): 2366 ; 2.222 ; 1.582 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 124 ; 5.509 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 63 ;37.335 ;23.968 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 212 ;17.101 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ; 9.987 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 135 ; 0.116 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1188 ; 0.004 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 240 ; 0.005 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 502 ; 4.029 ; 8.118 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 501 ; 4.008 ; 8.112 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 624 ; 5.607 ;12.151 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 625 ; 5.602 ;12.158 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 590 ; 5.093 ; 8.459 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 591 ; 5.089 ; 8.460 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 840 ; 6.718 ;12.547 REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 1297 ; 7.333 ;93.350 REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 1298 ; 7.338 ;93.412 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 6NBU COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-DEC-18. REMARK 100 THE DEPOSITION ID IS D_1000237741. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 09-JUN-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 21-ID-G REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97856 REMARK 200 MONOCHROMATOR : C(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : RAYONIX MX-300 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : AIMLESS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 5931 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.750 REMARK 200 RESOLUTION RANGE LOW (A) : 77.780 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 6.600 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 22.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.75 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.88 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.8 REMARK 200 DATA REDUNDANCY IN SHELL : 5.00 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.800 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 57.43 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.89 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: TRIS, ETHANOL, PH 7.0, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 283K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 34.73600 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 38.88850 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 38.88850 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 17.36800 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 38.88850 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 38.88850 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 52.10400 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 38.88850 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 38.88850 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 17.36800 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 38.88850 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 38.88850 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 52.10400 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 34.73600 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2000 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 14340 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 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 MET A -23 REMARK 465 HIS A -22 REMARK 465 HIS A -21 REMARK 465 HIS A -20 REMARK 465 HIS A -19 REMARK 465 HIS A -18 REMARK 465 HIS A -17 REMARK 465 SER A -16 REMARK 465 SER A -15 REMARK 465 GLY A -14 REMARK 465 VAL A -13 REMARK 465 ASP A -12 REMARK 465 LEU A -11 REMARK 465 GLY A -10 REMARK 465 THR A -9 REMARK 465 VAL A 28 REMARK 465 LYS A 29 REMARK 465 ASP A 30 REMARK 465 ARG A 31 REMARK 465 LYS A 32 REMARK 465 GLY A 33 REMARK 465 LYS A 34 REMARK 465 GLU A 35 REMARK 465 LYS A 36 REMARK 465 GLU A 140 REMARK 465 ASP A 141 DBREF 6NBU A 14 141 UNP Q5HK90 Q5HK90_STAEQ 1 128 SEQADV 6NBU MET A -23 UNP Q5HK90 INITIATING METHIONINE SEQADV 6NBU HIS A -22 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU HIS A -21 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU HIS A -20 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU HIS A -19 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU HIS A -18 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU HIS A -17 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU SER A -16 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU SER A -15 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU GLY A -14 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU VAL A -13 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU ASP A -12 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU LEU A -11 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU GLY A -10 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU THR A -9 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU GLU A -8 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU ASN A -7 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU LEU A -6 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU TYR A -5 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU PHE A -4 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU GLN A -3 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU SER A -2 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU ASN A -1 UNP Q5HK90 EXPRESSION TAG SEQADV 6NBU ALA A 0 UNP Q5HK90 EXPRESSION TAG SEQRES 1 A 152 MET HIS HIS HIS HIS HIS HIS SER SER GLY VAL ASP LEU SEQRES 2 A 152 GLY THR GLU ASN LEU TYR PHE GLN SER ASN ALA MET THR SEQRES 3 A 152 PHE ALA HIS GLU VAL VAL LYS SER ASN VAL LYS ASN VAL SEQRES 4 A 152 LYS ASP ARG LYS GLY LYS GLU LYS GLN VAL LEU PHE ASN SEQRES 5 A 152 GLY LEU THR THR SER LYS LEU ARG ASN LEU MET GLU GLN SEQRES 6 A 152 VAL ASN ARG LEU TYR THR ILE ALA PHE ASN SER ASN GLU SEQRES 7 A 152 ASP GLN LEU ASN GLU GLU PHE ILE ASP GLU LEU GLU TYR SEQRES 8 A 152 LEU LYS ILE LYS PHE TYR TYR GLU ALA GLY ARG GLU LYS SEQRES 9 A 152 SER VAL ASP GLU PHE LEU LYS LYS THR LEU MET PHE PRO SEQRES 10 A 152 ILE ILE ASP ARG VAL ILE LYS LYS GLU SER LYS LYS PHE SEQRES 11 A 152 PHE LEU ASP TYR CYS LYS TYR PHE GLU ALA LEU VAL ALA SEQRES 12 A 152 TYR ALA LYS TYR TYR GLN LYS GLU ASP HELIX 1 AA1 ASN A -1 SER A 23 1 12 HELIX 2 AA2 THR A 45 LYS A 47 5 3 HELIX 3 AA3 LEU A 48 SER A 65 1 18 HELIX 4 AA4 ASN A 71 GLU A 92 1 22 HELIX 5 AA5 GLU A 92 LEU A 103 1 12 HELIX 6 AA6 LEU A 103 GLU A 115 1 13 HELIX 7 AA7 SER A 116 TYR A 137 1 22 SHEET 1 AA1 2 VAL A 25 LYS A 26 0 SHEET 2 AA1 2 VAL A 38 LEU A 39 -1 O VAL A 38 N LYS A 26 CRYST1 77.777 77.777 69.472 90.00 90.00 90.00 P 41 21 2 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 0.012857 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012857 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014394 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 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 101 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.21) USER MOD Set 2.1: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 84 LYS NZ :NH3+ 153:sc= -0.23 (180deg=-0.732) USER MOD Set 3.1: A 44 THR OG1 : rot 170:sc= -1.11! USER MOD Set 3.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 47 LYS NZ :NH3+ -122:sc= -0.835 (180deg=-0.86) USER MOD Set 4.1: A 18 HIS : no HE2:sc= 0.981 K(o=2.3,f=-5.7!) USER MOD Set 4.2: A 137 TYR OH : rot -171:sc= 1.34 USER MOD Set 5.1: A -1 ASN : amide:sc= 0.78 K(o=1.1,f=-6.4!) USER MOD Set 5.2: A 14 MET CE :methyl 159:sc= -0.306 (180deg=-1.2) USER MOD Set 5.3: A 15 THR OG1 : rot 83:sc= 0.625 USER MOD Single : A -2 SER OG : rot 40:sc= 0.058 USER MOD Single : A -3 GLN : amide:sc=-0.000703 K(o=-0.0007,f=-0.93) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 ASN : amide:sc=-0.000286 X(o=-0.00029,f=0) USER MOD Single : A -8 GLU N :NH3+ -146:sc= 0.0669 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= 1.05 (180deg=-0.551!) USER MOD Single : A 23 SER OG : rot -61:sc= 0.0253 USER MOD Single : A 24 ASN : amide:sc= 0.0235 K(o=0.024,f=-2.1!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 41 ASN : amide:sc= -0.859 K(o=-0.86,f=-2.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0424 K(o=-0.042,f=-1.2!) USER MOD Single : A 52 MET CE :methyl 160:sc= -0.653 (180deg=-1.34) USER MOD Single : A 54 GLN : amide:sc= 0.204 K(o=0.2,f=-3.1!) USER MOD Single : A 56 ASN : amide:sc= -0.095 K(o=-0.095,f=-1.7!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0801 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 65 SER OG : rot -90:sc= 0.138 USER MOD Single : A 66 ASN : amide:sc= -0.0108 K(o=-0.011,f=-0.67) USER MOD Single : A 69 GLN : amide:sc= -0.215 K(o=-0.22,f=-1.4) USER MOD Single : A 71 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.4!) USER MOD Single : A 82 LYS NZ :NH3+ 179:sc= 0.161 (180deg=0.158) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -158:sc= -0.222 (180deg=-0.918) USER MOD Single : A 94 SER OG : rot -150:sc= -0.566 USER MOD Single : A 100 LYS NZ :NH3+ -176:sc= 0.285 (180deg=0.274) USER MOD Single : A 102 THR OG1 : rot -93:sc= 0.877 USER MOD Single : A 104 MET CE :methyl 163:sc= -0.0211 (180deg=-0.313) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 177:sc= -0.127 (180deg=-0.155) USER MOD Single : A 116 SER OG : rot 176:sc= -1.01 USER MOD Single : A 117 LYS NZ :NH3+ 143:sc= 0.854 (180deg=0.235) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot -10:sc= -0.128 USER MOD Single : A 124 CYS SG : rot 120:sc= -0.301 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot 164:sc= 0.993 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 GLN : amide:sc= -1.68 K(o=-1.7,f=-2.7) USER MOD Single : A 139 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0454) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A -8 -4.105 13.239 7.585 1.00112.61 N ATOM 2 CA GLU A -8 -2.886 12.447 7.447 1.00121.29 C ATOM 3 C GLU A -8 -1.702 13.393 7.228 1.00123.56 C ATOM 4 O GLU A -8 -1.743 14.543 7.667 1.00119.97 O ATOM 5 CB GLU A -8 -3.030 11.429 6.301 1.00119.36 C ATOM 6 CG GLU A -8 -2.090 10.223 6.355 1.00122.94 C ATOM 7 CD GLU A -8 -1.557 9.943 7.751 1.00128.73 C ATOM 8 OE1 GLU A -8 -2.366 9.709 8.677 1.00133.33 O ATOM 9 OE2 GLU A -8 -0.319 9.960 7.922 1.00124.47 O ATOM 0 H1 GLU A -8 -4.655 12.840 8.159 1.00112.61 H new ATOM 0 H2 GLU A -8 -3.899 14.051 7.887 1.00112.61 H new ATOM 0 H3 GLU A -8 -4.504 13.310 6.793 1.00112.61 H new ATOM 0 HA GLU A -8 -2.728 11.937 8.257 1.00121.29 H new ATOM 0 HB2 GLU A -8 -3.944 11.104 6.293 1.00119.36 H new ATOM 0 HB3 GLU A -8 -2.886 11.892 5.461 1.00119.36 H new ATOM 0 HG2 GLU A -8 -2.560 9.439 6.031 1.00122.94 H new ATOM 0 HG3 GLU A -8 -1.344 10.375 5.754 1.00122.94 H new ATOM 10 N ASN A -7 -0.650 12.919 6.563 1.00122.50 N ATOM 11 CA ASN A -7 0.536 13.721 6.304 1.00117.35 C ATOM 12 C ASN A -7 0.884 13.644 4.824 1.00115.91 C ATOM 13 O ASN A -7 0.238 12.941 4.044 1.00121.46 O ATOM 14 CB ASN A -7 1.717 13.278 7.175 1.00124.68 C ATOM 15 CG ASN A -7 1.658 13.861 8.574 1.00126.18 C ATOM 16 OD1 ASN A -7 1.881 15.058 8.770 1.00123.13 O ATOM 17 ND2 ASN A -7 1.367 13.015 9.557 1.00127.24 N ATOM 0 H ASN A -7 -0.607 12.119 6.249 1.00122.50 H new ATOM 0 HA ASN A -7 0.346 14.643 6.538 1.00117.35 H new ATOM 0 HB2 ASN A -7 1.728 12.310 7.232 1.00124.68 H new ATOM 0 HB3 ASN A -7 2.547 13.547 6.751 1.00124.68 H new ATOM 0 HD21 ASN A -7 1.328 13.296 10.369 1.00127.24 H new ATOM 0 HD22 ASN A -7 1.217 12.187 9.381 1.00127.24 H new ATOM 18 N LEU A -6 1.932 14.369 4.445 1.00113.15 N ATOM 19 CA LEU A -6 2.222 14.663 3.044 1.00108.04 C ATOM 20 C LEU A -6 3.714 14.464 2.805 1.00112.75 C ATOM 21 O LEU A -6 4.522 15.353 3.101 1.00109.77 O ATOM 22 CB LEU A -6 1.792 16.083 2.705 1.00108.22 C ATOM 23 CG LEU A -6 2.266 16.705 1.392 1.00102.48 C ATOM 24 CD1 LEU A -6 1.662 15.984 0.201 1.00 97.19 C ATOM 25 CD2 LEU A -6 1.918 18.185 1.367 1.00 97.63 C ATOM 0 H LEU A -6 2.499 14.707 4.997 1.00113.15 H new ATOM 0 HA LEU A -6 1.725 14.063 2.466 1.00108.04 H new ATOM 0 HB2 LEU A -6 0.822 16.104 2.706 1.00108.22 H new ATOM 0 HB3 LEU A -6 2.089 16.659 3.426 1.00108.22 H new ATOM 0 HG LEU A -6 3.230 16.611 1.332 1.00102.48 H new ATOM 0 HD11 LEU A -6 1.976 16.395 -0.620 1.00 97.19 H new ATOM 0 HD12 LEU A -6 1.929 15.051 0.218 1.00 97.19 H new ATOM 0 HD13 LEU A -6 0.695 16.044 0.243 1.00 97.19 H new ATOM 0 HD21 LEU A -6 2.221 18.575 0.532 1.00 97.63 H new ATOM 0 HD22 LEU A -6 0.957 18.293 1.444 1.00 97.63 H new ATOM 0 HD23 LEU A -6 2.354 18.633 2.109 1.00 97.63 H new ATOM 26 N TYR A -5 4.072 13.309 2.249 1.00112.08 N ATOM 27 CA TYR A -5 5.461 12.927 2.050 1.00114.81 C ATOM 28 C TYR A -5 5.675 12.571 0.583 1.00113.03 C ATOM 29 O TYR A -5 4.720 12.297 -0.147 1.00111.33 O ATOM 30 CB TYR A -5 5.835 11.773 2.992 1.00113.98 C ATOM 31 CG TYR A -5 5.561 12.122 4.445 1.00119.97 C ATOM 32 CD1 TYR A -5 5.922 13.367 4.956 1.00120.78 C ATOM 33 CD2 TYR A -5 4.922 11.227 5.298 1.00124.43 C ATOM 34 CE1 TYR A -5 5.670 13.709 6.276 1.00124.25 C ATOM 35 CE2 TYR A -5 4.666 11.558 6.625 1.00123.95 C ATOM 36 CZ TYR A -5 5.043 12.803 7.106 1.00130.30 C ATOM 37 OH TYR A -5 4.799 13.155 8.416 1.00135.20 O ATOM 0 H TYR A -5 3.507 12.721 1.975 1.00112.08 H new ATOM 0 HA TYR A -5 6.047 13.668 2.268 1.00114.81 H new ATOM 0 HB2 TYR A -5 5.331 10.980 2.749 1.00113.98 H new ATOM 0 HB3 TYR A -5 6.774 11.557 2.882 1.00113.98 H new ATOM 0 HD1 TYR A -5 6.341 13.983 4.399 1.00120.78 H new ATOM 0 HD2 TYR A -5 4.662 10.394 4.976 1.00124.43 H new ATOM 0 HE1 TYR A -5 5.922 14.544 6.600 1.00124.25 H new ATOM 0 HE2 TYR A -5 4.244 10.948 7.186 1.00123.95 H new ATOM 0 HH TYR A -5 4.415 12.520 8.810 1.00135.20 H new ATOM 38 N PHE A -4 6.939 12.586 0.150 1.00111.18 N ATOM 39 CA PHE A -4 7.257 12.669 -1.272 1.00113.28 C ATOM 40 C PHE A -4 8.299 11.627 -1.671 1.00119.05 C ATOM 41 O PHE A -4 8.811 10.867 -0.842 1.00118.74 O ATOM 42 CB PHE A -4 7.754 14.073 -1.633 1.00107.01 C ATOM 43 CG PHE A -4 6.763 15.162 -1.337 1.00104.32 C ATOM 44 CD1 PHE A -4 6.669 15.709 -0.060 1.00103.35 C ATOM 45 CD2 PHE A -4 5.935 15.648 -2.333 1.00 95.39 C ATOM 46 CE1 PHE A -4 5.763 16.721 0.219 1.00 94.65 C ATOM 47 CE2 PHE A -4 5.030 16.665 -2.061 1.00 96.30 C ATOM 48 CZ PHE A -4 4.948 17.203 -0.781 1.00 92.01 C ATOM 0 H PHE A -4 7.625 12.549 0.667 1.00111.18 H new ATOM 0 HA PHE A -4 6.442 12.486 -1.765 1.00113.28 H new ATOM 0 HB2 PHE A -4 8.574 14.252 -1.146 1.00107.01 H new ATOM 0 HB3 PHE A -4 7.975 14.096 -2.577 1.00107.01 H new ATOM 0 HD1 PHE A -4 7.222 15.391 0.616 1.00103.35 H new ATOM 0 HD2 PHE A -4 5.985 15.291 -3.190 1.00 95.39 H new ATOM 0 HE1 PHE A -4 5.706 17.073 1.078 1.00 94.65 H new ATOM 0 HE2 PHE A -4 4.477 16.987 -2.736 1.00 96.30 H new ATOM 0 HZ PHE A -4 4.344 17.887 -0.601 1.00 92.01 H new ATOM 49 N GLN A -3 8.636 11.634 -2.967 1.00118.69 N ATOM 50 CA GLN A -3 9.420 10.581 -3.618 1.00121.70 C ATOM 51 C GLN A -3 10.867 11.041 -3.786 1.00119.07 C ATOM 52 O GLN A -3 11.194 11.747 -4.744 1.00114.10 O ATOM 53 CB GLN A -3 8.815 10.229 -4.977 1.00130.19 C ATOM 54 CG GLN A -3 7.290 10.247 -5.042 1.00135.65 C ATOM 55 CD GLN A -3 6.764 10.006 -6.453 1.00144.10 C ATOM 56 OE1 GLN A -3 7.509 10.109 -7.433 1.00145.13 O ATOM 57 NE2 GLN A -3 5.477 9.678 -6.560 1.00139.90 N ATOM 0 H GLN A -3 8.408 12.267 -3.502 1.00118.69 H new ATOM 0 HA GLN A -3 9.403 9.787 -3.060 1.00121.70 H new ATOM 0 HB2 GLN A -3 9.159 10.851 -5.637 1.00130.19 H new ATOM 0 HB3 GLN A -3 9.124 9.345 -5.232 1.00130.19 H new ATOM 0 HG2 GLN A -3 6.936 9.568 -4.447 1.00135.65 H new ATOM 0 HG3 GLN A -3 6.965 11.103 -4.721 1.00135.65 H new ATOM 0 HE21 GLN A -3 4.989 9.616 -5.855 1.00139.90 H new ATOM 0 HE22 GLN A -3 5.134 9.528 -7.334 1.00139.90 H new ATOM 58 N SER A -2 11.744 10.602 -2.881 1.00119.38 N ATOM 59 CA SER A -2 13.155 10.985 -2.884 1.00106.70 C ATOM 60 C SER A -2 14.020 9.779 -3.226 1.00103.66 C ATOM 61 O SER A -2 13.970 8.759 -2.530 1.00106.52 O ATOM 62 CB SER A -2 13.564 11.562 -1.530 1.00100.54 C ATOM 63 OG SER A -2 13.124 10.732 -0.480 1.00113.87 O ATOM 0 H SER A -2 11.532 10.067 -2.241 1.00119.38 H new ATOM 0 HA SER A -2 13.286 11.671 -3.557 1.00106.70 H new ATOM 0 HB2 SER A -2 14.529 11.656 -1.492 1.00100.54 H new ATOM 0 HB3 SER A -2 13.188 12.450 -1.425 1.00100.54 H new ATOM 0 HG SER A -2 13.225 9.927 -0.698 1.00113.87 H new ATOM 64 N ASN A -1 14.830 9.908 -4.275 1.00 98.93 N ATOM 65 CA ASN A -1 15.733 8.838 -4.656 1.00 94.60 C ATOM 66 C ASN A -1 16.830 8.694 -3.602 1.00 94.73 C ATOM 67 O ASN A -1 16.910 9.459 -2.633 1.00 91.13 O ATOM 68 CB ASN A -1 16.287 9.083 -6.064 1.00 93.00 C ATOM 69 CG ASN A -1 17.326 10.199 -6.132 1.00 89.49 C ATOM 70 OD1 ASN A -1 17.588 10.910 -5.163 1.00 84.83 O ATOM 71 ND2 ASN A -1 17.916 10.362 -7.312 1.00 92.17 N ATOM 0 H ASN A -1 14.869 10.607 -4.775 1.00 98.93 H new ATOM 0 HA ASN A -1 15.254 7.996 -4.691 1.00 94.60 H new ATOM 0 HB2 ASN A -1 16.685 8.262 -6.393 1.00 93.00 H new ATOM 0 HB3 ASN A -1 15.552 9.300 -6.658 1.00 93.00 H new ATOM 0 HD21 ASN A -1 18.503 10.981 -7.417 1.00 92.17 H new ATOM 0 HD22 ASN A -1 17.711 9.848 -7.970 1.00 92.17 H new ATOM 72 N ALA A 0 17.690 7.693 -3.799 1.00 88.31 N ATOM 73 CA ALA A 0 18.705 7.382 -2.798 1.00 81.61 C ATOM 74 C ALA A 0 19.715 8.515 -2.661 1.00 79.24 C ATOM 75 O ALA A 0 20.131 8.861 -1.550 1.00 80.50 O ATOM 76 CB ALA A 0 19.409 6.072 -3.157 1.00 86.98 C ATOM 0 H ALA A 0 17.701 7.190 -4.496 1.00 88.31 H new ATOM 0 HA ALA A 0 18.264 7.278 -1.940 1.00 81.61 H new ATOM 0 HB1 ALA A 0 20.082 5.872 -2.488 1.00 86.98 H new ATOM 0 HB2 ALA A 0 18.759 5.353 -3.187 1.00 86.98 H new ATOM 0 HB3 ALA A 0 19.833 6.160 -4.025 1.00 86.98 H new ATOM 77 N MET A 14 20.134 9.089 -3.785 1.00 75.53 N ATOM 78 CA MET A 14 21.125 10.156 -3.771 1.00 80.73 C ATOM 79 C MET A 14 20.643 11.341 -2.935 1.00 83.02 C ATOM 80 O MET A 14 21.359 11.842 -2.051 1.00 77.79 O ATOM 81 CB MET A 14 21.402 10.566 -5.219 1.00 88.65 C ATOM 82 CG MET A 14 22.755 11.198 -5.514 1.00 92.68 C ATOM 83 SD MET A 14 22.983 11.370 -7.306 1.00117.57 S ATOM 84 CE MET A 14 21.383 12.034 -7.802 1.00 93.92 C ATOM 0 H MET A 14 19.854 8.873 -4.569 1.00 75.53 H new ATOM 0 HA MET A 14 21.946 9.843 -3.359 1.00 80.73 H new ATOM 0 HB2 MET A 14 21.309 9.779 -5.778 1.00 88.65 H new ATOM 0 HB3 MET A 14 20.712 11.191 -5.492 1.00 88.65 H new ATOM 0 HG2 MET A 14 22.814 12.067 -5.088 1.00 92.68 H new ATOM 0 HG3 MET A 14 23.464 10.651 -5.141 1.00 92.68 H new ATOM 0 HE1 MET A 14 21.469 12.478 -8.660 1.00 93.92 H new ATOM 0 HE2 MET A 14 20.741 11.311 -7.875 1.00 93.92 H new ATOM 0 HE3 MET A 14 21.077 12.672 -7.138 1.00 93.92 H new ATOM 85 N THR A 15 19.412 11.790 -3.200 1.00 84.18 N ATOM 86 CA THR A 15 18.842 12.920 -2.478 1.00 82.94 C ATOM 87 C THR A 15 18.797 12.658 -0.985 1.00 74.31 C ATOM 88 O THR A 15 19.191 13.507 -0.181 1.00 78.40 O ATOM 89 CB THR A 15 17.434 13.204 -3.002 1.00 84.81 C ATOM 90 OG1 THR A 15 17.508 13.595 -4.377 1.00 86.35 O ATOM 91 CG2 THR A 15 16.759 14.299 -2.184 1.00 74.56 C ATOM 0 H THR A 15 18.894 11.450 -3.796 1.00 84.18 H new ATOM 0 HA THR A 15 19.409 13.693 -2.626 1.00 82.94 H new ATOM 0 HB THR A 15 16.903 12.396 -2.921 1.00 84.81 H new ATOM 0 HG1 THR A 15 17.546 12.910 -4.862 1.00 86.35 H new ATOM 0 HG21 THR A 15 15.869 14.462 -2.533 1.00 74.56 H new ATOM 0 HG22 THR A 15 16.696 14.019 -1.258 1.00 74.56 H new ATOM 0 HG23 THR A 15 17.282 15.114 -2.240 1.00 74.56 H new ATOM 92 N PHE A 16 18.302 11.495 -0.596 1.00 73.53 N ATOM 93 CA PHE A 16 18.160 11.188 0.817 1.00 76.67 C ATOM 94 C PHE A 16 19.507 10.970 1.506 1.00 77.62 C ATOM 95 O PHE A 16 19.652 11.316 2.679 1.00 78.89 O ATOM 96 CB PHE A 16 17.265 9.961 0.975 1.00 86.48 C ATOM 97 CG PHE A 16 17.180 9.449 2.376 1.00 86.54 C ATOM 98 CD1 PHE A 16 16.315 10.033 3.287 1.00 91.31 C ATOM 99 CD2 PHE A 16 17.954 8.379 2.781 1.00 82.50 C ATOM 100 CE1 PHE A 16 16.218 9.559 4.576 1.00 88.68 C ATOM 101 CE2 PHE A 16 17.869 7.898 4.069 1.00 82.33 C ATOM 102 CZ PHE A 16 16.999 8.481 4.967 1.00 91.25 C ATOM 0 H PHE A 16 18.043 10.872 -1.130 1.00 73.53 H new ATOM 0 HA PHE A 16 17.751 11.953 1.252 1.00 76.67 H new ATOM 0 HB2 PHE A 16 16.372 10.181 0.666 1.00 86.48 H new ATOM 0 HB3 PHE A 16 17.598 9.253 0.401 1.00 86.48 H new ATOM 0 HD1 PHE A 16 15.792 10.756 3.024 1.00 91.31 H new ATOM 0 HD2 PHE A 16 18.538 7.979 2.178 1.00 82.50 H new ATOM 0 HE1 PHE A 16 15.634 9.958 5.180 1.00 88.68 H new ATOM 0 HE2 PHE A 16 18.398 7.180 4.333 1.00 82.33 H new ATOM 0 HZ PHE A 16 16.936 8.151 5.834 1.00 91.25 H new ATOM 103 N ALA A 17 20.488 10.379 0.827 1.00 66.52 N ATOM 104 CA ALA A 17 21.830 10.342 1.394 1.00 74.39 C ATOM 105 C ALA A 17 22.300 11.745 1.718 1.00 72.27 C ATOM 106 O ALA A 17 22.768 12.021 2.834 1.00 74.33 O ATOM 107 CB ALA A 17 22.816 9.663 0.431 1.00 67.23 C ATOM 0 H ALA A 17 20.401 10.004 0.058 1.00 66.52 H new ATOM 0 HA ALA A 17 21.798 9.822 2.212 1.00 74.39 H new ATOM 0 HB1 ALA A 17 23.700 9.650 0.829 1.00 67.23 H new ATOM 0 HB2 ALA A 17 22.526 8.753 0.259 1.00 67.23 H new ATOM 0 HB3 ALA A 17 22.845 10.156 -0.404 1.00 67.23 H new ATOM 108 N HIS A 18 22.209 12.643 0.733 1.00 71.07 N ATOM 109 CA HIS A 18 22.667 13.999 0.956 1.00 70.25 C ATOM 110 C HIS A 18 21.959 14.601 2.155 1.00 72.04 C ATOM 111 O HIS A 18 22.595 15.221 3.015 1.00 69.81 O ATOM 112 CB HIS A 18 22.438 14.839 -0.296 1.00 77.69 C ATOM 113 CG HIS A 18 23.230 16.108 -0.320 1.00 84.26 C ATOM 114 ND1 HIS A 18 23.239 16.967 -1.402 1.00 89.84 N ATOM 115 CD2 HIS A 18 24.050 16.663 0.603 1.00 81.89 C ATOM 116 CE1 HIS A 18 24.027 17.994 -1.141 1.00 86.45 C ATOM 117 NE2 HIS A 18 24.533 17.834 0.070 1.00 84.84 N ATOM 0 H HIS A 18 21.892 12.485 -0.051 1.00 71.07 H new ATOM 0 HA HIS A 18 23.618 13.987 1.144 1.00 70.25 H new ATOM 0 HB2 HIS A 18 22.665 14.310 -1.077 1.00 77.69 H new ATOM 0 HB3 HIS A 18 21.495 15.054 -0.364 1.00 77.69 H new ATOM 0 HD1 HIS A 18 22.800 16.851 -2.132 1.00 89.84 H new ATOM 0 HD2 HIS A 18 24.250 16.316 1.442 1.00 81.89 H new ATOM 0 HE1 HIS A 18 24.197 18.708 -1.712 1.00 86.45 H new ATOM 118 N GLU A 19 20.646 14.375 2.243 1.00 69.41 N ATOM 119 CA GLU A 19 19.867 14.949 3.325 1.00 68.85 C ATOM 120 C GLU A 19 20.332 14.425 4.672 1.00 68.55 C ATOM 121 O GLU A 19 20.620 15.212 5.574 1.00 73.52 O ATOM 122 CB GLU A 19 18.380 14.666 3.105 1.00 80.26 C ATOM 123 CG GLU A 19 17.451 15.600 3.884 1.00 80.85 C ATOM 124 CD GLU A 19 17.901 17.061 3.786 1.00 95.05 C ATOM 125 OE1 GLU A 19 17.928 17.612 2.655 1.00 90.47 O ATOM 126 OE2 GLU A 19 18.257 17.646 4.836 1.00 93.15 O ATOM 0 H GLU A 19 20.197 13.896 1.688 1.00 69.41 H new ATOM 0 HA GLU A 19 20.001 15.910 3.327 1.00 68.85 H new ATOM 0 HB2 GLU A 19 18.182 14.742 2.159 1.00 80.26 H new ATOM 0 HB3 GLU A 19 18.192 13.750 3.361 1.00 80.26 H new ATOM 0 HG2 GLU A 19 16.547 15.516 3.542 1.00 80.85 H new ATOM 0 HG3 GLU A 19 17.428 15.330 4.815 1.00 80.85 H new ATOM 127 N VAL A 20 20.415 13.098 4.832 1.00 69.47 N ATOM 128 CA VAL A 20 20.854 12.515 6.108 1.00 69.85 C ATOM 129 C VAL A 20 22.212 13.063 6.515 1.00 70.10 C ATOM 130 O VAL A 20 22.398 13.563 7.641 1.00 71.23 O ATOM 131 CB VAL A 20 20.899 10.978 6.035 1.00 71.79 C ATOM 132 CG1 VAL A 20 21.168 10.425 7.414 1.00 78.14 C ATOM 133 CG2 VAL A 20 19.623 10.429 5.552 1.00 79.90 C ATOM 0 H VAL A 20 20.224 12.524 4.221 1.00 69.47 H new ATOM 0 HA VAL A 20 20.204 12.766 6.783 1.00 69.85 H new ATOM 0 HB VAL A 20 21.602 10.725 5.417 1.00 71.79 H new ATOM 0 HG11 VAL A 20 21.197 9.456 7.374 1.00 78.14 H new ATOM 0 HG12 VAL A 20 22.019 10.761 7.737 1.00 78.14 H new ATOM 0 HG13 VAL A 20 20.461 10.702 8.018 1.00 78.14 H new ATOM 0 HG21 VAL A 20 19.680 9.461 5.516 1.00 79.90 H new ATOM 0 HG22 VAL A 20 18.910 10.688 6.156 1.00 79.90 H new ATOM 0 HG23 VAL A 20 19.437 10.775 4.665 1.00 79.90 H new ATOM 134 N VAL A 21 23.193 12.971 5.614 1.00 64.27 N ATOM 135 CA VAL A 21 24.542 13.401 5.955 1.00 70.06 C ATOM 136 C VAL A 21 24.546 14.879 6.356 1.00 71.62 C ATOM 137 O VAL A 21 24.951 15.226 7.466 1.00 72.68 O ATOM 138 CB VAL A 21 25.527 13.114 4.808 1.00 75.94 C ATOM 139 CG1 VAL A 21 26.907 13.660 5.132 1.00 65.68 C ATOM 140 CG2 VAL A 21 25.619 11.615 4.546 1.00 70.71 C ATOM 0 H VAL A 21 23.097 12.668 4.815 1.00 64.27 H new ATOM 0 HA VAL A 21 24.844 12.886 6.720 1.00 70.06 H new ATOM 0 HB VAL A 21 25.194 13.557 4.012 1.00 75.94 H new ATOM 0 HG11 VAL A 21 27.511 13.469 4.398 1.00 65.68 H new ATOM 0 HG12 VAL A 21 26.853 14.619 5.264 1.00 65.68 H new ATOM 0 HG13 VAL A 21 27.239 13.241 5.941 1.00 65.68 H new ATOM 0 HG21 VAL A 21 26.243 11.451 3.822 1.00 70.71 H new ATOM 0 HG22 VAL A 21 25.929 11.165 5.347 1.00 70.71 H new ATOM 0 HG23 VAL A 21 24.744 11.275 4.302 1.00 70.71 H new ATOM 141 N LYS A 22 24.066 15.761 5.461 1.00 71.76 N ATOM 142 CA LYS A 22 24.123 17.194 5.757 1.00 77.30 C ATOM 143 C LYS A 22 23.255 17.576 6.950 1.00 78.74 C ATOM 144 O LYS A 22 23.531 18.586 7.604 1.00 80.79 O ATOM 145 CB LYS A 22 23.721 18.034 4.536 1.00 81.39 C ATOM 146 CG LYS A 22 22.244 18.459 4.483 1.00 89.31 C ATOM 147 CD LYS A 22 21.996 19.563 3.451 1.00 92.38 C ATOM 148 CE LYS A 22 20.515 19.655 3.064 1.00102.26 C ATOM 149 NZ LYS A 22 19.604 19.699 4.250 1.00103.98 N ATOM 0 H LYS A 22 23.716 15.554 4.703 1.00 71.76 H new ATOM 0 HA LYS A 22 25.046 17.386 5.985 1.00 77.30 H new ATOM 0 HB2 LYS A 22 24.272 18.832 4.516 1.00 81.39 H new ATOM 0 HB3 LYS A 22 23.925 17.528 3.734 1.00 81.39 H new ATOM 0 HG2 LYS A 22 21.695 17.689 4.268 1.00 89.31 H new ATOM 0 HG3 LYS A 22 21.967 18.769 5.359 1.00 89.31 H new ATOM 0 HD2 LYS A 22 22.290 20.414 3.811 1.00 92.38 H new ATOM 0 HD3 LYS A 22 22.528 19.391 2.658 1.00 92.38 H new ATOM 0 HE2 LYS A 22 20.375 20.449 2.525 1.00102.26 H new ATOM 0 HE3 LYS A 22 20.282 18.893 2.511 1.00102.26 H new ATOM 0 HZ1 LYS A 22 18.827 20.062 4.014 1.00103.98 H new ATOM 0 HZ2 LYS A 22 19.466 18.872 4.549 1.00103.98 H new ATOM 0 HZ3 LYS A 22 19.977 20.188 4.893 1.00103.98 H new ATOM 150 N SER A 23 22.242 16.790 7.269 1.00 70.33 N ATOM 151 CA SER A 23 21.462 17.061 8.454 1.00 72.68 C ATOM 152 C SER A 23 22.122 16.524 9.703 1.00 78.67 C ATOM 153 O SER A 23 21.606 16.737 10.807 1.00 77.19 O ATOM 154 CB SER A 23 20.065 16.460 8.310 1.00 77.35 C ATOM 155 OG SER A 23 19.999 15.208 8.954 1.00 77.16 O ATOM 0 H SER A 23 21.993 16.102 6.817 1.00 70.33 H new ATOM 0 HA SER A 23 21.398 18.025 8.545 1.00 72.68 H new ATOM 0 HB2 SER A 23 19.407 17.062 8.692 1.00 77.35 H new ATOM 0 HB3 SER A 23 19.845 16.359 7.371 1.00 77.35 H new ATOM 0 HG SER A 23 20.552 14.682 8.602 1.00 77.16 H new ATOM 156 N ASN A 24 23.225 15.794 9.561 1.00 83.01 N ATOM 157 CA ASN A 24 23.964 15.345 10.733 1.00 82.26 C ATOM 158 C ASN A 24 25.327 16.021 10.859 1.00 78.78 C ATOM 159 O ASN A 24 26.248 15.475 11.467 1.00 76.46 O ATOM 160 CB ASN A 24 24.076 13.826 10.735 1.00 68.47 C ATOM 161 CG ASN A 24 22.842 13.176 11.311 1.00 69.62 C ATOM 162 OD1 ASN A 24 22.723 13.009 12.520 1.00 76.13 O ATOM 163 ND2 ASN A 24 21.902 12.842 10.458 1.00 65.72 N ATOM 0 H ASN A 24 23.557 15.552 8.806 1.00 83.01 H new ATOM 0 HA ASN A 24 23.463 15.614 11.519 1.00 82.26 H new ATOM 0 HB2 ASN A 24 24.215 13.510 9.828 1.00 68.47 H new ATOM 0 HB3 ASN A 24 24.853 13.559 11.251 1.00 68.47 H new ATOM 0 HD21 ASN A 24 21.169 12.492 10.741 1.00 65.72 H new ATOM 0 HD22 ASN A 24 22.019 12.973 9.616 1.00 65.72 H new ATOM 164 N VAL A 25 25.459 17.220 10.309 1.00 80.68 N ATOM 165 CA VAL A 25 26.538 18.133 10.674 1.00 85.82 C ATOM 166 C VAL A 25 25.989 19.000 11.800 1.00 89.01 C ATOM 167 O VAL A 25 25.086 19.814 11.596 1.00 97.70 O ATOM 168 CB VAL A 25 27.010 18.974 9.485 1.00 88.84 C ATOM 169 CG1 VAL A 25 28.103 19.937 9.925 1.00 95.29 C ATOM 170 CG2 VAL A 25 27.504 18.072 8.346 1.00 81.70 C ATOM 0 H VAL A 25 24.924 17.530 9.711 1.00 80.68 H new ATOM 0 HA VAL A 25 27.325 17.643 10.960 1.00 85.82 H new ATOM 0 HB VAL A 25 26.259 19.491 9.153 1.00 88.84 H new ATOM 0 HG11 VAL A 25 28.395 20.465 9.165 1.00 95.29 H new ATOM 0 HG12 VAL A 25 27.757 20.526 10.614 1.00 95.29 H new ATOM 0 HG13 VAL A 25 28.854 19.435 10.277 1.00 95.29 H new ATOM 0 HG21 VAL A 25 27.799 18.621 7.603 1.00 81.70 H new ATOM 0 HG22 VAL A 25 28.244 17.530 8.660 1.00 81.70 H new ATOM 0 HG23 VAL A 25 26.782 17.494 8.054 1.00 81.70 H new ATOM 171 N LYS A 26 26.504 18.805 13.003 1.00 93.21 N ATOM 172 CA LYS A 26 26.050 19.535 14.171 1.00 86.22 C ATOM 173 C LYS A 26 27.192 20.393 14.698 1.00 94.88 C ATOM 174 O LYS A 26 28.315 20.347 14.191 1.00 98.53 O ATOM 175 CB LYS A 26 25.521 18.561 15.230 1.00 85.32 C ATOM 176 CG LYS A 26 24.526 17.555 14.655 1.00 86.06 C ATOM 177 CD LYS A 26 23.729 16.816 15.720 1.00 93.92 C ATOM 178 CE LYS A 26 22.658 15.929 15.086 1.00 98.92 C ATOM 179 NZ LYS A 26 21.953 15.051 16.076 1.00101.95 N ATOM 0 H LYS A 26 27.132 18.240 13.165 1.00 93.21 H new ATOM 0 HA LYS A 26 25.316 20.123 13.934 1.00 86.22 H new ATOM 0 HB2 LYS A 26 26.266 18.083 15.627 1.00 85.32 H new ATOM 0 HB3 LYS A 26 25.094 19.063 15.942 1.00 85.32 H new ATOM 0 HG2 LYS A 26 23.912 18.019 14.065 1.00 86.06 H new ATOM 0 HG3 LYS A 26 25.006 16.909 14.114 1.00 86.06 H new ATOM 0 HD2 LYS A 26 24.327 16.273 16.257 1.00 93.92 H new ATOM 0 HD3 LYS A 26 23.312 17.455 16.318 1.00 93.92 H new ATOM 0 HE2 LYS A 26 22.005 16.490 14.639 1.00 98.92 H new ATOM 0 HE3 LYS A 26 23.069 15.373 14.405 1.00 98.92 H new ATOM 0 HZ1 LYS A 26 21.343 14.558 15.655 1.00101.95 H new ATOM 0 HZ2 LYS A 26 22.544 14.516 16.472 1.00101.95 H new ATOM 0 HZ3 LYS A 26 21.553 15.557 16.690 1.00101.95 H new ATOM 180 N ASN A 27 26.896 21.204 15.708 1.00103.27 N ATOM 181 CA ASN A 27 27.908 22.104 16.246 1.00103.25 C ATOM 182 C ASN A 27 28.381 21.693 17.642 1.00 98.01 C ATOM 183 O ASN A 27 29.521 21.969 18.021 1.00 98.68 O ATOM 184 CB ASN A 27 27.374 23.531 16.274 1.00107.59 C ATOM 185 CG ASN A 27 26.983 24.030 14.901 1.00109.58 C ATOM 186 OD1 ASN A 27 25.800 24.045 14.546 1.00106.41 O ATOM 187 ND2 ASN A 27 27.978 24.435 14.113 1.00110.60 N ATOM 0 H ASN A 27 26.127 21.249 16.091 1.00103.27 H new ATOM 0 HA ASN A 27 28.678 22.051 15.658 1.00103.25 H new ATOM 0 HB2 ASN A 27 26.604 23.573 16.862 1.00107.59 H new ATOM 0 HB3 ASN A 27 28.049 24.119 16.648 1.00107.59 H new ATOM 0 HD21 ASN A 27 27.809 24.722 13.320 1.00110.60 H new ATOM 0 HD22 ASN A 27 28.789 24.409 14.397 1.00110.60 H new ATOM 188 N GLN A 37 32.696 21.899 14.531 1.00102.25 N ATOM 189 CA GLN A 37 31.731 21.176 13.704 1.00103.43 C ATOM 190 C GLN A 37 32.144 19.719 13.525 1.00102.76 C ATOM 191 O GLN A 37 33.275 19.422 13.139 1.00103.22 O ATOM 192 CB GLN A 37 31.575 21.844 12.336 1.00108.89 C ATOM 193 CG GLN A 37 30.365 22.770 12.217 1.00107.40 C ATOM 194 CD GLN A 37 30.096 23.210 10.781 1.00109.46 C ATOM 195 OE1 GLN A 37 30.938 23.049 9.896 1.00109.84 O ATOM 196 NE2 GLN A 37 28.914 23.763 10.548 1.00115.56 N ATOM 0 HA GLN A 37 30.877 21.201 14.163 1.00103.43 H new ATOM 0 HB2 GLN A 37 32.378 22.353 12.144 1.00108.89 H new ATOM 0 HB3 GLN A 37 31.508 21.154 11.658 1.00108.89 H new ATOM 0 HG2 GLN A 37 29.581 22.317 12.564 1.00107.40 H new ATOM 0 HG3 GLN A 37 30.508 23.554 12.770 1.00107.40 H new ATOM 0 HE21 GLN A 37 28.350 23.860 11.190 1.00115.56 H new ATOM 0 HE22 GLN A 37 28.711 24.025 9.755 1.00115.56 H new ATOM 197 N VAL A 38 31.224 18.801 13.815 1.00100.29 N ATOM 198 CA VAL A 38 31.508 17.377 13.717 1.00 90.62 C ATOM 199 C VAL A 38 30.409 16.699 12.915 1.00 86.29 C ATOM 200 O VAL A 38 29.279 17.189 12.803 1.00 84.94 O ATOM 201 CB VAL A 38 31.657 16.698 15.099 1.00 87.19 C ATOM 202 CG1 VAL A 38 32.654 17.439 15.956 1.00 86.12 C ATOM 203 CG2 VAL A 38 30.313 16.585 15.794 1.00 88.46 C ATOM 0 H VAL A 38 30.425 18.987 14.072 1.00100.29 H new ATOM 0 HA VAL A 38 32.362 17.280 13.267 1.00 90.62 H new ATOM 0 HB VAL A 38 31.995 15.799 14.960 1.00 87.19 H new ATOM 0 HG11 VAL A 38 32.732 16.998 16.816 1.00 86.12 H new ATOM 0 HG12 VAL A 38 33.518 17.444 15.516 1.00 86.12 H new ATOM 0 HG13 VAL A 38 32.353 18.352 16.087 1.00 86.12 H new ATOM 0 HG21 VAL A 38 30.430 16.157 16.657 1.00 88.46 H new ATOM 0 HG22 VAL A 38 29.938 17.471 15.921 1.00 88.46 H new ATOM 0 HG23 VAL A 38 29.710 16.055 15.249 1.00 88.46 H new ATOM 204 N LEU A 39 30.758 15.544 12.368 1.00 79.45 N ATOM 205 CA LEU A 39 29.885 14.762 11.508 1.00 69.36 C ATOM 206 C LEU A 39 29.503 13.497 12.247 1.00 68.71 C ATOM 207 O LEU A 39 30.382 12.722 12.638 1.00 74.53 O ATOM 208 CB LEU A 39 30.592 14.428 10.198 1.00 75.46 C ATOM 209 CG LEU A 39 29.781 13.653 9.167 1.00 81.31 C ATOM 210 CD1 LEU A 39 28.631 14.514 8.629 1.00 80.30 C ATOM 211 CD2 LEU A 39 30.684 13.175 8.046 1.00 73.18 C ATOM 0 H LEU A 39 31.529 15.184 12.490 1.00 79.45 H new ATOM 0 HA LEU A 39 29.087 15.270 11.291 1.00 69.36 H new ATOM 0 HB2 LEU A 39 30.886 15.258 9.791 1.00 75.46 H new ATOM 0 HB3 LEU A 39 31.389 13.915 10.405 1.00 75.46 H new ATOM 0 HG LEU A 39 29.391 12.874 9.593 1.00 81.31 H new ATOM 0 HD11 LEU A 39 28.125 14.007 7.975 1.00 80.30 H new ATOM 0 HD12 LEU A 39 28.048 14.769 9.361 1.00 80.30 H new ATOM 0 HD13 LEU A 39 28.992 15.311 8.211 1.00 80.30 H new ATOM 0 HD21 LEU A 39 30.159 12.683 7.395 1.00 73.18 H new ATOM 0 HD22 LEU A 39 31.098 13.939 7.616 1.00 73.18 H new ATOM 0 HD23 LEU A 39 31.373 12.596 8.409 1.00 73.18 H new ATOM 212 N PHE A 40 28.203 13.297 12.447 1.00 65.43 N ATOM 213 CA PHE A 40 27.690 12.175 13.224 1.00 68.54 C ATOM 214 C PHE A 40 28.466 11.955 14.519 1.00 71.98 C ATOM 215 O PHE A 40 28.635 10.810 14.946 1.00 73.24 O ATOM 216 CB PHE A 40 27.723 10.892 12.396 1.00 71.58 C ATOM 217 CG PHE A 40 26.637 10.795 11.368 1.00 72.09 C ATOM 218 CD1 PHE A 40 25.369 10.361 11.715 1.00 68.35 C ATOM 219 CD2 PHE A 40 26.889 11.098 10.048 1.00 69.86 C ATOM 220 CE1 PHE A 40 24.367 10.247 10.760 1.00 69.65 C ATOM 221 CE2 PHE A 40 25.876 10.994 9.094 1.00 71.39 C ATOM 222 CZ PHE A 40 24.617 10.568 9.451 1.00 62.73 C ATOM 0 H PHE A 40 27.591 13.813 12.133 1.00 65.43 H new ATOM 0 HA PHE A 40 26.775 12.398 13.459 1.00 68.54 H new ATOM 0 HB2 PHE A 40 28.582 10.829 11.951 1.00 71.58 H new ATOM 0 HB3 PHE A 40 27.657 10.131 12.994 1.00 71.58 H new ATOM 0 HD1 PHE A 40 25.186 10.143 12.600 1.00 68.35 H new ATOM 0 HD2 PHE A 40 27.739 11.374 9.791 1.00 69.86 H new ATOM 0 HE1 PHE A 40 23.522 9.951 11.010 1.00 69.65 H new ATOM 0 HE2 PHE A 40 26.053 11.215 8.208 1.00 71.39 H new ATOM 0 HZ PHE A 40 23.944 10.499 8.812 1.00 62.73 H new ATOM 223 N ASN A 41 28.942 13.037 15.141 1.00 76.46 N ATOM 224 CA ASN A 41 29.691 12.982 16.396 1.00 82.63 C ATOM 225 C ASN A 41 31.070 12.358 16.170 1.00 80.00 C ATOM 226 O ASN A 41 31.440 11.358 16.792 1.00 86.56 O ATOM 227 CB ASN A 41 28.880 12.233 17.475 1.00 88.10 C ATOM 228 CG ASN A 41 29.673 11.976 18.753 1.00 98.83 C ATOM 229 OD1 ASN A 41 30.142 10.853 18.994 1.00 97.95 O ATOM 230 ND2 ASN A 41 29.843 13.014 19.568 1.00 95.02 N ATOM 0 H ASN A 41 28.836 13.835 14.839 1.00 76.46 H new ATOM 0 HA ASN A 41 29.835 13.885 16.720 1.00 82.63 H new ATOM 0 HB2 ASN A 41 28.087 12.749 17.691 1.00 88.10 H new ATOM 0 HB3 ASN A 41 28.577 11.385 17.113 1.00 88.10 H new ATOM 0 HD21 ASN A 41 30.293 12.921 20.295 1.00 95.02 H new ATOM 0 HD22 ASN A 41 29.503 13.778 19.368 1.00 95.02 H new ATOM 231 N GLY A 42 31.838 12.931 15.256 1.00 79.84 N ATOM 232 CA GLY A 42 33.199 12.486 15.050 1.00 77.16 C ATOM 233 C GLY A 42 33.395 11.379 14.040 1.00 70.77 C ATOM 234 O GLY A 42 34.434 10.715 14.068 1.00 63.04 O ATOM 0 H GLY A 42 31.588 13.578 14.747 1.00 79.84 H new ATOM 0 HA2 GLY A 42 33.730 13.249 14.773 1.00 77.16 H new ATOM 0 HA3 GLY A 42 33.554 12.188 15.902 1.00 77.16 H new ATOM 235 N LEU A 43 32.446 11.165 13.137 1.00 74.68 N ATOM 236 CA LEU A 43 32.703 10.231 12.054 1.00 72.01 C ATOM 237 C LEU A 43 33.793 10.773 11.137 1.00 74.20 C ATOM 238 O LEU A 43 33.938 11.988 10.965 1.00 75.93 O ATOM 239 CB LEU A 43 31.433 9.972 11.258 1.00 66.85 C ATOM 240 CG LEU A 43 31.537 8.705 10.405 1.00 68.83 C ATOM 241 CD1 LEU A 43 31.266 7.496 11.261 1.00 67.01 C ATOM 242 CD2 LEU A 43 30.618 8.719 9.185 1.00 57.67 C ATOM 0 H LEU A 43 31.671 11.538 13.132 1.00 74.68 H new ATOM 0 HA LEU A 43 33.003 9.393 12.438 1.00 72.01 H new ATOM 0 HB2 LEU A 43 30.682 9.890 11.867 1.00 66.85 H new ATOM 0 HB3 LEU A 43 31.251 10.733 10.684 1.00 66.85 H new ATOM 0 HG LEU A 43 32.442 8.669 10.057 1.00 68.83 H new ATOM 0 HD11 LEU A 43 31.332 6.694 10.719 1.00 67.01 H new ATOM 0 HD12 LEU A 43 31.917 7.455 11.979 1.00 67.01 H new ATOM 0 HD13 LEU A 43 30.374 7.559 11.637 1.00 67.01 H new ATOM 0 HD21 LEU A 43 30.729 7.894 8.687 1.00 57.67 H new ATOM 0 HD22 LEU A 43 29.696 8.800 9.475 1.00 57.67 H new ATOM 0 HD23 LEU A 43 30.845 9.472 8.617 1.00 57.67 H new ATOM 243 N THR A 44 34.587 9.849 10.585 1.00 75.17 N ATOM 244 CA THR A 44 35.466 10.076 9.443 1.00 72.98 C ATOM 245 C THR A 44 35.285 8.920 8.471 1.00 75.43 C ATOM 246 O THR A 44 34.658 7.905 8.792 1.00 74.43 O ATOM 247 CB THR A 44 36.948 10.180 9.841 1.00 78.35 C ATOM 248 OG1 THR A 44 37.296 9.095 10.706 1.00 77.44 O ATOM 249 CG2 THR A 44 37.257 11.506 10.520 1.00 76.49 C ATOM 0 H THR A 44 34.626 9.042 10.881 1.00 75.17 H new ATOM 0 HA THR A 44 35.224 10.924 9.040 1.00 72.98 H new ATOM 0 HB THR A 44 37.478 10.133 9.030 1.00 78.35 H new ATOM 0 HG1 THR A 44 38.129 9.075 10.809 1.00 77.44 H new ATOM 0 HG21 THR A 44 38.197 11.537 10.757 1.00 76.49 H new ATOM 0 HG22 THR A 44 37.052 12.235 9.914 1.00 76.49 H new ATOM 0 HG23 THR A 44 36.719 11.592 11.323 1.00 76.49 H new ATOM 250 N THR A 45 35.848 9.061 7.269 1.00 76.50 N ATOM 251 CA THR A 45 35.652 8.004 6.280 1.00 75.49 C ATOM 252 C THR A 45 36.590 6.832 6.510 1.00 74.27 C ATOM 253 O THR A 45 36.229 5.689 6.216 1.00 77.70 O ATOM 254 CB THR A 45 35.829 8.534 4.857 1.00 77.53 C ATOM 255 OG1 THR A 45 37.164 9.026 4.683 1.00 89.37 O ATOM 256 CG2 THR A 45 34.856 9.648 4.594 1.00 75.40 C ATOM 0 H THR A 45 36.326 9.730 7.015 1.00 76.50 H new ATOM 0 HA THR A 45 34.740 7.690 6.387 1.00 75.49 H new ATOM 0 HB THR A 45 35.664 7.809 4.234 1.00 77.53 H new ATOM 0 HG1 THR A 45 37.257 9.315 3.900 1.00 89.37 H new ATOM 0 HG21 THR A 45 34.977 9.977 3.689 1.00 75.40 H new ATOM 0 HG22 THR A 45 33.950 9.318 4.699 1.00 75.40 H new ATOM 0 HG23 THR A 45 35.012 10.370 5.223 1.00 75.40 H new ATOM 257 N SER A 46 37.777 7.085 7.048 1.00 74.35 N ATOM 258 CA SER A 46 38.674 5.986 7.352 1.00 74.80 C ATOM 259 C SER A 46 38.032 4.979 8.299 1.00 75.39 C ATOM 260 O SER A 46 38.449 3.816 8.331 1.00 75.28 O ATOM 261 CB SER A 46 39.968 6.533 7.944 1.00 76.96 C ATOM 262 OG SER A 46 39.738 7.017 9.251 1.00 78.39 O ATOM 0 H SER A 46 38.075 7.868 7.240 1.00 74.35 H new ATOM 0 HA SER A 46 38.871 5.516 6.527 1.00 74.80 H new ATOM 0 HB2 SER A 46 40.643 5.836 7.964 1.00 76.96 H new ATOM 0 HB3 SER A 46 40.312 7.246 7.384 1.00 76.96 H new ATOM 0 HG SER A 46 40.456 7.315 9.570 1.00 78.39 H new ATOM 263 N LYS A 47 37.023 5.399 9.067 1.00 75.01 N ATOM 264 CA LYS A 47 36.329 4.480 9.960 1.00 68.99 C ATOM 265 C LYS A 47 35.413 3.530 9.214 1.00 64.49 C ATOM 266 O LYS A 47 35.068 2.482 9.751 1.00 66.22 O ATOM 267 CB LYS A 47 35.529 5.262 10.999 1.00 68.40 C ATOM 268 CG LYS A 47 36.389 6.082 11.930 1.00 71.63 C ATOM 269 CD LYS A 47 35.576 6.611 13.086 1.00 69.40 C ATOM 270 CE LYS A 47 36.386 7.595 13.913 1.00 69.29 C ATOM 271 NZ LYS A 47 36.825 8.718 13.048 1.00 72.98 N ATOM 0 H LYS A 47 36.730 6.207 9.083 1.00 75.01 H new ATOM 0 HA LYS A 47 37.006 3.944 10.401 1.00 68.99 H new ATOM 0 HB2 LYS A 47 34.908 5.850 10.542 1.00 68.40 H new ATOM 0 HB3 LYS A 47 34.999 4.641 11.523 1.00 68.40 H new ATOM 0 HG2 LYS A 47 37.119 5.539 12.265 1.00 71.63 H new ATOM 0 HG3 LYS A 47 36.786 6.821 11.443 1.00 71.63 H new ATOM 0 HD2 LYS A 47 34.776 7.046 12.752 1.00 69.40 H new ATOM 0 HD3 LYS A 47 35.286 5.874 13.646 1.00 69.40 H new ATOM 0 HE2 LYS A 47 35.852 7.930 14.650 1.00 69.29 H new ATOM 0 HE3 LYS A 47 37.157 7.151 14.300 1.00 69.29 H new ATOM 0 HZ1 LYS A 47 37.713 8.774 13.062 1.00 72.98 H new ATOM 0 HZ2 LYS A 47 36.551 8.575 12.214 1.00 72.98 H new ATOM 0 HZ3 LYS A 47 36.475 9.479 13.349 1.00 72.98 H new ATOM 272 N LEU A 48 35.029 3.865 7.989 1.00 67.18 N ATOM 273 CA LEU A 48 34.117 3.065 7.187 1.00 66.23 C ATOM 274 C LEU A 48 34.837 2.193 6.167 1.00 65.55 C ATOM 275 O LEU A 48 34.188 1.400 5.480 1.00 66.97 O ATOM 276 CB LEU A 48 33.105 3.992 6.491 1.00 66.51 C ATOM 277 CG LEU A 48 32.193 4.697 7.515 1.00 61.25 C ATOM 278 CD1 LEU A 48 31.572 5.963 6.989 1.00 58.93 C ATOM 279 CD2 LEU A 48 31.122 3.760 8.046 1.00 54.97 C ATOM 0 H LEU A 48 35.298 4.580 7.593 1.00 67.18 H new ATOM 0 HA LEU A 48 33.654 2.458 7.785 1.00 66.23 H new ATOM 0 HB2 LEU A 48 33.579 4.656 5.966 1.00 66.51 H new ATOM 0 HB3 LEU A 48 32.563 3.477 5.873 1.00 66.51 H new ATOM 0 HG LEU A 48 32.774 4.954 8.248 1.00 61.25 H new ATOM 0 HD11 LEU A 48 31.012 6.359 7.675 1.00 58.93 H new ATOM 0 HD12 LEU A 48 32.271 6.588 6.742 1.00 58.93 H new ATOM 0 HD13 LEU A 48 31.032 5.759 6.210 1.00 58.93 H new ATOM 0 HD21 LEU A 48 30.567 4.232 8.686 1.00 54.97 H new ATOM 0 HD22 LEU A 48 30.572 3.447 7.311 1.00 54.97 H new ATOM 0 HD23 LEU A 48 31.542 3.002 8.481 1.00 54.97 H new ATOM 280 N ARG A 49 36.164 2.302 6.094 1.00 64.91 N ATOM 281 CA ARG A 49 36.956 1.619 5.078 1.00 71.16 C ATOM 282 C ARG A 49 36.668 0.123 5.021 1.00 66.30 C ATOM 283 O ARG A 49 36.299 -0.412 3.965 1.00 68.17 O ATOM 284 CB ARG A 49 38.444 1.882 5.329 1.00 72.46 C ATOM 285 CG ARG A 49 38.967 3.057 4.511 1.00 75.52 C ATOM 286 CD ARG A 49 40.277 3.614 5.044 1.00 85.70 C ATOM 287 NE ARG A 49 40.606 4.896 4.417 1.00 80.33 N ATOM 288 CZ ARG A 49 41.668 5.635 4.724 1.00 84.94 C ATOM 289 NH1 ARG A 49 42.516 5.229 5.662 1.00 87.45 N ATOM 290 NH2 ARG A 49 41.878 6.784 4.093 1.00 80.44 N ATOM 0 H ARG A 49 36.630 2.778 6.637 1.00 64.91 H new ATOM 0 HA ARG A 49 36.704 1.978 4.213 1.00 71.16 H new ATOM 0 HB2 ARG A 49 38.585 2.059 6.272 1.00 72.46 H new ATOM 0 HB3 ARG A 49 38.953 1.086 5.110 1.00 72.46 H new ATOM 0 HG2 ARG A 49 39.092 2.775 3.591 1.00 75.52 H new ATOM 0 HG3 ARG A 49 38.301 3.762 4.504 1.00 75.52 H new ATOM 0 HD2 ARG A 49 40.215 3.729 6.005 1.00 85.70 H new ATOM 0 HD3 ARG A 49 40.991 2.979 4.880 1.00 85.70 H new ATOM 0 HE ARG A 49 40.076 5.191 3.808 1.00 80.33 H new ATOM 0 HH11 ARG A 49 42.379 4.486 6.073 1.00 87.45 H new ATOM 0 HH12 ARG A 49 43.202 5.709 5.858 1.00 87.45 H new ATOM 0 HH21 ARG A 49 41.328 7.049 3.487 1.00 80.44 H new ATOM 0 HH22 ARG A 49 42.564 7.264 4.290 1.00 80.44 H new ATOM 291 N ASN A 50 36.847 -0.573 6.147 1.00 68.99 N ATOM 292 CA ASN A 50 36.553 -2.004 6.184 1.00 64.92 C ATOM 293 C ASN A 50 35.186 -2.288 5.606 1.00 63.77 C ATOM 294 O ASN A 50 35.003 -3.263 4.872 1.00 71.11 O ATOM 295 CB ASN A 50 36.622 -2.543 7.611 1.00 69.60 C ATOM 296 CG ASN A 50 38.020 -2.642 8.120 1.00 70.64 C ATOM 297 OD1 ASN A 50 38.959 -2.728 7.344 1.00 67.79 O ATOM 298 ND2 ASN A 50 38.173 -2.630 9.433 1.00 76.89 N ATOM 0 H ASN A 50 37.133 -0.241 6.887 1.00 68.99 H new ATOM 0 HA ASN A 50 37.225 -2.451 5.646 1.00 64.92 H new ATOM 0 HB2 ASN A 50 36.108 -1.965 8.197 1.00 69.60 H new ATOM 0 HB3 ASN A 50 36.207 -3.419 7.642 1.00 69.60 H new ATOM 0 HD21 ASN A 50 38.960 -2.684 9.775 1.00 76.89 H new ATOM 0 HD22 ASN A 50 37.485 -2.568 9.946 1.00 76.89 H new ATOM 299 N LEU A 51 34.214 -1.441 5.926 1.00 61.98 N ATOM 300 CA LEU A 51 32.865 -1.625 5.419 1.00 62.07 C ATOM 301 C LEU A 51 32.821 -1.398 3.925 1.00 65.06 C ATOM 302 O LEU A 51 32.263 -2.209 3.178 1.00 68.64 O ATOM 303 CB LEU A 51 31.908 -0.669 6.127 1.00 66.10 C ATOM 304 CG LEU A 51 31.634 -0.968 7.591 1.00 59.32 C ATOM 305 CD1 LEU A 51 30.761 0.109 8.145 1.00 56.50 C ATOM 306 CD2 LEU A 51 30.993 -2.343 7.734 1.00 65.65 C ATOM 0 H LEU A 51 34.317 -0.755 6.435 1.00 61.98 H new ATOM 0 HA LEU A 51 32.589 -2.538 5.596 1.00 62.07 H new ATOM 0 HB2 LEU A 51 32.268 0.229 6.060 1.00 66.10 H new ATOM 0 HB3 LEU A 51 31.063 -0.673 5.650 1.00 66.10 H new ATOM 0 HG LEU A 51 32.464 -0.984 8.093 1.00 59.32 H new ATOM 0 HD11 LEU A 51 30.579 -0.071 9.081 1.00 56.50 H new ATOM 0 HD12 LEU A 51 31.210 0.965 8.062 1.00 56.50 H new ATOM 0 HD13 LEU A 51 29.926 0.134 7.652 1.00 56.50 H new ATOM 0 HD21 LEU A 51 30.822 -2.525 8.671 1.00 65.65 H new ATOM 0 HD22 LEU A 51 30.156 -2.363 7.243 1.00 65.65 H new ATOM 0 HD23 LEU A 51 31.592 -3.018 7.378 1.00 65.65 H new ATOM 307 N MET A 52 33.414 -0.299 3.469 1.00 63.67 N ATOM 308 CA MET A 52 33.412 -0.005 2.047 1.00 62.08 C ATOM 309 C MET A 52 33.961 -1.183 1.258 1.00 65.34 C ATOM 310 O MET A 52 33.329 -1.665 0.311 1.00 70.19 O ATOM 311 CB MET A 52 34.215 1.265 1.791 1.00 62.06 C ATOM 312 CG MET A 52 33.681 2.482 2.520 1.00 57.61 C ATOM 313 SD MET A 52 34.847 3.858 2.575 1.00 62.91 S ATOM 314 CE MET A 52 34.913 4.252 0.838 1.00 67.82 C ATOM 0 H MET A 52 33.817 0.280 3.961 1.00 63.67 H new ATOM 0 HA MET A 52 32.501 0.143 1.748 1.00 62.08 H new ATOM 0 HB2 MET A 52 35.135 1.116 2.059 1.00 62.06 H new ATOM 0 HB3 MET A 52 34.223 1.446 0.838 1.00 62.06 H new ATOM 0 HG2 MET A 52 32.864 2.777 2.087 1.00 57.61 H new ATOM 0 HG3 MET A 52 33.447 2.230 3.427 1.00 57.61 H new ATOM 0 HE1 MET A 52 35.245 5.156 0.723 1.00 67.82 H new ATOM 0 HE2 MET A 52 35.506 3.631 0.387 1.00 67.82 H new ATOM 0 HE3 MET A 52 34.024 4.184 0.456 1.00 67.82 H new ATOM 315 N GLU A 53 35.102 -1.717 1.692 1.00 71.29 N ATOM 316 CA GLU A 53 35.673 -2.862 0.997 1.00 71.76 C ATOM 317 C GLU A 53 34.700 -4.026 0.989 1.00 72.04 C ATOM 318 O GLU A 53 34.481 -4.662 -0.052 1.00 76.90 O ATOM 319 CB GLU A 53 37.001 -3.269 1.634 1.00 70.44 C ATOM 320 CG GLU A 53 38.086 -2.180 1.645 1.00 75.48 C ATOM 321 CD GLU A 53 38.335 -1.492 0.295 1.00 79.89 C ATOM 322 OE1 GLU A 53 37.903 -1.986 -0.758 1.00 75.62 O ATOM 323 OE2 GLU A 53 38.982 -0.432 0.301 1.00 82.25 O ATOM 0 H GLU A 53 35.550 -1.438 2.371 1.00 71.29 H new ATOM 0 HA GLU A 53 35.843 -2.606 0.077 1.00 71.76 H new ATOM 0 HB2 GLU A 53 36.833 -3.546 2.548 1.00 70.44 H new ATOM 0 HB3 GLU A 53 37.345 -4.043 1.162 1.00 70.44 H new ATOM 0 HG2 GLU A 53 37.839 -1.504 2.296 1.00 75.48 H new ATOM 0 HG3 GLU A 53 38.918 -2.576 1.949 1.00 75.48 H new ATOM 324 N GLN A 54 34.067 -4.292 2.129 1.00 70.40 N ATOM 325 CA GLN A 54 33.126 -5.396 2.154 1.00 71.45 C ATOM 326 C GLN A 54 31.998 -5.152 1.172 1.00 75.90 C ATOM 327 O GLN A 54 31.544 -6.080 0.489 1.00 77.82 O ATOM 328 CB GLN A 54 32.572 -5.612 3.556 1.00 72.28 C ATOM 329 CG GLN A 54 31.734 -6.881 3.662 1.00 73.67 C ATOM 330 CD GLN A 54 32.548 -8.139 3.451 1.00 79.46 C ATOM 331 OE1 GLN A 54 33.780 -8.122 3.526 1.00 78.18 O ATOM 332 NE2 GLN A 54 31.861 -9.247 3.198 1.00 83.29 N ATOM 0 H GLN A 54 34.164 -3.863 2.868 1.00 70.40 H new ATOM 0 HA GLN A 54 33.600 -6.200 1.891 1.00 71.45 H new ATOM 0 HB2 GLN A 54 33.307 -5.659 4.187 1.00 72.28 H new ATOM 0 HB3 GLN A 54 32.030 -4.848 3.808 1.00 72.28 H new ATOM 0 HG2 GLN A 54 31.314 -6.915 4.536 1.00 73.67 H new ATOM 0 HG3 GLN A 54 31.020 -6.848 3.006 1.00 73.67 H new ATOM 0 HE21 GLN A 54 31.003 -9.220 3.153 1.00 83.29 H new ATOM 0 HE22 GLN A 54 32.275 -9.992 3.079 1.00 83.29 H new ATOM 333 N VAL A 55 31.551 -3.904 1.064 1.00 70.59 N ATOM 334 CA VAL A 55 30.488 -3.637 0.118 1.00 70.32 C ATOM 335 C VAL A 55 31.012 -3.824 -1.288 1.00 70.70 C ATOM 336 O VAL A 55 30.368 -4.473 -2.120 1.00 74.98 O ATOM 337 CB VAL A 55 29.886 -2.237 0.346 1.00 72.49 C ATOM 338 CG1 VAL A 55 28.912 -1.893 -0.776 1.00 64.85 C ATOM 339 CG2 VAL A 55 29.166 -2.189 1.679 1.00 58.55 C ATOM 0 H VAL A 55 31.838 -3.227 1.511 1.00 70.59 H new ATOM 0 HA VAL A 55 29.763 -4.268 0.253 1.00 70.32 H new ATOM 0 HB VAL A 55 30.607 -1.588 0.350 1.00 72.49 H new ATOM 0 HG11 VAL A 55 28.540 -1.011 -0.622 1.00 64.85 H new ATOM 0 HG12 VAL A 55 29.380 -1.902 -1.625 1.00 64.85 H new ATOM 0 HG13 VAL A 55 28.196 -2.547 -0.795 1.00 64.85 H new ATOM 0 HG21 VAL A 55 28.791 -1.304 1.813 1.00 58.55 H new ATOM 0 HG22 VAL A 55 28.453 -2.846 1.686 1.00 58.55 H new ATOM 0 HG23 VAL A 55 29.793 -2.385 2.393 1.00 58.55 H new ATOM 340 N ASN A 56 32.228 -3.344 -1.548 1.00 75.94 N ATOM 341 CA ASN A 56 32.776 -3.421 -2.896 1.00 75.26 C ATOM 342 C ASN A 56 32.950 -4.869 -3.329 1.00 74.57 C ATOM 343 O ASN A 56 32.478 -5.269 -4.398 1.00 81.59 O ATOM 344 CB ASN A 56 34.093 -2.645 -2.969 1.00 68.73 C ATOM 345 CG ASN A 56 33.866 -1.144 -3.055 1.00 79.11 C ATOM 346 OD1 ASN A 56 32.727 -0.688 -3.199 1.00 76.20 O ATOM 347 ND2 ASN A 56 34.944 -0.370 -2.990 1.00 80.18 N ATOM 0 H ASN A 56 32.743 -2.976 -0.966 1.00 75.94 H new ATOM 0 HA ASN A 56 32.151 -3.012 -3.515 1.00 75.26 H new ATOM 0 HB2 ASN A 56 34.630 -2.846 -2.186 1.00 68.73 H new ATOM 0 HB3 ASN A 56 34.599 -2.940 -3.743 1.00 68.73 H new ATOM 0 HD21 ASN A 56 34.864 0.484 -3.049 1.00 80.18 H new ATOM 0 HD22 ASN A 56 35.722 -0.723 -2.889 1.00 80.18 H new ATOM 348 N ARG A 57 33.575 -5.684 -2.486 1.00 71.42 N ATOM 349 CA ARG A 57 33.751 -7.081 -2.847 1.00 78.71 C ATOM 350 C ARG A 57 32.429 -7.744 -3.191 1.00 76.65 C ATOM 351 O ARG A 57 32.400 -8.666 -4.005 1.00 77.29 O ATOM 352 CB ARG A 57 34.451 -7.844 -1.726 1.00 76.30 C ATOM 353 CG ARG A 57 35.897 -8.182 -2.045 1.00 78.04 C ATOM 354 CD ARG A 57 36.501 -9.053 -0.962 1.00 83.07 C ATOM 355 NE ARG A 57 36.110 -8.584 0.365 1.00 86.29 N ATOM 356 CZ ARG A 57 36.681 -7.561 0.990 1.00 82.52 C ATOM 357 NH1 ARG A 57 37.674 -6.903 0.408 1.00 83.10 N ATOM 358 NH2 ARG A 57 36.256 -7.193 2.191 1.00 80.83 N ATOM 0 H ARG A 57 33.896 -5.455 -1.722 1.00 71.42 H new ATOM 0 HA ARG A 57 34.310 -7.107 -3.640 1.00 78.71 H new ATOM 0 HB2 ARG A 57 34.420 -7.314 -0.914 1.00 76.30 H new ATOM 0 HB3 ARG A 57 33.965 -8.664 -1.548 1.00 76.30 H new ATOM 0 HG2 ARG A 57 35.945 -8.641 -2.898 1.00 78.04 H new ATOM 0 HG3 ARG A 57 36.412 -7.365 -2.133 1.00 78.04 H new ATOM 0 HD2 ARG A 57 36.213 -9.971 -1.082 1.00 83.07 H new ATOM 0 HD3 ARG A 57 37.468 -9.047 -1.039 1.00 83.07 H new ATOM 0 HE ARG A 57 35.470 -8.996 0.766 1.00 86.29 H new ATOM 0 HH11 ARG A 57 37.947 -7.139 -0.373 1.00 83.10 H new ATOM 0 HH12 ARG A 57 38.045 -6.240 0.811 1.00 83.10 H new ATOM 0 HH21 ARG A 57 35.609 -7.617 2.567 1.00 80.83 H new ATOM 0 HH22 ARG A 57 36.627 -6.530 2.594 1.00 80.83 H new ATOM 359 N LEU A 58 31.320 -7.277 -2.611 1.00 79.32 N ATOM 360 CA LEU A 58 30.049 -7.895 -2.954 1.00 73.70 C ATOM 361 C LEU A 58 29.479 -7.301 -4.232 1.00 81.44 C ATOM 362 O LEU A 58 28.958 -8.037 -5.084 1.00 85.25 O ATOM 363 CB LEU A 58 29.070 -7.761 -1.796 1.00 77.89 C ATOM 364 CG LEU A 58 29.484 -8.554 -0.545 1.00 80.28 C ATOM 365 CD1 LEU A 58 28.344 -8.634 0.453 1.00 81.36 C ATOM 366 CD2 LEU A 58 29.963 -9.952 -0.895 1.00 83.73 C ATOM 0 H LEU A 58 31.285 -6.633 -2.042 1.00 79.32 H new ATOM 0 HA LEU A 58 30.200 -8.839 -3.117 1.00 73.70 H new ATOM 0 HB2 LEU A 58 28.984 -6.824 -1.562 1.00 77.89 H new ATOM 0 HB3 LEU A 58 28.195 -8.062 -2.086 1.00 77.89 H new ATOM 0 HG LEU A 58 30.223 -8.074 -0.140 1.00 80.28 H new ATOM 0 HD11 LEU A 58 28.630 -9.138 1.231 1.00 81.36 H new ATOM 0 HD12 LEU A 58 28.088 -7.739 0.724 1.00 81.36 H new ATOM 0 HD13 LEU A 58 27.585 -9.077 0.043 1.00 81.36 H new ATOM 0 HD21 LEU A 58 30.215 -10.421 -0.084 1.00 83.73 H new ATOM 0 HD22 LEU A 58 29.250 -10.437 -1.340 1.00 83.73 H new ATOM 0 HD23 LEU A 58 30.731 -9.893 -1.485 1.00 83.73 H new ATOM 367 N TYR A 59 29.625 -5.986 -4.399 1.00 78.88 N ATOM 368 CA TYR A 59 29.160 -5.317 -5.603 1.00 76.77 C ATOM 369 C TYR A 59 29.628 -6.042 -6.861 1.00 84.76 C ATOM 370 O TYR A 59 28.817 -6.418 -7.718 1.00 85.84 O ATOM 371 CB TYR A 59 29.649 -3.874 -5.611 1.00 75.70 C ATOM 372 CG TYR A 59 29.394 -3.177 -6.930 1.00 86.58 C ATOM 373 CD1 TYR A 59 28.106 -2.798 -7.304 1.00 81.68 C ATOM 374 CD2 TYR A 59 30.437 -2.919 -7.812 1.00 88.18 C ATOM 375 CE1 TYR A 59 27.870 -2.168 -8.508 1.00 83.09 C ATOM 376 CE2 TYR A 59 30.214 -2.284 -9.017 1.00 87.74 C ATOM 377 CZ TYR A 59 28.933 -1.904 -9.361 1.00 90.82 C ATOM 378 OH TYR A 59 28.719 -1.275 -10.569 1.00 86.58 O ATOM 0 H TYR A 59 29.993 -5.466 -3.822 1.00 78.88 H new ATOM 0 HA TYR A 59 28.190 -5.329 -5.601 1.00 76.77 H new ATOM 0 HB2 TYR A 59 29.208 -3.383 -4.900 1.00 75.70 H new ATOM 0 HB3 TYR A 59 30.600 -3.858 -5.420 1.00 75.70 H new ATOM 0 HD1 TYR A 59 27.394 -2.973 -6.732 1.00 81.68 H new ATOM 0 HD2 TYR A 59 31.301 -3.179 -7.586 1.00 88.18 H new ATOM 0 HE1 TYR A 59 27.005 -1.922 -8.747 1.00 83.09 H new ATOM 0 HE2 TYR A 59 30.923 -2.113 -9.594 1.00 87.74 H new ATOM 0 HH TYR A 59 29.451 -1.184 -10.971 1.00 86.58 H new ATOM 379 N THR A 60 30.940 -6.253 -6.983 1.00 81.51 N ATOM 380 CA THR A 60 31.465 -6.875 -8.191 1.00 84.11 C ATOM 381 C THR A 60 30.815 -8.230 -8.418 1.00 90.17 C ATOM 382 O THR A 60 30.403 -8.558 -9.540 1.00 90.02 O ATOM 383 CB THR A 60 32.989 -7.015 -8.110 1.00 88.03 C ATOM 384 OG1 THR A 60 33.331 -8.096 -7.234 1.00 89.95 O ATOM 385 CG2 THR A 60 33.656 -5.700 -7.616 1.00 80.91 C ATOM 0 H THR A 60 31.528 -6.047 -6.390 1.00 81.51 H new ATOM 0 HA THR A 60 31.253 -6.303 -8.945 1.00 84.11 H new ATOM 0 HB THR A 60 33.322 -7.201 -9.002 1.00 88.03 H new ATOM 0 HG1 THR A 60 34.167 -8.170 -7.193 1.00 89.95 H new ATOM 0 HG21 THR A 60 34.618 -5.820 -7.575 1.00 80.91 H new ATOM 0 HG22 THR A 60 33.446 -4.980 -8.231 1.00 80.91 H new ATOM 0 HG23 THR A 60 33.321 -5.479 -6.733 1.00 80.91 H new ATOM 386 N ILE A 61 30.656 -9.007 -7.348 1.00 86.93 N ATOM 387 CA ILE A 61 30.102 -10.338 -7.514 1.00 79.03 C ATOM 388 C ILE A 61 28.633 -10.246 -7.895 1.00 89.46 C ATOM 389 O ILE A 61 28.120 -11.083 -8.648 1.00 93.13 O ATOM 390 CB ILE A 61 30.359 -11.144 -6.232 1.00 80.55 C ATOM 391 CG1 ILE A 61 31.871 -11.309 -6.045 1.00 78.30 C ATOM 392 CG2 ILE A 61 29.648 -12.493 -6.265 1.00 78.16 C ATOM 393 CD1 ILE A 61 32.301 -11.875 -4.698 1.00 74.28 C ATOM 0 H ILE A 61 30.857 -8.787 -6.541 1.00 86.93 H new ATOM 0 HA ILE A 61 30.537 -10.810 -8.242 1.00 79.03 H new ATOM 0 HB ILE A 61 29.994 -10.661 -5.474 1.00 80.55 H new ATOM 0 HG12 ILE A 61 32.207 -11.889 -6.746 1.00 78.30 H new ATOM 0 HG13 ILE A 61 32.293 -10.444 -6.166 1.00 78.30 H new ATOM 0 HG21 ILE A 61 29.830 -12.975 -5.443 1.00 78.16 H new ATOM 0 HG22 ILE A 61 28.692 -12.353 -6.352 1.00 78.16 H new ATOM 0 HG23 ILE A 61 29.969 -13.010 -7.021 1.00 78.16 H new ATOM 0 HD11 ILE A 61 33.268 -11.944 -4.670 1.00 74.28 H new ATOM 0 HD12 ILE A 61 31.998 -11.287 -3.988 1.00 74.28 H new ATOM 0 HD13 ILE A 61 31.911 -12.755 -4.577 1.00 74.28 H new ATOM 394 N ALA A 62 27.937 -9.213 -7.431 1.00 86.42 N ATOM 395 CA ALA A 62 26.598 -8.993 -7.950 1.00 89.83 C ATOM 396 C ALA A 62 26.654 -8.626 -9.423 1.00 94.93 C ATOM 397 O ALA A 62 25.880 -9.150 -10.231 1.00 99.17 O ATOM 398 CB ALA A 62 25.891 -7.909 -7.146 1.00 89.88 C ATOM 0 H ALA A 62 28.209 -8.650 -6.840 1.00 86.42 H new ATOM 0 HA ALA A 62 26.091 -9.815 -7.863 1.00 89.83 H new ATOM 0 HB1 ALA A 62 24.999 -7.772 -7.502 1.00 89.88 H new ATOM 0 HB2 ALA A 62 25.830 -8.183 -6.217 1.00 89.88 H new ATOM 0 HB3 ALA A 62 26.394 -7.082 -7.206 1.00 89.88 H new ATOM 399 N PHE A 63 27.592 -7.754 -9.791 1.00 95.77 N ATOM 400 CA PHE A 63 27.655 -7.268 -11.161 1.00101.46 C ATOM 401 C PHE A 63 27.867 -8.406 -12.148 1.00102.92 C ATOM 402 O PHE A 63 27.282 -8.403 -13.238 1.00108.13 O ATOM 403 CB PHE A 63 28.768 -6.230 -11.280 1.00101.03 C ATOM 404 CG PHE A 63 28.727 -5.441 -12.553 1.00109.57 C ATOM 405 CD1 PHE A 63 27.579 -4.762 -12.922 1.00111.10 C ATOM 406 CD2 PHE A 63 29.843 -5.353 -13.367 1.00112.53 C ATOM 407 CE1 PHE A 63 27.540 -4.027 -14.086 1.00108.89 C ATOM 408 CE2 PHE A 63 29.811 -4.616 -14.530 1.00112.89 C ATOM 409 CZ PHE A 63 28.656 -3.950 -14.889 1.00110.36 C ATOM 0 H PHE A 63 28.194 -7.436 -9.266 1.00 95.77 H new ATOM 0 HA PHE A 63 26.806 -6.854 -11.382 1.00101.46 H new ATOM 0 HB2 PHE A 63 28.710 -5.619 -10.529 1.00101.03 H new ATOM 0 HB3 PHE A 63 29.625 -6.679 -11.215 1.00101.03 H new ATOM 0 HD1 PHE A 63 26.826 -4.802 -12.378 1.00111.10 H new ATOM 0 HD2 PHE A 63 30.624 -5.797 -13.126 1.00112.53 H new ATOM 0 HE1 PHE A 63 26.760 -3.583 -14.330 1.00108.89 H new ATOM 0 HE2 PHE A 63 30.565 -4.567 -15.072 1.00112.89 H new ATOM 0 HZ PHE A 63 28.632 -3.450 -15.673 1.00110.36 H new ATOM 410 N ASN A 64 28.674 -9.396 -11.777 1.00 98.01 N ATOM 411 CA ASN A 64 28.936 -10.524 -12.655 1.00100.49 C ATOM 412 C ASN A 64 27.755 -11.469 -12.778 1.00101.09 C ATOM 413 O ASN A 64 27.667 -12.197 -13.771 1.00106.58 O ATOM 414 CB ASN A 64 30.148 -11.300 -12.156 1.00101.02 C ATOM 415 CG ASN A 64 31.390 -10.465 -12.153 1.00 98.09 C ATOM 416 OD1 ASN A 64 31.492 -9.498 -12.908 1.00101.73 O ATOM 417 ND2 ASN A 64 32.348 -10.823 -11.308 1.00 97.49 N ATOM 0 H ASN A 64 29.079 -9.431 -11.019 1.00 98.01 H new ATOM 0 HA ASN A 64 29.105 -10.155 -13.536 1.00100.49 H new ATOM 0 HB2 ASN A 64 29.976 -11.624 -11.258 1.00101.02 H new ATOM 0 HB3 ASN A 64 30.285 -12.079 -12.717 1.00101.02 H new ATOM 0 HD21 ASN A 64 33.080 -10.372 -11.271 1.00 97.49 H new ATOM 0 HD22 ASN A 64 32.237 -11.506 -10.797 1.00 97.49 H new ATOM 418 N SER A 65 26.859 -11.484 -11.797 1.00100.67 N ATOM 419 CA SER A 65 25.733 -12.405 -11.843 1.00106.96 C ATOM 420 C SER A 65 24.842 -12.082 -13.031 1.00107.59 C ATOM 421 O SER A 65 24.409 -10.940 -13.206 1.00106.16 O ATOM 422 CB SER A 65 24.928 -12.338 -10.545 1.00106.62 C ATOM 423 OG SER A 65 23.742 -13.108 -10.644 1.00109.93 O ATOM 0 H SER A 65 26.885 -10.975 -11.104 1.00100.67 H new ATOM 0 HA SER A 65 26.077 -13.306 -11.943 1.00106.96 H new ATOM 0 HB2 SER A 65 25.468 -12.663 -9.808 1.00106.62 H new ATOM 0 HB3 SER A 65 24.703 -11.415 -10.347 1.00106.62 H new ATOM 0 HG SER A 65 23.120 -12.628 -10.940 1.00109.93 H new ATOM 424 N ASN A 66 24.579 -13.097 -13.854 1.00113.39 N ATOM 425 CA ASN A 66 23.696 -12.918 -15.001 1.00113.89 C ATOM 426 C ASN A 66 22.268 -12.661 -14.549 1.00109.72 C ATOM 427 O ASN A 66 21.685 -11.613 -14.847 1.00106.63 O ATOM 428 CB ASN A 66 23.753 -14.148 -15.904 1.00118.11 C ATOM 429 CG ASN A 66 25.162 -14.515 -16.295 1.00120.37 C ATOM 430 OD1 ASN A 66 26.068 -13.679 -16.263 1.00120.51 O ATOM 431 ND2 ASN A 66 25.358 -15.773 -16.672 1.00124.85 N ATOM 0 H ASN A 66 24.900 -13.890 -13.765 1.00113.39 H new ATOM 0 HA ASN A 66 23.998 -12.145 -15.503 1.00113.89 H new ATOM 0 HB2 ASN A 66 23.341 -14.899 -15.448 1.00118.11 H new ATOM 0 HB3 ASN A 66 23.232 -13.982 -16.705 1.00118.11 H new ATOM 0 HD21 ASN A 66 26.143 -16.034 -16.907 1.00124.85 H new ATOM 0 HD22 ASN A 66 24.700 -16.327 -16.681 1.00124.85 H new ATOM 432 N GLU A 67 21.695 -13.605 -13.813 1.00110.77 N ATOM 433 CA GLU A 67 20.311 -13.510 -13.390 1.00115.32 C ATOM 434 C GLU A 67 20.145 -12.475 -12.279 1.00110.68 C ATOM 435 O GLU A 67 21.111 -11.966 -11.702 1.00107.79 O ATOM 436 CB GLU A 67 19.808 -14.872 -12.921 1.00117.39 C ATOM 437 CG GLU A 67 20.682 -15.527 -11.867 1.00113.24 C ATOM 438 CD GLU A 67 20.340 -16.990 -11.664 1.00120.36 C ATOM 439 OE1 GLU A 67 19.474 -17.506 -12.403 1.00123.89 O ATOM 440 OE2 GLU A 67 20.937 -17.627 -10.769 1.00122.04 O ATOM 0 H GLU A 67 22.099 -14.316 -13.547 1.00110.77 H new ATOM 0 HA GLU A 67 19.783 -13.223 -14.151 1.00115.32 H new ATOM 0 HB2 GLU A 67 18.911 -14.770 -12.566 1.00117.39 H new ATOM 0 HB3 GLU A 67 19.744 -15.464 -13.687 1.00117.39 H new ATOM 0 HG2 GLU A 67 21.613 -15.448 -12.127 1.00113.24 H new ATOM 0 HG3 GLU A 67 20.581 -15.054 -11.026 1.00113.24 H new ATOM 441 N ASP A 68 18.882 -12.166 -11.986 1.00108.90 N ATOM 442 CA ASP A 68 18.559 -11.288 -10.869 1.00108.06 C ATOM 443 C ASP A 68 18.429 -12.058 -9.564 1.00104.66 C ATOM 444 O ASP A 68 18.680 -11.502 -8.490 1.00105.83 O ATOM 445 CB ASP A 68 17.263 -10.530 -11.153 1.00108.82 C ATOM 446 CG ASP A 68 16.794 -9.718 -9.964 1.00106.58 C ATOM 447 OD1 ASP A 68 17.309 -8.601 -9.780 1.00107.03 O ATOM 448 OD2 ASP A 68 15.924 -10.205 -9.211 1.00105.14 O ATOM 0 H ASP A 68 18.200 -12.455 -12.423 1.00108.90 H new ATOM 0 HA ASP A 68 19.290 -10.658 -10.772 1.00108.06 H new ATOM 0 HB2 ASP A 68 17.396 -9.940 -11.911 1.00108.82 H new ATOM 0 HB3 ASP A 68 16.571 -11.162 -11.403 1.00108.82 H new ATOM 449 N GLN A 69 18.044 -13.324 -9.635 1.00107.52 N ATOM 450 CA GLN A 69 17.918 -14.136 -8.434 1.00110.50 C ATOM 451 C GLN A 69 19.281 -14.296 -7.777 1.00108.75 C ATOM 452 O GLN A 69 20.203 -14.863 -8.371 1.00107.95 O ATOM 453 CB GLN A 69 17.325 -15.500 -8.772 1.00112.66 C ATOM 454 CG GLN A 69 17.145 -16.397 -7.564 1.00110.89 C ATOM 455 CD GLN A 69 16.235 -15.785 -6.513 1.00108.03 C ATOM 456 OE1 GLN A 69 15.427 -14.905 -6.806 1.00105.98 O ATOM 457 NE2 GLN A 69 16.369 -16.248 -5.279 1.00105.38 N ATOM 0 H GLN A 69 17.851 -13.732 -10.367 1.00107.52 H new ATOM 0 HA GLN A 69 17.320 -13.691 -7.814 1.00110.50 H new ATOM 0 HB2 GLN A 69 16.465 -15.373 -9.203 1.00112.66 H new ATOM 0 HB3 GLN A 69 17.901 -15.945 -9.413 1.00112.66 H new ATOM 0 HG2 GLN A 69 16.777 -17.248 -7.849 1.00110.89 H new ATOM 0 HG3 GLN A 69 18.012 -16.580 -7.169 1.00110.89 H new ATOM 0 HE21 GLN A 69 16.945 -16.864 -5.111 1.00105.38 H new ATOM 0 HE22 GLN A 69 15.880 -15.932 -4.646 1.00105.38 H new ATOM 458 N LEU A 70 19.403 -13.802 -6.549 1.00104.77 N ATOM 459 CA LEU A 70 20.677 -13.832 -5.850 1.00105.39 C ATOM 460 C LEU A 70 20.977 -15.229 -5.325 1.00101.81 C ATOM 461 O LEU A 70 20.148 -15.843 -4.646 1.00109.14 O ATOM 462 CB LEU A 70 20.679 -12.819 -4.708 1.00104.50 C ATOM 463 CG LEU A 70 20.685 -11.352 -5.142 1.00 96.96 C ATOM 464 CD1 LEU A 70 20.710 -10.452 -3.930 1.00 92.04 C ATOM 465 CD2 LEU A 70 21.860 -11.079 -6.052 1.00 93.11 C ATOM 0 H LEU A 70 18.759 -13.445 -6.105 1.00104.77 H new ATOM 0 HA LEU A 70 21.375 -13.592 -6.480 1.00105.39 H new ATOM 0 HB2 LEU A 70 19.898 -12.975 -4.155 1.00104.50 H new ATOM 0 HB3 LEU A 70 21.457 -12.981 -4.152 1.00104.50 H new ATOM 0 HG LEU A 70 19.873 -11.165 -5.639 1.00 96.96 H new ATOM 0 HD11 LEU A 70 20.714 -9.525 -4.215 1.00 92.04 H new ATOM 0 HD12 LEU A 70 19.924 -10.619 -3.386 1.00 92.04 H new ATOM 0 HD13 LEU A 70 21.508 -10.633 -3.409 1.00 92.04 H new ATOM 0 HD21 LEU A 70 21.852 -10.147 -6.320 1.00 93.11 H new ATOM 0 HD22 LEU A 70 22.686 -11.273 -5.582 1.00 93.11 H new ATOM 0 HD23 LEU A 70 21.797 -11.642 -6.840 1.00 93.11 H new ATOM 466 N ASN A 71 22.169 -15.723 -5.646 1.00102.34 N ATOM 467 CA ASN A 71 22.668 -16.989 -5.127 1.00101.15 C ATOM 468 C ASN A 71 22.584 -17.017 -3.599 1.00106.60 C ATOM 469 O ASN A 71 22.610 -15.976 -2.936 1.00108.54 O ATOM 470 CB ASN A 71 24.111 -17.181 -5.618 1.00 98.55 C ATOM 471 CG ASN A 71 24.805 -18.345 -4.969 1.00110.73 C ATOM 472 OD1 ASN A 71 24.176 -19.341 -4.604 1.00115.81 O ATOM 473 ND2 ASN A 71 26.119 -18.230 -4.814 1.00116.10 N ATOM 0 H ASN A 71 22.716 -15.326 -6.178 1.00102.34 H new ATOM 0 HA ASN A 71 22.121 -17.721 -5.452 1.00101.15 H new ATOM 0 HB2 ASN A 71 24.105 -17.310 -6.579 1.00 98.55 H new ATOM 0 HB3 ASN A 71 24.617 -16.372 -5.443 1.00 98.55 H new ATOM 0 HD21 ASN A 71 26.566 -18.866 -4.446 1.00116.10 H new ATOM 0 HD22 ASN A 71 26.523 -17.519 -5.082 1.00116.10 H new ATOM 474 N GLU A 72 22.476 -18.225 -3.033 1.00110.17 N ATOM 475 CA GLU A 72 22.287 -18.377 -1.588 1.00110.28 C ATOM 476 C GLU A 72 23.555 -18.055 -0.798 1.00109.64 C ATOM 477 O GLU A 72 23.481 -17.509 0.317 1.00107.61 O ATOM 478 CB GLU A 72 21.814 -19.796 -1.271 1.00115.00 C ATOM 479 CG GLU A 72 21.541 -20.067 0.212 1.00120.20 C ATOM 480 CD GLU A 72 22.454 -21.144 0.794 1.00123.49 C ATOM 481 OE1 GLU A 72 23.342 -20.812 1.614 1.00120.76 O ATOM 482 OE2 GLU A 72 22.289 -22.327 0.425 1.00127.78 O ATOM 0 H GLU A 72 22.510 -18.966 -3.468 1.00110.17 H new ATOM 0 HA GLU A 72 21.610 -17.738 -1.315 1.00110.28 H new ATOM 0 HB2 GLU A 72 21.003 -19.973 -1.774 1.00115.00 H new ATOM 0 HB3 GLU A 72 22.484 -20.424 -1.583 1.00115.00 H new ATOM 0 HG2 GLU A 72 21.657 -19.245 0.714 1.00120.20 H new ATOM 0 HG3 GLU A 72 20.616 -20.338 0.322 1.00120.20 H new ATOM 483 N GLU A 73 24.723 -18.407 -1.342 1.00111.53 N ATOM 484 CA GLU A 73 25.971 -17.968 -0.731 1.00112.17 C ATOM 485 C GLU A 73 26.024 -16.451 -0.642 1.00102.91 C ATOM 486 O GLU A 73 26.581 -15.901 0.313 1.00 97.30 O ATOM 487 CB GLU A 73 27.167 -18.511 -1.517 1.00112.38 C ATOM 488 CG GLU A 73 27.523 -19.956 -1.161 1.00120.05 C ATOM 489 CD GLU A 73 26.723 -20.985 -1.951 1.00125.53 C ATOM 490 OE1 GLU A 73 26.607 -20.832 -3.187 1.00128.01 O ATOM 491 OE2 GLU A 73 26.211 -21.947 -1.339 1.00119.82 O ATOM 0 H GLU A 73 24.810 -18.889 -2.049 1.00111.53 H new ATOM 0 HA GLU A 73 26.013 -18.321 0.172 1.00112.17 H new ATOM 0 HB2 GLU A 73 26.973 -18.457 -2.466 1.00112.38 H new ATOM 0 HB3 GLU A 73 27.937 -17.945 -1.352 1.00112.38 H new ATOM 0 HG2 GLU A 73 28.469 -20.098 -1.321 1.00120.05 H new ATOM 0 HG3 GLU A 73 27.372 -20.096 -0.213 1.00120.05 H new ATOM 492 N PHE A 74 25.416 -15.763 -1.606 1.00101.12 N ATOM 493 CA PHE A 74 25.349 -14.311 -1.533 1.00 99.81 C ATOM 494 C PHE A 74 24.523 -13.862 -0.335 1.00 97.59 C ATOM 495 O PHE A 74 24.830 -12.840 0.288 1.00 96.77 O ATOM 496 CB PHE A 74 24.771 -13.747 -2.829 1.00 97.60 C ATOM 497 CG PHE A 74 25.038 -12.298 -3.012 1.00 90.18 C ATOM 498 CD1 PHE A 74 24.268 -11.353 -2.362 1.00 85.41 C ATOM 499 CD2 PHE A 74 26.083 -11.879 -3.813 1.00 88.83 C ATOM 500 CE1 PHE A 74 24.522 -10.010 -2.516 1.00 87.52 C ATOM 501 CE2 PHE A 74 26.349 -10.541 -3.981 1.00 89.31 C ATOM 502 CZ PHE A 74 25.572 -9.598 -3.330 1.00 90.57 C ATOM 0 H PHE A 74 25.043 -16.112 -2.298 1.00101.12 H new ATOM 0 HA PHE A 74 26.249 -13.968 -1.418 1.00 99.81 H new ATOM 0 HB2 PHE A 74 25.143 -14.235 -3.580 1.00 97.60 H new ATOM 0 HB3 PHE A 74 23.813 -13.896 -2.840 1.00 97.60 H new ATOM 0 HD1 PHE A 74 23.569 -11.628 -1.814 1.00 85.41 H new ATOM 0 HD2 PHE A 74 26.613 -12.510 -4.244 1.00 88.83 H new ATOM 0 HE1 PHE A 74 23.995 -9.381 -2.078 1.00 87.52 H new ATOM 0 HE2 PHE A 74 27.049 -10.270 -4.530 1.00 89.31 H new ATOM 0 HZ PHE A 74 25.752 -8.692 -3.437 1.00 90.57 H new ATOM 503 N ILE A 75 23.474 -14.608 0.008 1.00 99.61 N ATOM 504 CA ILE A 75 22.687 -14.252 1.184 1.00101.50 C ATOM 505 C ILE A 75 23.511 -14.457 2.447 1.00 96.24 C ATOM 506 O ILE A 75 23.461 -13.643 3.378 1.00 92.85 O ATOM 507 CB ILE A 75 21.366 -15.045 1.225 1.00 99.47 C ATOM 508 CG1 ILE A 75 20.267 -14.313 0.448 1.00105.67 C ATOM 509 CG2 ILE A 75 20.899 -15.237 2.663 1.00 98.43 C ATOM 510 CD1 ILE A 75 20.513 -14.197 -1.038 1.00106.80 C ATOM 0 H ILE A 75 23.207 -15.307 -0.416 1.00 99.61 H new ATOM 0 HA ILE A 75 22.452 -13.312 1.131 1.00101.50 H new ATOM 0 HB ILE A 75 21.532 -15.909 0.816 1.00 99.47 H new ATOM 0 HG12 ILE A 75 19.426 -14.775 0.589 1.00105.67 H new ATOM 0 HG13 ILE A 75 20.166 -13.422 0.817 1.00105.67 H new ATOM 0 HG21 ILE A 75 20.068 -15.737 2.669 1.00 98.43 H new ATOM 0 HG22 ILE A 75 21.574 -15.725 3.160 1.00 98.43 H new ATOM 0 HG23 ILE A 75 20.758 -14.371 3.076 1.00 98.43 H new ATOM 0 HD11 ILE A 75 19.775 -13.723 -1.452 1.00106.80 H new ATOM 0 HD12 ILE A 75 21.337 -13.709 -1.193 1.00106.80 H new ATOM 0 HD13 ILE A 75 20.585 -15.084 -1.424 1.00106.80 H new ATOM 511 N ASP A 76 24.274 -15.547 2.505 1.00 99.13 N ATOM 512 CA ASP A 76 25.190 -15.709 3.631 1.00 99.50 C ATOM 513 C ASP A 76 26.152 -14.529 3.716 1.00 90.34 C ATOM 514 O ASP A 76 26.448 -14.029 4.811 1.00 83.03 O ATOM 515 CB ASP A 76 25.952 -17.029 3.504 1.00102.04 C ATOM 516 CG ASP A 76 25.029 -18.237 3.504 1.00105.61 C ATOM 517 OD1 ASP A 76 23.832 -18.068 3.821 1.00105.12 O ATOM 518 OD2 ASP A 76 25.494 -19.353 3.185 1.00110.62 O ATOM 0 H ASP A 76 24.279 -16.183 1.926 1.00 99.13 H new ATOM 0 HA ASP A 76 24.674 -15.731 4.452 1.00 99.50 H new ATOM 0 HB2 ASP A 76 26.471 -17.022 2.684 1.00102.04 H new ATOM 0 HB3 ASP A 76 26.582 -17.107 4.237 1.00102.04 H new ATOM 519 N GLU A 77 26.634 -14.065 2.561 1.00 88.86 N ATOM 520 CA GLU A 77 27.518 -12.907 2.535 1.00 86.38 C ATOM 521 C GLU A 77 26.811 -11.665 3.073 1.00 89.45 C ATOM 522 O GLU A 77 27.408 -10.858 3.792 1.00 83.47 O ATOM 523 CB GLU A 77 28.021 -12.674 1.115 1.00 84.30 C ATOM 524 CG GLU A 77 29.014 -13.719 0.623 1.00 87.10 C ATOM 525 CD GLU A 77 30.338 -13.686 1.371 1.00 91.08 C ATOM 526 OE1 GLU A 77 30.779 -12.591 1.788 1.00 98.51 O ATOM 527 OE2 GLU A 77 30.944 -14.756 1.548 1.00 93.38 O ATOM 0 H GLU A 77 26.461 -14.405 1.790 1.00 88.86 H new ATOM 0 HA GLU A 77 28.278 -13.083 3.112 1.00 86.38 H new ATOM 0 HB2 GLU A 77 27.261 -12.656 0.513 1.00 84.30 H new ATOM 0 HB3 GLU A 77 28.439 -11.800 1.070 1.00 84.30 H new ATOM 0 HG2 GLU A 77 28.619 -14.600 0.715 1.00 87.10 H new ATOM 0 HG3 GLU A 77 29.180 -13.579 -0.322 1.00 87.10 H new ATOM 528 N LEU A 78 25.533 -11.504 2.748 1.00 85.38 N ATOM 529 CA LEU A 78 24.782 -10.380 3.288 1.00 82.52 C ATOM 530 C LEU A 78 24.647 -10.475 4.800 1.00 82.85 C ATOM 531 O LEU A 78 24.761 -9.466 5.508 1.00 82.47 O ATOM 532 CB LEU A 78 23.409 -10.310 2.635 1.00 86.85 C ATOM 533 CG LEU A 78 23.470 -9.746 1.223 1.00 86.41 C ATOM 534 CD1 LEU A 78 22.133 -9.155 0.844 1.00 79.52 C ATOM 535 CD2 LEU A 78 24.575 -8.710 1.118 1.00 75.52 C ATOM 0 H LEU A 78 25.090 -12.024 2.226 1.00 85.38 H new ATOM 0 HA LEU A 78 25.272 -9.567 3.088 1.00 82.52 H new ATOM 0 HB2 LEU A 78 23.019 -11.198 2.610 1.00 86.85 H new ATOM 0 HB3 LEU A 78 22.823 -9.758 3.177 1.00 86.85 H new ATOM 0 HG LEU A 78 23.672 -10.464 0.603 1.00 86.41 H new ATOM 0 HD11 LEU A 78 22.180 -8.798 -0.057 1.00 79.52 H new ATOM 0 HD12 LEU A 78 21.452 -9.844 0.883 1.00 79.52 H new ATOM 0 HD13 LEU A 78 21.907 -8.443 1.462 1.00 79.52 H new ATOM 0 HD21 LEU A 78 24.604 -8.358 0.215 1.00 75.52 H new ATOM 0 HD22 LEU A 78 24.401 -7.987 1.741 1.00 75.52 H new ATOM 0 HD23 LEU A 78 25.427 -9.122 1.332 1.00 75.52 H new ATOM 536 N GLU A 79 24.355 -11.670 5.307 1.00 84.52 N ATOM 537 CA GLU A 79 24.296 -11.877 6.752 1.00 78.83 C ATOM 538 C GLU A 79 25.605 -11.461 7.408 1.00 75.97 C ATOM 539 O GLU A 79 25.620 -10.742 8.418 1.00 74.42 O ATOM 540 CB GLU A 79 23.989 -13.346 7.058 1.00 82.31 C ATOM 541 CG GLU A 79 22.633 -13.835 6.587 1.00 83.90 C ATOM 542 CD GLU A 79 21.475 -13.254 7.390 1.00 84.81 C ATOM 543 OE1 GLU A 79 21.718 -12.675 8.472 1.00 85.45 O ATOM 544 OE2 GLU A 79 20.319 -13.378 6.931 1.00 82.02 O ATOM 0 H GLU A 79 24.189 -12.370 4.835 1.00 84.52 H new ATOM 0 HA GLU A 79 23.586 -11.325 7.115 1.00 78.83 H new ATOM 0 HB2 GLU A 79 24.675 -13.897 6.649 1.00 82.31 H new ATOM 0 HB3 GLU A 79 24.050 -13.481 8.017 1.00 82.31 H new ATOM 0 HG2 GLU A 79 22.519 -13.604 5.652 1.00 83.90 H new ATOM 0 HG3 GLU A 79 22.606 -14.803 6.645 1.00 83.90 H new ATOM 545 N TYR A 80 26.721 -11.913 6.833 1.00 77.88 N ATOM 546 CA TYR A 80 28.038 -11.520 7.326 1.00 76.37 C ATOM 547 C TYR A 80 28.251 -10.015 7.200 1.00 76.95 C ATOM 548 O TYR A 80 28.977 -9.418 8.002 1.00 78.64 O ATOM 549 CB TYR A 80 29.124 -12.282 6.558 1.00 78.61 C ATOM 550 CG TYR A 80 30.529 -12.102 7.086 1.00 80.96 C ATOM 551 CD1 TYR A 80 30.766 -11.806 8.422 1.00 78.91 C ATOM 552 CD2 TYR A 80 31.621 -12.207 6.237 1.00 81.36 C ATOM 553 CE1 TYR A 80 32.058 -11.622 8.896 1.00 76.88 C ATOM 554 CE2 TYR A 80 32.909 -12.030 6.699 1.00 82.58 C ATOM 555 CZ TYR A 80 33.125 -11.741 8.026 1.00 79.81 C ATOM 556 OH TYR A 80 34.417 -11.573 8.477 1.00 81.30 O ATOM 0 H TYR A 80 26.735 -12.446 6.158 1.00 77.88 H new ATOM 0 HA TYR A 80 28.093 -11.745 8.268 1.00 76.37 H new ATOM 0 HB2 TYR A 80 28.907 -13.227 6.571 1.00 78.61 H new ATOM 0 HB3 TYR A 80 29.103 -11.999 5.630 1.00 78.61 H new ATOM 0 HD1 TYR A 80 30.048 -11.730 9.008 1.00 78.91 H new ATOM 0 HD2 TYR A 80 31.482 -12.401 5.338 1.00 81.36 H new ATOM 0 HE1 TYR A 80 32.204 -11.420 9.792 1.00 76.88 H new ATOM 0 HE2 TYR A 80 33.629 -12.106 6.115 1.00 82.58 H new ATOM 0 HH TYR A 80 34.953 -11.676 7.838 1.00 81.30 H new ATOM 557 N LEU A 81 27.630 -9.385 6.207 1.00 72.23 N ATOM 558 CA LEU A 81 27.757 -7.941 6.077 1.00 72.78 C ATOM 559 C LEU A 81 27.049 -7.238 7.220 1.00 66.89 C ATOM 560 O LEU A 81 27.575 -6.274 7.789 1.00 63.23 O ATOM 561 CB LEU A 81 27.194 -7.474 4.734 1.00 76.20 C ATOM 562 CG LEU A 81 27.127 -5.949 4.623 1.00 66.97 C ATOM 563 CD1 LEU A 81 28.504 -5.361 4.421 1.00 70.30 C ATOM 564 CD2 LEU A 81 26.191 -5.490 3.538 1.00 66.03 C ATOM 0 H LEU A 81 27.141 -9.766 5.611 1.00 72.23 H new ATOM 0 HA LEU A 81 28.699 -7.713 6.113 1.00 72.78 H new ATOM 0 HB2 LEU A 81 27.746 -7.823 4.017 1.00 76.20 H new ATOM 0 HB3 LEU A 81 26.305 -7.843 4.614 1.00 76.20 H new ATOM 0 HG LEU A 81 26.769 -5.624 5.464 1.00 66.97 H new ATOM 0 HD11 LEU A 81 28.437 -4.396 4.353 1.00 70.30 H new ATOM 0 HD12 LEU A 81 29.069 -5.594 5.174 1.00 70.30 H new ATOM 0 HD13 LEU A 81 28.891 -5.716 3.605 1.00 70.30 H new ATOM 0 HD21 LEU A 81 26.182 -4.521 3.507 1.00 66.03 H new ATOM 0 HD22 LEU A 81 26.490 -5.838 2.684 1.00 66.03 H new ATOM 0 HD23 LEU A 81 25.296 -5.815 3.724 1.00 66.03 H new ATOM 565 N LYS A 82 25.844 -7.709 7.550 1.00 65.15 N ATOM 566 CA LYS A 82 25.144 -7.213 8.735 1.00 69.50 C ATOM 567 C LYS A 82 26.016 -7.364 9.974 1.00 71.50 C ATOM 568 O LYS A 82 26.062 -6.474 10.842 1.00 68.83 O ATOM 569 CB LYS A 82 23.840 -7.975 8.934 1.00 67.01 C ATOM 570 CG LYS A 82 22.600 -7.282 8.454 1.00 72.12 C ATOM 571 CD LYS A 82 21.389 -8.153 8.730 1.00 83.03 C ATOM 572 CE LYS A 82 20.853 -7.959 10.153 1.00 83.47 C ATOM 573 NZ LYS A 82 20.150 -6.639 10.261 1.00 79.94 N ATOM 0 H LYS A 82 25.419 -8.310 7.105 1.00 65.15 H new ATOM 0 HA LYS A 82 24.948 -6.273 8.600 1.00 69.50 H new ATOM 0 HB2 LYS A 82 23.911 -8.828 8.478 1.00 67.01 H new ATOM 0 HB3 LYS A 82 23.738 -8.166 9.879 1.00 67.01 H new ATOM 0 HG2 LYS A 82 22.503 -6.427 8.901 1.00 72.12 H new ATOM 0 HG3 LYS A 82 22.668 -7.099 7.504 1.00 72.12 H new ATOM 0 HD2 LYS A 82 20.690 -7.945 8.091 1.00 83.03 H new ATOM 0 HD3 LYS A 82 21.625 -9.085 8.599 1.00 83.03 H new ATOM 0 HE2 LYS A 82 20.242 -8.678 10.377 1.00 83.47 H new ATOM 0 HE3 LYS A 82 21.584 -7.998 10.790 1.00 83.47 H new ATOM 0 HZ1 LYS A 82 19.829 -6.540 11.085 1.00 79.94 H new ATOM 0 HZ2 LYS A 82 20.724 -5.982 10.085 1.00 79.94 H new ATOM 0 HZ3 LYS A 82 19.479 -6.611 9.677 1.00 79.94 H new ATOM 574 N ILE A 83 26.730 -8.489 10.048 1.00 62.72 N ATOM 575 CA ILE A 83 27.562 -8.778 11.202 1.00 63.88 C ATOM 576 C ILE A 83 28.738 -7.816 11.272 1.00 66.56 C ATOM 577 O ILE A 83 29.039 -7.261 12.341 1.00 67.47 O ATOM 578 CB ILE A 83 27.991 -10.262 11.174 1.00 74.84 C ATOM 579 CG1 ILE A 83 26.888 -11.127 11.796 1.00 67.72 C ATOM 580 CG2 ILE A 83 29.321 -10.507 11.904 1.00 66.48 C ATOM 581 CD1 ILE A 83 26.896 -12.559 11.348 1.00 80.92 C ATOM 0 H ILE A 83 26.742 -9.094 9.437 1.00 62.72 H new ATOM 0 HA ILE A 83 27.054 -8.641 12.017 1.00 63.88 H new ATOM 0 HB ILE A 83 28.127 -10.507 10.245 1.00 74.84 H new ATOM 0 HG12 ILE A 83 26.978 -11.101 12.761 1.00 67.72 H new ATOM 0 HG13 ILE A 83 26.026 -10.737 11.581 1.00 67.72 H new ATOM 0 HG21 ILE A 83 29.546 -11.449 11.859 1.00 66.48 H new ATOM 0 HG22 ILE A 83 30.023 -9.987 11.482 1.00 66.48 H new ATOM 0 HG23 ILE A 83 29.235 -10.240 12.832 1.00 66.48 H new ATOM 0 HD11 ILE A 83 26.173 -13.038 11.783 1.00 80.92 H new ATOM 0 HD12 ILE A 83 26.777 -12.598 10.386 1.00 80.92 H new ATOM 0 HD13 ILE A 83 27.743 -12.968 11.585 1.00 80.92 H new ATOM 582 N LYS A 84 29.408 -7.579 10.144 1.00 69.11 N ATOM 583 CA LYS A 84 30.524 -6.630 10.148 1.00 68.94 C ATOM 584 C LYS A 84 30.036 -5.226 10.477 1.00 68.06 C ATOM 585 O LYS A 84 30.737 -4.446 11.140 1.00 70.78 O ATOM 586 CB LYS A 84 31.249 -6.640 8.812 1.00 69.70 C ATOM 587 CG LYS A 84 31.906 -7.964 8.478 1.00 79.10 C ATOM 588 CD LYS A 84 32.826 -7.844 7.258 1.00 82.15 C ATOM 589 CE LYS A 84 34.151 -7.217 7.642 1.00 81.06 C ATOM 590 NZ LYS A 84 34.847 -8.048 8.680 1.00 81.38 N ATOM 0 H LYS A 84 29.239 -7.946 9.385 1.00 69.11 H new ATOM 0 HA LYS A 84 31.150 -6.907 10.836 1.00 68.94 H new ATOM 0 HB2 LYS A 84 30.618 -6.416 8.110 1.00 69.70 H new ATOM 0 HB3 LYS A 84 31.926 -5.945 8.817 1.00 69.70 H new ATOM 0 HG2 LYS A 84 32.418 -8.274 9.241 1.00 79.10 H new ATOM 0 HG3 LYS A 84 31.223 -8.631 8.305 1.00 79.10 H new ATOM 0 HD2 LYS A 84 32.978 -8.722 6.875 1.00 82.15 H new ATOM 0 HD3 LYS A 84 32.395 -7.307 6.575 1.00 82.15 H new ATOM 0 HE2 LYS A 84 34.714 -7.133 6.857 1.00 81.06 H new ATOM 0 HE3 LYS A 84 34.004 -6.321 7.983 1.00 81.06 H new ATOM 0 HZ1 LYS A 84 35.726 -7.925 8.619 1.00 81.38 H new ATOM 0 HZ2 LYS A 84 34.570 -7.805 9.490 1.00 81.38 H new ATOM 0 HZ3 LYS A 84 34.658 -8.908 8.548 1.00 81.38 H new ATOM 591 N PHE A 85 28.819 -4.903 10.045 1.00 65.80 N ATOM 592 CA PHE A 85 28.202 -3.644 10.426 1.00 70.12 C ATOM 593 C PHE A 85 28.080 -3.524 11.935 1.00 67.71 C ATOM 594 O PHE A 85 28.496 -2.520 12.523 1.00 65.33 O ATOM 595 CB PHE A 85 26.836 -3.526 9.765 1.00 70.85 C ATOM 596 CG PHE A 85 26.904 -2.991 8.384 1.00 68.90 C ATOM 597 CD1 PHE A 85 27.667 -1.888 8.112 1.00 66.63 C ATOM 598 CD2 PHE A 85 26.226 -3.599 7.347 1.00 74.85 C ATOM 599 CE1 PHE A 85 27.746 -1.380 6.824 1.00 72.28 C ATOM 600 CE2 PHE A 85 26.309 -3.084 6.067 1.00 77.81 C ATOM 601 CZ PHE A 85 27.077 -1.980 5.811 1.00 63.08 C ATOM 0 H PHE A 85 28.339 -5.399 9.533 1.00 65.80 H new ATOM 0 HA PHE A 85 28.768 -2.917 10.122 1.00 70.12 H new ATOM 0 HB2 PHE A 85 26.414 -4.399 9.748 1.00 70.85 H new ATOM 0 HB3 PHE A 85 26.271 -2.949 10.302 1.00 70.85 H new ATOM 0 HD1 PHE A 85 28.138 -1.474 8.799 1.00 66.63 H new ATOM 0 HD2 PHE A 85 25.712 -4.357 7.510 1.00 74.85 H new ATOM 0 HE1 PHE A 85 28.261 -0.624 6.655 1.00 72.28 H new ATOM 0 HE2 PHE A 85 25.840 -3.490 5.375 1.00 77.81 H new ATOM 0 HZ PHE A 85 27.139 -1.644 4.946 1.00 63.08 H new ATOM 602 N TYR A 86 27.480 -4.523 12.574 1.00 67.48 N ATOM 603 CA TYR A 86 27.305 -4.432 14.021 1.00 65.73 C ATOM 604 C TYR A 86 28.649 -4.410 14.743 1.00 67.80 C ATOM 605 O TYR A 86 28.786 -3.740 15.772 1.00 69.69 O ATOM 606 CB TYR A 86 26.435 -5.578 14.536 1.00 61.97 C ATOM 607 CG TYR A 86 24.951 -5.388 14.332 1.00 64.39 C ATOM 608 CD1 TYR A 86 24.194 -4.604 15.200 1.00 77.70 C ATOM 609 CD2 TYR A 86 24.293 -6.018 13.291 1.00 70.54 C ATOM 610 CE1 TYR A 86 22.824 -4.447 15.019 1.00 67.08 C ATOM 611 CE2 TYR A 86 22.930 -5.865 13.105 1.00 71.90 C ATOM 612 CZ TYR A 86 22.206 -5.081 13.964 1.00 70.55 C ATOM 613 OH TYR A 86 20.853 -4.936 13.757 1.00 77.69 O ATOM 0 H TYR A 86 27.176 -5.238 12.206 1.00 67.48 H new ATOM 0 HA TYR A 86 26.853 -3.595 14.210 1.00 65.73 H new ATOM 0 HB2 TYR A 86 26.707 -6.398 14.094 1.00 61.97 H new ATOM 0 HB3 TYR A 86 26.606 -5.696 15.483 1.00 61.97 H new ATOM 0 HD1 TYR A 86 24.612 -4.178 15.913 1.00 77.70 H new ATOM 0 HD2 TYR A 86 24.776 -6.555 12.705 1.00 70.54 H new ATOM 0 HE1 TYR A 86 22.330 -3.919 15.604 1.00 67.08 H new ATOM 0 HE2 TYR A 86 22.506 -6.294 12.397 1.00 71.90 H new ATOM 0 HH TYR A 86 20.624 -5.378 13.080 1.00 77.69 H new ATOM 614 N TYR A 87 29.654 -5.109 14.206 1.00 65.07 N ATOM 615 CA TYR A 87 31.006 -4.996 14.748 1.00 64.11 C ATOM 616 C TYR A 87 31.495 -3.549 14.725 1.00 65.14 C ATOM 617 O TYR A 87 31.931 -3.003 15.744 1.00 62.09 O ATOM 618 CB TYR A 87 31.964 -5.890 13.964 1.00 65.27 C ATOM 619 CG TYR A 87 33.361 -5.907 14.554 1.00 71.18 C ATOM 620 CD1 TYR A 87 33.671 -6.735 15.619 1.00 67.53 C ATOM 621 CD2 TYR A 87 34.366 -5.075 14.057 1.00 71.33 C ATOM 622 CE1 TYR A 87 34.937 -6.752 16.161 1.00 68.67 C ATOM 623 CE2 TYR A 87 35.633 -5.078 14.600 1.00 64.65 C ATOM 624 CZ TYR A 87 35.920 -5.914 15.653 1.00 67.08 C ATOM 625 OH TYR A 87 37.192 -5.938 16.202 1.00 71.64 O ATOM 0 H TYR A 87 29.574 -5.645 13.538 1.00 65.07 H new ATOM 0 HA TYR A 87 30.983 -5.288 15.673 1.00 64.11 H new ATOM 0 HB2 TYR A 87 31.614 -6.794 13.944 1.00 65.27 H new ATOM 0 HB3 TYR A 87 32.008 -5.583 13.045 1.00 65.27 H new ATOM 0 HD1 TYR A 87 33.014 -7.289 15.974 1.00 67.53 H new ATOM 0 HD2 TYR A 87 34.177 -4.507 13.345 1.00 71.33 H new ATOM 0 HE1 TYR A 87 35.133 -7.325 16.867 1.00 68.67 H new ATOM 0 HE2 TYR A 87 36.290 -4.517 14.256 1.00 64.65 H new ATOM 0 HH TYR A 87 37.681 -5.386 15.800 1.00 71.64 H new ATOM 626 N GLU A 88 31.461 -2.918 13.559 1.00 67.04 N ATOM 627 CA GLU A 88 31.952 -1.549 13.495 1.00 64.08 C ATOM 628 C GLU A 88 31.132 -0.612 14.375 1.00 66.85 C ATOM 629 O GLU A 88 31.680 0.325 14.964 1.00 65.92 O ATOM 630 CB GLU A 88 31.967 -1.068 12.052 1.00 60.80 C ATOM 631 CG GLU A 88 32.896 -1.852 11.149 1.00 66.43 C ATOM 632 CD GLU A 88 34.374 -1.740 11.515 1.00 69.54 C ATOM 633 OE1 GLU A 88 34.725 -0.997 12.442 1.00 74.32 O ATOM 634 OE2 GLU A 88 35.197 -2.407 10.862 1.00 76.38 O ATOM 0 H GLU A 88 31.170 -3.248 12.820 1.00 67.04 H new ATOM 0 HA GLU A 88 32.859 -1.539 13.838 1.00 64.08 H new ATOM 0 HB2 GLU A 88 31.066 -1.118 11.695 1.00 60.80 H new ATOM 0 HB3 GLU A 88 32.227 -0.134 12.035 1.00 60.80 H new ATOM 0 HG2 GLU A 88 32.638 -2.787 11.172 1.00 66.43 H new ATOM 0 HG3 GLU A 88 32.776 -1.547 10.236 1.00 66.43 H new ATOM 635 N ALA A 89 29.827 -0.853 14.484 1.00 71.69 N ATOM 636 CA ALA A 89 28.987 -0.053 15.368 1.00 69.54 C ATOM 637 C ALA A 89 29.389 -0.227 16.826 1.00 71.53 C ATOM 638 O ALA A 89 29.236 0.702 17.626 1.00 71.18 O ATOM 639 CB ALA A 89 27.517 -0.429 15.183 1.00 61.40 C ATOM 0 H ALA A 89 29.411 -1.473 14.056 1.00 71.69 H new ATOM 0 HA ALA A 89 29.112 0.879 15.131 1.00 69.54 H new ATOM 0 HB1 ALA A 89 26.968 0.109 15.775 1.00 61.40 H new ATOM 0 HB2 ALA A 89 27.255 -0.267 14.263 1.00 61.40 H new ATOM 0 HB3 ALA A 89 27.394 -1.368 15.393 1.00 61.40 H new ATOM 640 N GLY A 90 29.887 -1.411 17.189 1.00 66.72 N ATOM 641 CA GLY A 90 30.374 -1.607 18.536 1.00 70.64 C ATOM 642 C GLY A 90 31.735 -0.994 18.754 1.00 72.00 C ATOM 643 O GLY A 90 32.066 -0.585 19.873 1.00 78.12 O ATOM 0 H GLY A 90 29.948 -2.097 16.674 1.00 66.72 H new ATOM 0 HA2 GLY A 90 29.744 -1.220 19.164 1.00 70.64 H new ATOM 0 HA3 GLY A 90 30.416 -2.557 18.726 1.00 70.64 H new ATOM 644 N ARG A 91 32.528 -0.914 17.689 1.00 70.79 N ATOM 645 CA ARG A 91 33.912 -0.463 17.765 1.00 68.67 C ATOM 646 C ARG A 91 33.996 1.046 17.925 1.00 69.83 C ATOM 647 O ARG A 91 34.891 1.560 18.603 1.00 76.98 O ATOM 648 CB ARG A 91 34.628 -0.915 16.492 1.00 71.08 C ATOM 649 CG ARG A 91 36.061 -0.549 16.328 1.00 68.79 C ATOM 650 CD ARG A 91 36.502 -0.965 14.927 1.00 71.58 C ATOM 651 NE ARG A 91 37.950 -0.965 14.771 1.00 79.34 N ATOM 652 CZ ARG A 91 38.583 -0.971 13.604 1.00 81.47 C ATOM 653 NH1 ARG A 91 37.889 -0.962 12.472 1.00 80.94 N ATOM 654 NH2 ARG A 91 39.910 -0.971 13.569 1.00 81.07 N ATOM 0 H ARG A 91 32.274 -1.122 16.894 1.00 70.79 H new ATOM 0 HA ARG A 91 34.338 -0.851 18.545 1.00 68.67 H new ATOM 0 HB2 ARG A 91 34.560 -1.881 16.440 1.00 71.08 H new ATOM 0 HB3 ARG A 91 34.141 -0.556 15.734 1.00 71.08 H new ATOM 0 HG2 ARG A 91 36.183 0.405 16.452 1.00 68.79 H new ATOM 0 HG3 ARG A 91 36.603 -0.993 16.999 1.00 68.79 H new ATOM 0 HD2 ARG A 91 36.160 -1.852 14.734 1.00 71.58 H new ATOM 0 HD3 ARG A 91 36.110 -0.362 14.276 1.00 71.58 H new ATOM 0 HE ARG A 91 38.429 -0.961 15.485 1.00 79.34 H new ATOM 0 HH11 ARG A 91 37.029 -0.952 12.495 1.00 80.94 H new ATOM 0 HH12 ARG A 91 38.299 -0.966 11.716 1.00 80.94 H new ATOM 0 HH21 ARG A 91 40.359 -0.967 14.302 1.00 81.07 H new ATOM 0 HH22 ARG A 91 40.320 -0.975 12.813 1.00 81.07 H new ATOM 655 N GLU A 92 33.083 1.776 17.294 1.00 76.83 N ATOM 656 CA GLU A 92 33.254 3.214 17.120 1.00 77.75 C ATOM 657 C GLU A 92 31.888 3.890 17.146 1.00 74.27 C ATOM 658 O GLU A 92 31.018 3.543 16.345 1.00 74.55 O ATOM 659 CB GLU A 92 33.991 3.477 15.807 1.00 73.61 C ATOM 660 CG GLU A 92 34.752 4.765 15.746 1.00 79.06 C ATOM 661 CD GLU A 92 35.688 4.971 16.902 1.00 85.76 C ATOM 662 OE1 GLU A 92 35.287 5.648 17.872 1.00 84.65 O ATOM 663 OE2 GLU A 92 36.833 4.468 16.837 1.00 99.40 O ATOM 0 H GLU A 92 32.357 1.458 16.959 1.00 76.83 H new ATOM 0 HA GLU A 92 33.785 3.584 17.842 1.00 77.75 H new ATOM 0 HB2 GLU A 92 34.608 2.746 15.648 1.00 73.61 H new ATOM 0 HB3 GLU A 92 33.345 3.466 15.083 1.00 73.61 H new ATOM 0 HG2 GLU A 92 35.260 4.792 14.920 1.00 79.06 H new ATOM 0 HG3 GLU A 92 34.122 5.502 15.715 1.00 79.06 H new ATOM 664 N LYS A 93 31.706 4.861 18.052 1.00 72.05 N ATOM 665 CA LYS A 93 30.365 5.385 18.310 1.00 69.72 C ATOM 666 C LYS A 93 29.837 6.197 17.145 1.00 68.46 C ATOM 667 O LYS A 93 28.631 6.185 16.879 1.00 70.30 O ATOM 668 CB LYS A 93 30.348 6.225 19.587 1.00 79.13 C ATOM 669 CG LYS A 93 31.263 7.437 19.561 1.00 91.43 C ATOM 670 CD LYS A 93 31.151 8.246 20.851 1.00 91.98 C ATOM 671 CE LYS A 93 32.329 9.192 21.007 1.00 95.65 C ATOM 672 NZ LYS A 93 33.632 8.471 20.883 1.00 97.23 N ATOM 0 H LYS A 93 32.334 5.221 18.517 1.00 72.05 H new ATOM 0 HA LYS A 93 29.779 4.621 18.426 1.00 69.72 H new ATOM 0 HB2 LYS A 93 29.440 6.524 19.751 1.00 79.13 H new ATOM 0 HB3 LYS A 93 30.600 5.660 20.334 1.00 79.13 H new ATOM 0 HG2 LYS A 93 32.181 7.149 19.436 1.00 91.43 H new ATOM 0 HG3 LYS A 93 31.037 7.999 18.804 1.00 91.43 H new ATOM 0 HD2 LYS A 93 30.324 8.753 20.848 1.00 91.98 H new ATOM 0 HD3 LYS A 93 31.112 7.645 21.611 1.00 91.98 H new ATOM 0 HE2 LYS A 93 32.278 9.888 20.333 1.00 95.65 H new ATOM 0 HE3 LYS A 93 32.281 9.630 21.871 1.00 95.65 H new ATOM 0 HZ1 LYS A 93 34.273 8.945 21.280 1.00 97.23 H new ATOM 0 HZ2 LYS A 93 33.569 7.673 21.273 1.00 97.23 H new ATOM 0 HZ3 LYS A 93 33.832 8.365 20.022 1.00 97.23 H new ATOM 673 N SER A 94 30.713 6.901 16.437 1.00 73.69 N ATOM 674 CA SER A 94 30.279 7.619 15.251 1.00 65.09 C ATOM 675 C SER A 94 29.725 6.659 14.212 1.00 63.70 C ATOM 676 O SER A 94 28.770 6.984 13.504 1.00 68.77 O ATOM 677 CB SER A 94 31.442 8.436 14.686 1.00 72.01 C ATOM 678 OG SER A 94 32.536 7.611 14.267 1.00 71.01 O ATOM 0 H SER A 94 31.549 6.974 16.624 1.00 73.69 H new ATOM 0 HA SER A 94 29.564 8.228 15.495 1.00 65.09 H new ATOM 0 HB2 SER A 94 31.129 8.961 13.933 1.00 72.01 H new ATOM 0 HB3 SER A 94 31.752 9.062 15.359 1.00 72.01 H new ATOM 0 HG SER A 94 33.256 8.035 14.354 1.00 71.01 H new ATOM 679 N VAL A 95 30.285 5.455 14.125 1.00 66.66 N ATOM 680 CA VAL A 95 29.736 4.464 13.208 1.00 60.07 C ATOM 681 C VAL A 95 28.360 4.016 13.679 1.00 62.99 C ATOM 682 O VAL A 95 27.456 3.769 12.871 1.00 66.36 O ATOM 683 CB VAL A 95 30.701 3.275 13.072 1.00 63.26 C ATOM 684 CG1 VAL A 95 30.152 2.244 12.091 1.00 57.48 C ATOM 685 CG2 VAL A 95 32.103 3.743 12.660 1.00 58.69 C ATOM 0 H VAL A 95 30.969 5.197 14.578 1.00 66.66 H new ATOM 0 HA VAL A 95 29.633 4.864 12.331 1.00 60.07 H new ATOM 0 HB VAL A 95 30.779 2.850 13.941 1.00 63.26 H new ATOM 0 HG11 VAL A 95 30.774 1.503 12.019 1.00 57.48 H new ATOM 0 HG12 VAL A 95 29.296 1.918 12.410 1.00 57.48 H new ATOM 0 HG13 VAL A 95 30.037 2.655 11.220 1.00 57.48 H new ATOM 0 HG21 VAL A 95 32.691 2.975 12.581 1.00 58.69 H new ATOM 0 HG22 VAL A 95 32.054 4.201 11.806 1.00 58.69 H new ATOM 0 HG23 VAL A 95 32.452 4.350 13.332 1.00 58.69 H new ATOM 686 N ASP A 96 28.181 3.898 14.989 1.00 63.47 N ATOM 687 CA ASP A 96 26.884 3.506 15.524 1.00 64.95 C ATOM 688 C ASP A 96 25.818 4.538 15.175 1.00 71.64 C ATOM 689 O ASP A 96 24.732 4.198 14.669 1.00 71.56 O ATOM 690 CB ASP A 96 27.007 3.326 17.035 1.00 65.73 C ATOM 691 CG ASP A 96 25.827 2.606 17.642 1.00 70.01 C ATOM 692 OD1 ASP A 96 24.841 2.331 16.937 1.00 74.61 O ATOM 693 OD2 ASP A 96 25.896 2.310 18.841 1.00 71.99 O ATOM 0 H ASP A 96 28.790 4.039 15.580 1.00 63.47 H new ATOM 0 HA ASP A 96 26.609 2.666 15.125 1.00 64.95 H new ATOM 0 HB2 ASP A 96 27.818 2.831 17.232 1.00 65.73 H new ATOM 0 HB3 ASP A 96 27.098 4.197 17.453 1.00 65.73 H new ATOM 694 N GLU A 97 26.110 5.814 15.429 1.00 66.52 N ATOM 695 CA GLU A 97 25.159 6.845 15.056 1.00 68.90 C ATOM 696 C GLU A 97 24.913 6.833 13.555 1.00 68.71 C ATOM 697 O GLU A 97 23.763 6.895 13.106 1.00 67.96 O ATOM 698 CB GLU A 97 25.646 8.221 15.515 1.00 72.88 C ATOM 699 CG GLU A 97 24.478 9.163 15.815 1.00 76.82 C ATOM 700 CD GLU A 97 24.875 10.617 15.785 1.00 85.20 C ATOM 701 OE1 GLU A 97 24.193 11.413 15.093 1.00 80.43 O ATOM 702 OE2 GLU A 97 25.880 10.961 16.445 1.00 92.13 O ATOM 0 H GLU A 97 26.832 6.093 15.805 1.00 66.52 H new ATOM 0 HA GLU A 97 24.318 6.657 15.501 1.00 68.90 H new ATOM 0 HB2 GLU A 97 26.195 8.122 16.309 1.00 72.88 H new ATOM 0 HB3 GLU A 97 26.209 8.611 14.828 1.00 72.88 H new ATOM 0 HG2 GLU A 97 23.772 9.012 15.167 1.00 76.82 H new ATOM 0 HG3 GLU A 97 24.113 8.950 16.688 1.00 76.82 H new ATOM 703 N PHE A 98 25.986 6.742 12.766 1.00 63.66 N ATOM 704 CA PHE A 98 25.851 6.754 11.320 1.00 59.97 C ATOM 705 C PHE A 98 24.935 5.631 10.842 1.00 66.89 C ATOM 706 O PHE A 98 24.012 5.850 10.041 1.00 66.61 O ATOM 707 CB PHE A 98 27.237 6.645 10.687 1.00 62.87 C ATOM 708 CG PHE A 98 27.198 6.420 9.227 1.00 63.27 C ATOM 709 CD1 PHE A 98 26.906 7.468 8.370 1.00 67.77 C ATOM 710 CD2 PHE A 98 27.383 5.155 8.697 1.00 61.29 C ATOM 711 CE1 PHE A 98 26.834 7.255 7.005 1.00 66.48 C ATOM 712 CE2 PHE A 98 27.301 4.938 7.329 1.00 58.12 C ATOM 713 CZ PHE A 98 27.036 5.984 6.486 1.00 57.88 C ATOM 0 H PHE A 98 26.794 6.673 13.052 1.00 63.66 H new ATOM 0 HA PHE A 98 25.441 7.589 11.045 1.00 59.97 H new ATOM 0 HB2 PHE A 98 27.734 7.458 10.869 1.00 62.87 H new ATOM 0 HB3 PHE A 98 27.721 5.917 11.107 1.00 62.87 H new ATOM 0 HD1 PHE A 98 26.758 8.319 8.714 1.00 67.77 H new ATOM 0 HD2 PHE A 98 27.565 4.441 9.265 1.00 61.29 H new ATOM 0 HE1 PHE A 98 26.650 7.965 6.434 1.00 66.48 H new ATOM 0 HE2 PHE A 98 27.426 4.083 6.985 1.00 58.12 H new ATOM 0 HZ PHE A 98 26.992 5.843 5.568 1.00 57.88 H new ATOM 714 N LEU A 99 25.157 4.420 11.344 1.00 63.81 N ATOM 715 CA LEU A 99 24.355 3.294 10.894 1.00 64.96 C ATOM 716 C LEU A 99 22.910 3.419 11.332 1.00 66.48 C ATOM 717 O LEU A 99 22.011 3.080 10.556 1.00 69.18 O ATOM 718 CB LEU A 99 24.937 1.984 11.399 1.00 64.61 C ATOM 719 CG LEU A 99 26.303 1.642 10.843 1.00 64.59 C ATOM 720 CD1 LEU A 99 26.843 0.421 11.581 1.00 65.97 C ATOM 721 CD2 LEU A 99 26.195 1.415 9.338 1.00 59.51 C ATOM 0 H LEU A 99 25.755 4.233 11.934 1.00 63.81 H new ATOM 0 HA LEU A 99 24.375 3.299 9.924 1.00 64.96 H new ATOM 0 HB2 LEU A 99 24.995 2.022 12.366 1.00 64.61 H new ATOM 0 HB3 LEU A 99 24.323 1.266 11.180 1.00 64.61 H new ATOM 0 HG LEU A 99 26.927 2.372 10.979 1.00 64.59 H new ATOM 0 HD11 LEU A 99 27.719 0.193 11.232 1.00 65.97 H new ATOM 0 HD12 LEU A 99 26.914 0.620 12.528 1.00 65.97 H new ATOM 0 HD13 LEU A 99 26.240 -0.328 11.453 1.00 65.97 H new ATOM 0 HD21 LEU A 99 27.069 1.196 8.980 1.00 59.51 H new ATOM 0 HD22 LEU A 99 25.582 0.684 9.164 1.00 59.51 H new ATOM 0 HD23 LEU A 99 25.865 2.221 8.912 1.00 59.51 H new ATOM 722 N LYS A 100 22.655 3.908 12.548 1.00 63.07 N ATOM 723 CA LYS A 100 21.260 4.091 12.952 1.00 69.19 C ATOM 724 C LYS A 100 20.573 5.135 12.080 1.00 63.65 C ATOM 725 O LYS A 100 19.581 4.848 11.403 1.00 65.44 O ATOM 726 CB LYS A 100 21.161 4.468 14.434 1.00 67.51 C ATOM 727 CG LYS A 100 21.431 3.308 15.364 1.00 69.36 C ATOM 728 CD LYS A 100 21.009 3.607 16.785 1.00 76.63 C ATOM 729 CE LYS A 100 21.975 4.555 17.486 1.00 83.95 C ATOM 730 NZ LYS A 100 22.800 3.841 18.517 1.00 87.84 N ATOM 0 H LYS A 100 23.247 4.131 13.131 1.00 63.07 H new ATOM 0 HA LYS A 100 20.801 3.246 12.827 1.00 69.19 H new ATOM 0 HB2 LYS A 100 21.792 5.180 14.623 1.00 67.51 H new ATOM 0 HB3 LYS A 100 20.275 4.819 14.614 1.00 67.51 H new ATOM 0 HG2 LYS A 100 20.958 2.523 15.046 1.00 69.36 H new ATOM 0 HG3 LYS A 100 22.377 3.095 15.347 1.00 69.36 H new ATOM 0 HD2 LYS A 100 20.121 3.997 16.781 1.00 76.63 H new ATOM 0 HD3 LYS A 100 20.952 2.778 17.285 1.00 76.63 H new ATOM 0 HE2 LYS A 100 22.560 4.965 16.830 1.00 83.95 H new ATOM 0 HE3 LYS A 100 21.476 5.272 17.909 1.00 83.95 H new ATOM 0 HZ1 LYS A 100 23.311 4.429 18.948 1.00 87.84 H new ATOM 0 HZ2 LYS A 100 22.262 3.434 19.098 1.00 87.84 H new ATOM 0 HZ3 LYS A 100 23.317 3.236 18.117 1.00 87.84 H new ATOM 731 N LYS A 101 21.115 6.345 12.050 1.00 61.06 N ATOM 732 CA LYS A 101 20.448 7.439 11.357 1.00 68.31 C ATOM 733 C LYS A 101 20.373 7.237 9.844 1.00 67.67 C ATOM 734 O LYS A 101 19.594 7.918 9.174 1.00 72.82 O ATOM 735 CB LYS A 101 21.151 8.755 11.710 1.00 66.47 C ATOM 736 CG LYS A 101 21.206 8.977 13.214 1.00 68.55 C ATOM 737 CD LYS A 101 20.926 10.403 13.659 1.00 72.42 C ATOM 738 CE LYS A 101 20.813 10.446 15.181 1.00 75.88 C ATOM 739 NZ LYS A 101 21.587 11.542 15.825 1.00 78.83 N ATOM 0 H LYS A 101 21.862 6.553 12.421 1.00 61.06 H new ATOM 0 HA LYS A 101 19.527 7.465 11.659 1.00 68.31 H new ATOM 0 HB2 LYS A 101 22.052 8.748 11.350 1.00 66.47 H new ATOM 0 HB3 LYS A 101 20.684 9.494 11.290 1.00 66.47 H new ATOM 0 HG2 LYS A 101 20.564 8.387 13.639 1.00 68.55 H new ATOM 0 HG3 LYS A 101 22.084 8.718 13.534 1.00 68.55 H new ATOM 0 HD2 LYS A 101 21.637 10.991 13.361 1.00 72.42 H new ATOM 0 HD3 LYS A 101 20.105 10.723 13.254 1.00 72.42 H new ATOM 0 HE2 LYS A 101 19.878 10.540 15.422 1.00 75.88 H new ATOM 0 HE3 LYS A 101 21.115 9.597 15.541 1.00 75.88 H new ATOM 0 HZ1 LYS A 101 21.619 11.406 16.704 1.00 78.83 H new ATOM 0 HZ2 LYS A 101 22.414 11.554 15.497 1.00 78.83 H new ATOM 0 HZ3 LYS A 101 21.191 12.322 15.660 1.00 78.83 H new ATOM 740 N THR A 102 21.147 6.324 9.290 1.00 69.54 N ATOM 741 CA THR A 102 21.055 6.057 7.866 1.00 67.78 C ATOM 742 C THR A 102 20.038 4.979 7.545 1.00 69.19 C ATOM 743 O THR A 102 19.750 4.763 6.365 1.00 71.56 O ATOM 744 CB THR A 102 22.425 5.630 7.347 1.00 68.19 C ATOM 745 OG1 THR A 102 23.020 4.735 8.308 1.00 63.86 O ATOM 746 CG2 THR A 102 23.323 6.852 7.150 1.00 64.30 C ATOM 0 H THR A 102 21.727 5.851 9.714 1.00 69.54 H new ATOM 0 HA THR A 102 20.761 6.873 7.432 1.00 67.78 H new ATOM 0 HB THR A 102 22.325 5.184 6.492 1.00 68.19 H new ATOM 0 HG1 THR A 102 23.499 5.174 8.841 1.00 63.86 H new ATOM 0 HG21 THR A 102 24.190 6.567 6.820 1.00 64.30 H new ATOM 0 HG22 THR A 102 22.915 7.454 6.508 1.00 64.30 H new ATOM 0 HG23 THR A 102 23.435 7.312 7.997 1.00 64.30 H new ATOM 747 N LEU A 103 19.522 4.289 8.562 1.00 62.35 N ATOM 748 CA LEU A 103 18.620 3.157 8.404 1.00 57.18 C ATOM 749 C LEU A 103 19.325 1.963 7.774 1.00 71.15 C ATOM 750 O LEU A 103 18.697 1.130 7.109 1.00 73.73 O ATOM 751 CB LEU A 103 17.379 3.531 7.600 1.00 59.48 C ATOM 752 CG LEU A 103 16.701 4.866 7.980 1.00 69.65 C ATOM 753 CD1 LEU A 103 15.489 5.165 7.108 1.00 64.96 C ATOM 754 CD2 LEU A 103 16.338 4.943 9.462 1.00 64.69 C ATOM 0 H LEU A 103 19.694 4.474 9.384 1.00 62.35 H new ATOM 0 HA LEU A 103 18.332 2.902 9.294 1.00 57.18 H new ATOM 0 HB2 LEU A 103 17.623 3.568 6.662 1.00 59.48 H new ATOM 0 HB3 LEU A 103 16.727 2.819 7.696 1.00 59.48 H new ATOM 0 HG LEU A 103 17.364 5.554 7.811 1.00 69.65 H new ATOM 0 HD11 LEU A 103 15.095 6.009 7.379 1.00 64.96 H new ATOM 0 HD12 LEU A 103 15.764 5.221 6.179 1.00 64.96 H new ATOM 0 HD13 LEU A 103 14.835 4.456 7.209 1.00 64.96 H new ATOM 0 HD21 LEU A 103 15.917 5.797 9.648 1.00 64.69 H new ATOM 0 HD22 LEU A 103 15.724 4.225 9.683 1.00 64.69 H new ATOM 0 HD23 LEU A 103 17.142 4.856 9.997 1.00 64.69 H new ATOM 755 N MET A 104 20.632 1.853 8.021 1.00 69.12 N ATOM 756 CA MET A 104 21.437 0.866 7.321 1.00 65.41 C ATOM 757 C MET A 104 20.904 -0.544 7.528 1.00 70.18 C ATOM 758 O MET A 104 20.861 -1.341 6.584 1.00 75.90 O ATOM 759 CB MET A 104 22.887 0.967 7.776 1.00 67.05 C ATOM 760 CG MET A 104 23.846 0.322 6.809 1.00 70.53 C ATOM 761 SD MET A 104 23.789 1.146 5.210 1.00 65.99 S ATOM 762 CE MET A 104 24.986 2.444 5.488 1.00 55.64 C ATOM 0 H MET A 104 21.063 2.338 8.585 1.00 69.12 H new ATOM 0 HA MET A 104 21.387 1.054 6.371 1.00 65.41 H new ATOM 0 HB2 MET A 104 23.123 1.901 7.885 1.00 67.05 H new ATOM 0 HB3 MET A 104 22.979 0.547 8.646 1.00 67.05 H new ATOM 0 HG2 MET A 104 24.747 0.361 7.166 1.00 70.53 H new ATOM 0 HG3 MET A 104 23.623 -0.616 6.703 1.00 70.53 H new ATOM 0 HE1 MET A 104 25.266 2.814 4.636 1.00 55.64 H new ATOM 0 HE2 MET A 104 24.586 3.143 6.028 1.00 55.64 H new ATOM 0 HE3 MET A 104 25.757 2.080 5.951 1.00 55.64 H new ATOM 763 N PHE A 105 20.462 -0.861 8.738 1.00 75.02 N ATOM 764 CA PHE A 105 20.112 -2.232 9.112 1.00 68.12 C ATOM 765 C PHE A 105 18.755 -2.695 8.571 1.00 71.20 C ATOM 766 O PHE A 105 18.666 -3.792 8.003 1.00 76.86 O ATOM 767 CB PHE A 105 20.163 -2.377 10.636 1.00 64.16 C ATOM 768 CG PHE A 105 21.548 -2.328 11.191 1.00 68.15 C ATOM 769 CD1 PHE A 105 22.473 -3.323 10.864 1.00 65.28 C ATOM 770 CD2 PHE A 105 21.936 -1.296 12.027 1.00 63.24 C ATOM 771 CE1 PHE A 105 23.753 -3.292 11.365 1.00 66.76 C ATOM 772 CE2 PHE A 105 23.214 -1.254 12.535 1.00 63.80 C ATOM 773 CZ PHE A 105 24.137 -2.263 12.208 1.00 68.82 C ATOM 0 H PHE A 105 20.355 -0.288 9.370 1.00 75.02 H new ATOM 0 HA PHE A 105 20.770 -2.812 8.697 1.00 68.12 H new ATOM 0 HB2 PHE A 105 19.635 -1.670 11.039 1.00 64.16 H new ATOM 0 HB3 PHE A 105 19.750 -3.218 10.888 1.00 64.16 H new ATOM 0 HD1 PHE A 105 22.219 -4.017 10.299 1.00 65.28 H new ATOM 0 HD2 PHE A 105 21.329 -0.627 12.247 1.00 63.24 H new ATOM 0 HE1 PHE A 105 24.359 -3.960 11.138 1.00 66.76 H new ATOM 0 HE2 PHE A 105 23.468 -0.557 13.096 1.00 63.80 H new ATOM 0 HZ PHE A 105 24.999 -2.239 12.555 1.00 68.82 H new ATOM 774 N PRO A 106 17.672 -1.937 8.734 1.00 68.03 N ATOM 775 CA PRO A 106 16.426 -2.364 8.083 1.00 71.88 C ATOM 776 C PRO A 106 16.529 -2.403 6.564 1.00 75.25 C ATOM 777 O PRO A 106 15.844 -3.207 5.917 1.00 76.67 O ATOM 778 CB PRO A 106 15.401 -1.333 8.574 1.00 68.06 C ATOM 779 CG PRO A 106 16.188 -0.228 9.144 1.00 67.70 C ATOM 780 CD PRO A 106 17.443 -0.810 9.652 1.00 66.70 C ATOM 0 HA PRO A 106 16.185 -3.276 8.311 1.00 71.88 H new ATOM 0 HB2 PRO A 106 14.842 -1.023 7.844 1.00 68.06 H new ATOM 0 HB3 PRO A 106 14.810 -1.719 9.239 1.00 68.06 H new ATOM 0 HG2 PRO A 106 16.370 0.446 8.471 1.00 67.70 H new ATOM 0 HG3 PRO A 106 15.699 0.209 9.858 1.00 67.70 H new ATOM 0 HD2 PRO A 106 18.172 -0.171 9.627 1.00 66.70 H new ATOM 0 HD3 PRO A 106 17.357 -1.106 10.572 1.00 66.70 H new ATOM 781 N ILE A 107 17.409 -1.594 5.973 1.00 73.91 N ATOM 782 CA ILE A 107 17.624 -1.675 4.532 1.00 74.81 C ATOM 783 C ILE A 107 18.402 -2.948 4.166 1.00 77.75 C ATOM 784 O ILE A 107 18.121 -3.592 3.143 1.00 75.20 O ATOM 785 CB ILE A 107 18.327 -0.394 4.038 1.00 71.39 C ATOM 786 CG1 ILE A 107 17.369 0.787 4.090 1.00 75.08 C ATOM 787 CG2 ILE A 107 18.830 -0.553 2.637 1.00 72.33 C ATOM 788 CD1 ILE A 107 18.061 2.130 4.222 1.00 79.82 C ATOM 0 H ILE A 107 17.882 -1.003 6.381 1.00 73.91 H new ATOM 0 HA ILE A 107 16.767 -1.735 4.081 1.00 74.81 H new ATOM 0 HB ILE A 107 19.083 -0.232 4.624 1.00 71.39 H new ATOM 0 HG12 ILE A 107 16.827 0.789 3.285 1.00 75.08 H new ATOM 0 HG13 ILE A 107 16.764 0.669 4.839 1.00 75.08 H new ATOM 0 HG21 ILE A 107 19.266 0.266 2.355 1.00 72.33 H new ATOM 0 HG22 ILE A 107 19.465 -1.285 2.602 1.00 72.33 H new ATOM 0 HG23 ILE A 107 18.085 -0.743 2.045 1.00 72.33 H new ATOM 0 HD11 ILE A 107 17.396 2.836 4.249 1.00 79.82 H new ATOM 0 HD12 ILE A 107 18.583 2.146 5.039 1.00 79.82 H new ATOM 0 HD13 ILE A 107 18.647 2.268 3.462 1.00 79.82 H new ATOM 789 N ILE A 108 19.395 -3.331 4.979 1.00 71.51 N ATOM 790 CA ILE A 108 20.067 -4.601 4.698 1.00 76.86 C ATOM 791 C ILE A 108 19.071 -5.745 4.799 1.00 77.77 C ATOM 792 O ILE A 108 19.046 -6.651 3.948 1.00 76.07 O ATOM 793 CB ILE A 108 21.279 -4.821 5.627 1.00 76.68 C ATOM 794 CG1 ILE A 108 22.340 -3.740 5.441 1.00 82.31 C ATOM 795 CG2 ILE A 108 21.966 -6.107 5.275 1.00 68.50 C ATOM 796 CD1 ILE A 108 23.081 -3.837 4.124 1.00 76.14 C ATOM 0 H ILE A 108 19.681 -2.895 5.663 1.00 71.51 H new ATOM 0 HA ILE A 108 20.413 -4.572 3.792 1.00 76.86 H new ATOM 0 HB ILE A 108 20.932 -4.815 6.533 1.00 76.68 H new ATOM 0 HG12 ILE A 108 21.917 -2.869 5.502 1.00 82.31 H new ATOM 0 HG13 ILE A 108 22.980 -3.797 6.168 1.00 82.31 H new ATOM 0 HG21 ILE A 108 22.727 -6.239 5.862 1.00 68.50 H new ATOM 0 HG22 ILE A 108 21.345 -6.845 5.380 1.00 68.50 H new ATOM 0 HG23 ILE A 108 22.271 -6.070 4.355 1.00 68.50 H new ATOM 0 HD11 ILE A 108 23.738 -3.125 4.069 1.00 76.14 H new ATOM 0 HD12 ILE A 108 23.530 -4.695 4.067 1.00 76.14 H new ATOM 0 HD13 ILE A 108 22.451 -3.753 3.391 1.00 76.14 H new ATOM 797 N ASP A 109 18.219 -5.720 5.831 1.00 74.65 N ATOM 798 CA ASP A 109 17.160 -6.710 5.956 1.00 75.22 C ATOM 799 C ASP A 109 16.310 -6.758 4.690 1.00 79.71 C ATOM 800 O ASP A 109 16.078 -7.828 4.117 1.00 78.45 O ATOM 801 CB ASP A 109 16.283 -6.397 7.166 1.00 74.47 C ATOM 802 CG ASP A 109 16.935 -6.762 8.487 1.00 80.87 C ATOM 803 OD1 ASP A 109 17.886 -7.584 8.502 1.00 73.48 O ATOM 804 OD2 ASP A 109 16.473 -6.229 9.523 1.00 81.78 O ATOM 0 H ASP A 109 18.242 -5.138 6.464 1.00 74.65 H new ATOM 0 HA ASP A 109 17.571 -7.580 6.081 1.00 75.22 H new ATOM 0 HB2 ASP A 109 16.070 -5.451 7.168 1.00 74.47 H new ATOM 0 HB3 ASP A 109 15.444 -6.876 7.083 1.00 74.47 H new ATOM 805 N ARG A 110 15.841 -5.592 4.249 1.00 76.59 N ATOM 806 CA ARG A 110 15.004 -5.519 3.060 1.00 80.97 C ATOM 807 C ARG A 110 15.697 -6.139 1.854 1.00 86.24 C ATOM 808 O ARG A 110 15.104 -6.944 1.121 1.00 92.24 O ATOM 809 CB ARG A 110 14.640 -4.063 2.796 1.00 82.62 C ATOM 810 CG ARG A 110 13.768 -3.868 1.598 1.00 96.98 C ATOM 811 CD ARG A 110 12.425 -3.269 1.964 1.00104.63 C ATOM 812 NE ARG A 110 11.607 -3.094 0.767 1.00108.06 N ATOM 813 CZ ARG A 110 11.644 -2.013 -0.001 1.00107.80 C ATOM 814 NH1 ARG A 110 12.454 -1.009 0.317 1.00101.77 N ATOM 815 NH2 ARG A 110 10.870 -1.936 -1.079 1.00115.42 N ATOM 0 H ARG A 110 15.997 -4.834 4.625 1.00 76.59 H new ATOM 0 HA ARG A 110 14.193 -6.030 3.212 1.00 80.97 H new ATOM 0 HB2 ARG A 110 14.189 -3.704 3.576 1.00 82.62 H new ATOM 0 HB3 ARG A 110 15.455 -3.550 2.679 1.00 82.62 H new ATOM 0 HG2 ARG A 110 14.217 -3.289 0.963 1.00 96.98 H new ATOM 0 HG3 ARG A 110 13.631 -4.721 1.156 1.00 96.98 H new ATOM 0 HD2 ARG A 110 11.967 -3.846 2.595 1.00104.63 H new ATOM 0 HD3 ARG A 110 12.554 -2.414 2.404 1.00104.63 H new ATOM 0 HE ARG A 110 11.070 -3.729 0.547 1.00108.06 H new ATOM 0 HH11 ARG A 110 12.950 -1.062 1.017 1.00101.77 H new ATOM 0 HH12 ARG A 110 12.482 -0.306 -0.177 1.00101.77 H new ATOM 0 HH21 ARG A 110 10.345 -2.587 -1.279 1.00115.42 H new ATOM 0 HH22 ARG A 110 10.894 -1.235 -1.577 1.00115.42 H new ATOM 816 N VAL A 111 16.958 -5.780 1.631 1.00 86.34 N ATOM 817 CA VAL A 111 17.701 -6.358 0.516 1.00 84.85 C ATOM 818 C VAL A 111 17.748 -7.870 0.637 1.00 82.93 C ATOM 819 O VAL A 111 17.560 -8.593 -0.346 1.00 88.69 O ATOM 820 CB VAL A 111 19.113 -5.748 0.444 1.00 84.65 C ATOM 821 CG1 VAL A 111 20.004 -6.551 -0.485 1.00 82.64 C ATOM 822 CG2 VAL A 111 19.033 -4.317 -0.022 1.00 86.70 C ATOM 0 H VAL A 111 17.396 -5.212 2.106 1.00 86.34 H new ATOM 0 HA VAL A 111 17.245 -6.146 -0.313 1.00 84.85 H new ATOM 0 HB VAL A 111 19.502 -5.772 1.332 1.00 84.65 H new ATOM 0 HG11 VAL A 111 20.886 -6.149 -0.515 1.00 82.64 H new ATOM 0 HG12 VAL A 111 20.075 -7.462 -0.159 1.00 82.64 H new ATOM 0 HG13 VAL A 111 19.621 -6.556 -1.376 1.00 82.64 H new ATOM 0 HG21 VAL A 111 19.926 -3.940 -0.065 1.00 86.70 H new ATOM 0 HG22 VAL A 111 18.627 -4.285 -0.902 1.00 86.70 H new ATOM 0 HG23 VAL A 111 18.495 -3.803 0.601 1.00 86.70 H new ATOM 823 N ILE A 112 17.979 -8.377 1.846 1.00 82.70 N ATOM 824 CA ILE A 112 18.066 -9.821 2.036 1.00 90.38 C ATOM 825 C ILE A 112 16.737 -10.490 1.699 1.00 93.09 C ATOM 826 O ILE A 112 16.704 -11.572 1.105 1.00 93.96 O ATOM 827 CB ILE A 112 18.517 -10.147 3.472 1.00 87.38 C ATOM 828 CG1 ILE A 112 19.948 -9.667 3.701 1.00 81.78 C ATOM 829 CG2 ILE A 112 18.426 -11.645 3.740 1.00 87.60 C ATOM 830 CD1 ILE A 112 20.483 -9.980 5.065 1.00 82.36 C ATOM 0 H ILE A 112 18.087 -7.909 2.559 1.00 82.70 H new ATOM 0 HA ILE A 112 18.733 -10.176 1.428 1.00 90.38 H new ATOM 0 HB ILE A 112 17.925 -9.685 4.086 1.00 87.38 H new ATOM 0 HG12 ILE A 112 20.526 -10.072 3.036 1.00 81.78 H new ATOM 0 HG13 ILE A 112 19.984 -8.708 3.561 1.00 81.78 H new ATOM 0 HG21 ILE A 112 18.714 -11.830 4.648 1.00 87.60 H new ATOM 0 HG22 ILE A 112 17.509 -11.939 3.626 1.00 87.60 H new ATOM 0 HG23 ILE A 112 18.998 -12.121 3.117 1.00 87.60 H new ATOM 0 HD11 ILE A 112 21.391 -9.648 5.140 1.00 82.36 H new ATOM 0 HD12 ILE A 112 19.927 -9.554 5.736 1.00 82.36 H new ATOM 0 HD13 ILE A 112 20.477 -10.940 5.203 1.00 82.36 H new ATOM 831 N LYS A 113 15.623 -9.860 2.065 1.00 88.25 N ATOM 832 CA LYS A 113 14.338 -10.477 1.759 1.00 91.96 C ATOM 833 C LYS A 113 14.064 -10.477 0.262 1.00 97.83 C ATOM 834 O LYS A 113 13.642 -11.497 -0.293 1.00 98.11 O ATOM 835 CB LYS A 113 13.196 -9.779 2.492 1.00 94.48 C ATOM 836 CG LYS A 113 11.838 -10.438 2.214 1.00102.44 C ATOM 837 CD LYS A 113 10.727 -9.839 3.060 1.00107.95 C ATOM 838 CE LYS A 113 9.752 -10.901 3.534 1.00103.92 C ATOM 839 NZ LYS A 113 8.969 -10.417 4.705 1.00103.18 N ATOM 0 H LYS A 113 15.588 -9.105 2.475 1.00 88.25 H new ATOM 0 HA LYS A 113 14.387 -11.396 2.065 1.00 91.96 H new ATOM 0 HB2 LYS A 113 13.371 -9.792 3.446 1.00 94.48 H new ATOM 0 HB3 LYS A 113 13.163 -8.848 2.223 1.00 94.48 H new ATOM 0 HG2 LYS A 113 11.617 -10.337 1.275 1.00102.44 H new ATOM 0 HG3 LYS A 113 11.900 -11.390 2.391 1.00102.44 H new ATOM 0 HD2 LYS A 113 11.111 -9.386 3.827 1.00107.95 H new ATOM 0 HD3 LYS A 113 10.252 -9.169 2.544 1.00107.95 H new ATOM 0 HE2 LYS A 113 9.149 -11.137 2.812 1.00103.92 H new ATOM 0 HE3 LYS A 113 10.236 -11.706 3.774 1.00103.92 H new ATOM 0 HZ1 LYS A 113 8.404 -11.052 4.968 1.00103.18 H new ATOM 0 HZ2 LYS A 113 9.524 -10.219 5.372 1.00103.18 H new ATOM 0 HZ3 LYS A 113 8.511 -9.689 4.476 1.00103.18 H new ATOM 840 N LYS A 114 14.279 -9.339 -0.409 1.00 96.13 N ATOM 841 CA LYS A 114 13.903 -9.260 -1.816 1.00 94.73 C ATOM 842 C LYS A 114 14.794 -10.118 -2.703 1.00 96.17 C ATOM 843 O LYS A 114 14.354 -10.533 -3.781 1.00 94.75 O ATOM 844 CB LYS A 114 13.913 -7.807 -2.292 1.00 96.06 C ATOM 845 CG LYS A 114 12.694 -7.010 -1.852 1.00 95.26 C ATOM 846 CD LYS A 114 12.475 -5.762 -2.719 1.00103.82 C ATOM 847 CE LYS A 114 11.196 -5.013 -2.312 1.00109.29 C ATOM 848 NZ LYS A 114 10.743 -3.992 -3.306 1.00110.85 N ATOM 0 H LYS A 114 14.629 -8.627 -0.078 1.00 96.13 H new ATOM 0 HA LYS A 114 13.002 -9.612 -1.891 1.00 94.73 H new ATOM 0 HB2 LYS A 114 14.712 -7.371 -1.957 1.00 96.06 H new ATOM 0 HB3 LYS A 114 13.966 -7.793 -3.260 1.00 96.06 H new ATOM 0 HG2 LYS A 114 11.907 -7.575 -1.896 1.00 95.26 H new ATOM 0 HG3 LYS A 114 12.801 -6.744 -0.925 1.00 95.26 H new ATOM 0 HD2 LYS A 114 13.239 -5.170 -2.635 1.00103.82 H new ATOM 0 HD3 LYS A 114 12.417 -6.021 -3.652 1.00103.82 H new ATOM 0 HE2 LYS A 114 10.484 -5.658 -2.178 1.00109.29 H new ATOM 0 HE3 LYS A 114 11.346 -4.576 -1.459 1.00109.29 H new ATOM 0 HZ1 LYS A 114 9.979 -3.629 -3.031 1.00110.85 H new ATOM 0 HZ2 LYS A 114 11.362 -3.357 -3.383 1.00110.85 H new ATOM 0 HZ3 LYS A 114 10.618 -4.382 -4.096 1.00110.85 H new ATOM 849 N GLU A 115 16.029 -10.391 -2.272 1.00 97.06 N ATOM 850 CA GLU A 115 16.954 -11.300 -2.959 1.00 95.26 C ATOM 851 C GLU A 115 17.177 -10.933 -4.430 1.00 94.22 C ATOM 852 O GLU A 115 17.618 -11.772 -5.220 1.00 97.41 O ATOM 853 CB GLU A 115 16.486 -12.756 -2.858 1.00 96.10 C ATOM 854 CG GLU A 115 16.187 -13.219 -1.446 1.00104.21 C ATOM 855 CD GLU A 115 15.901 -14.712 -1.362 1.00109.06 C ATOM 856 OE1 GLU A 115 15.558 -15.317 -2.402 1.00105.08 O ATOM 857 OE2 GLU A 115 16.030 -15.280 -0.256 1.00104.98 O ATOM 0 H GLU A 115 16.359 -10.046 -1.557 1.00 97.06 H new ATOM 0 HA GLU A 115 17.803 -11.202 -2.501 1.00 95.26 H new ATOM 0 HB2 GLU A 115 15.688 -12.867 -3.399 1.00 96.10 H new ATOM 0 HB3 GLU A 115 17.168 -13.331 -3.238 1.00 96.10 H new ATOM 0 HG2 GLU A 115 16.941 -13.006 -0.874 1.00104.21 H new ATOM 0 HG3 GLU A 115 15.423 -12.728 -1.104 1.00104.21 H new ATOM 858 N SER A 116 16.903 -9.701 -4.835 1.00 91.18 N ATOM 859 CA SER A 116 17.108 -9.329 -6.225 1.00 98.45 C ATOM 860 C SER A 116 18.428 -8.585 -6.411 1.00 97.31 C ATOM 861 O SER A 116 18.927 -7.917 -5.504 1.00 92.58 O ATOM 862 CB SER A 116 15.946 -8.481 -6.749 1.00100.96 C ATOM 863 OG SER A 116 15.846 -7.241 -6.083 1.00104.12 O ATOM 0 H SER A 116 16.602 -9.074 -4.329 1.00 91.18 H new ATOM 0 HA SER A 116 17.145 -10.150 -6.740 1.00 98.45 H new ATOM 0 HB2 SER A 116 16.064 -8.327 -7.699 1.00100.96 H new ATOM 0 HB3 SER A 116 15.116 -8.971 -6.642 1.00100.96 H new ATOM 0 HG SER A 116 15.236 -6.783 -6.434 1.00104.12 H new ATOM 864 N LYS A 117 18.988 -8.726 -7.614 1.00 97.48 N ATOM 865 CA LYS A 117 20.263 -8.103 -7.944 1.00 95.27 C ATOM 866 C LYS A 117 20.114 -6.591 -8.111 1.00 96.83 C ATOM 867 O LYS A 117 20.907 -5.809 -7.562 1.00 91.79 O ATOM 868 CB LYS A 117 20.817 -8.742 -9.219 1.00 98.31 C ATOM 869 CG LYS A 117 22.262 -8.382 -9.540 1.00100.56 C ATOM 870 CD LYS A 117 22.717 -8.956 -10.875 1.00 99.04 C ATOM 871 CE LYS A 117 22.553 -7.950 -11.997 1.00 94.00 C ATOM 872 NZ LYS A 117 23.488 -8.261 -13.119 1.00 98.60 N ATOM 0 H LYS A 117 18.640 -9.182 -8.254 1.00 97.48 H new ATOM 0 HA LYS A 117 20.885 -8.250 -7.214 1.00 95.27 H new ATOM 0 HB2 LYS A 117 20.748 -9.706 -9.139 1.00 98.31 H new ATOM 0 HB3 LYS A 117 20.258 -8.479 -9.967 1.00 98.31 H new ATOM 0 HG2 LYS A 117 22.357 -7.417 -9.556 1.00100.56 H new ATOM 0 HG3 LYS A 117 22.840 -8.712 -8.834 1.00100.56 H new ATOM 0 HD2 LYS A 117 23.647 -9.224 -10.813 1.00 99.04 H new ATOM 0 HD3 LYS A 117 22.204 -9.754 -11.077 1.00 99.04 H new ATOM 0 HE2 LYS A 117 21.638 -7.962 -12.319 1.00 94.00 H new ATOM 0 HE3 LYS A 117 22.725 -7.055 -11.664 1.00 94.00 H new ATOM 0 HZ1 LYS A 117 23.088 -8.090 -13.895 1.00 98.60 H new ATOM 0 HZ2 LYS A 117 24.219 -7.758 -13.045 1.00 98.60 H new ATOM 0 HZ3 LYS A 117 23.716 -9.121 -13.086 1.00 98.60 H new ATOM 873 N LYS A 118 19.108 -6.167 -8.881 1.00 92.36 N ATOM 874 CA LYS A 118 18.845 -4.744 -9.064 1.00 98.61 C ATOM 875 C LYS A 118 18.749 -4.027 -7.725 1.00 92.54 C ATOM 876 O LYS A 118 19.324 -2.947 -7.535 1.00 89.96 O ATOM 877 CB LYS A 118 17.553 -4.557 -9.866 1.00106.23 C ATOM 878 CG LYS A 118 17.235 -3.107 -10.201 1.00108.14 C ATOM 879 CD LYS A 118 15.903 -2.974 -10.927 1.00112.92 C ATOM 880 CE LYS A 118 15.667 -1.534 -11.382 1.00122.50 C ATOM 881 NZ LYS A 118 14.378 -1.376 -12.121 1.00126.15 N ATOM 0 H LYS A 118 18.570 -6.688 -9.303 1.00 92.36 H new ATOM 0 HA LYS A 118 19.585 -4.354 -9.555 1.00 98.61 H new ATOM 0 HB2 LYS A 118 17.620 -5.063 -10.691 1.00106.23 H new ATOM 0 HB3 LYS A 118 16.814 -4.932 -9.362 1.00106.23 H new ATOM 0 HG2 LYS A 118 17.212 -2.584 -9.385 1.00108.14 H new ATOM 0 HG3 LYS A 118 17.943 -2.740 -10.753 1.00108.14 H new ATOM 0 HD2 LYS A 118 15.889 -3.566 -11.696 1.00112.92 H new ATOM 0 HD3 LYS A 118 15.182 -3.254 -10.341 1.00112.92 H new ATOM 0 HE2 LYS A 118 15.668 -0.949 -10.609 1.00122.50 H new ATOM 0 HE3 LYS A 118 16.400 -1.253 -11.951 1.00122.50 H new ATOM 0 HZ1 LYS A 118 14.279 -0.527 -12.367 1.00126.15 H new ATOM 0 HZ2 LYS A 118 14.384 -1.895 -12.844 1.00126.15 H new ATOM 0 HZ3 LYS A 118 13.702 -1.612 -11.593 1.00126.15 H new ATOM 882 N PHE A 119 18.042 -4.635 -6.771 1.00 96.52 N ATOM 883 CA PHE A 119 17.803 -3.974 -5.495 1.00 93.78 C ATOM 884 C PHE A 119 19.091 -3.803 -4.711 1.00 89.80 C ATOM 885 O PHE A 119 19.336 -2.740 -4.127 1.00 88.52 O ATOM 886 CB PHE A 119 16.795 -4.765 -4.683 1.00 95.04 C ATOM 887 CG PHE A 119 16.133 -3.966 -3.616 1.00102.35 C ATOM 888 CD1 PHE A 119 15.358 -2.864 -3.942 1.00103.61 C ATOM 889 CD2 PHE A 119 16.273 -4.319 -2.286 1.00 95.96 C ATOM 890 CE1 PHE A 119 14.739 -2.124 -2.962 1.00 99.76 C ATOM 891 CE2 PHE A 119 15.661 -3.593 -1.305 1.00 94.76 C ATOM 892 CZ PHE A 119 14.889 -2.488 -1.641 1.00104.64 C ATOM 0 H PHE A 119 17.698 -5.420 -6.844 1.00 96.52 H new ATOM 0 HA PHE A 119 17.446 -3.090 -5.675 1.00 93.78 H new ATOM 0 HB2 PHE A 119 16.117 -5.119 -5.279 1.00 95.04 H new ATOM 0 HB3 PHE A 119 17.242 -5.525 -4.278 1.00 95.04 H new ATOM 0 HD1 PHE A 119 15.255 -2.622 -4.834 1.00103.61 H new ATOM 0 HD2 PHE A 119 16.789 -5.058 -2.058 1.00 95.96 H new ATOM 0 HE1 PHE A 119 14.223 -1.384 -3.189 1.00 99.76 H new ATOM 0 HE2 PHE A 119 15.761 -3.838 -0.413 1.00 94.76 H new ATOM 0 HZ PHE A 119 14.472 -1.993 -0.973 1.00104.64 H new ATOM 893 N PHE A 120 19.929 -4.836 -4.687 1.00 87.17 N ATOM 894 CA PHE A 120 21.192 -4.733 -3.975 1.00 82.05 C ATOM 895 C PHE A 120 22.111 -3.707 -4.622 1.00 81.17 C ATOM 896 O PHE A 120 22.845 -2.999 -3.929 1.00 76.78 O ATOM 897 CB PHE A 120 21.865 -6.095 -3.917 1.00 86.46 C ATOM 898 CG PHE A 120 23.306 -6.031 -3.524 1.00 86.46 C ATOM 899 CD1 PHE A 120 23.668 -5.993 -2.190 1.00 78.08 C ATOM 900 CD2 PHE A 120 24.303 -6.006 -4.495 1.00 84.78 C ATOM 901 CE1 PHE A 120 24.987 -5.934 -1.830 1.00 80.38 C ATOM 902 CE2 PHE A 120 25.633 -5.943 -4.142 1.00 82.56 C ATOM 903 CZ PHE A 120 25.978 -5.908 -2.807 1.00 84.22 C ATOM 0 H PHE A 120 19.786 -5.592 -5.071 1.00 87.17 H new ATOM 0 HA PHE A 120 21.009 -4.432 -3.071 1.00 82.05 H new ATOM 0 HB2 PHE A 120 21.389 -6.656 -3.285 1.00 86.46 H new ATOM 0 HB3 PHE A 120 21.792 -6.521 -4.785 1.00 86.46 H new ATOM 0 HD1 PHE A 120 23.010 -6.008 -1.533 1.00 78.08 H new ATOM 0 HD2 PHE A 120 24.068 -6.032 -5.394 1.00 84.78 H new ATOM 0 HE1 PHE A 120 25.222 -5.911 -0.930 1.00 80.38 H new ATOM 0 HE2 PHE A 120 26.292 -5.924 -4.798 1.00 82.56 H new ATOM 0 HZ PHE A 120 26.874 -5.867 -2.559 1.00 84.22 H new ATOM 904 N LEU A 121 22.091 -3.613 -5.952 1.00 86.78 N ATOM 905 CA LEU A 121 22.874 -2.571 -6.615 1.00 81.66 C ATOM 906 C LEU A 121 22.348 -1.184 -6.261 1.00 80.39 C ATOM 907 O LEU A 121 23.122 -0.223 -6.130 1.00 71.29 O ATOM 908 CB LEU A 121 22.851 -2.783 -8.127 1.00 82.97 C ATOM 909 CG LEU A 121 23.994 -3.615 -8.712 1.00 80.81 C ATOM 910 CD1 LEU A 121 24.148 -4.930 -7.995 1.00 83.97 C ATOM 911 CD2 LEU A 121 23.778 -3.848 -10.190 1.00 84.24 C ATOM 0 H LEU A 121 21.644 -4.128 -6.476 1.00 86.78 H new ATOM 0 HA LEU A 121 23.791 -2.630 -6.303 1.00 81.66 H new ATOM 0 HB2 LEU A 121 22.012 -3.210 -8.362 1.00 82.97 H new ATOM 0 HB3 LEU A 121 22.857 -1.913 -8.557 1.00 82.97 H new ATOM 0 HG LEU A 121 24.814 -3.112 -8.588 1.00 80.81 H new ATOM 0 HD11 LEU A 121 24.879 -5.431 -8.390 1.00 83.97 H new ATOM 0 HD12 LEU A 121 24.337 -4.767 -7.058 1.00 83.97 H new ATOM 0 HD13 LEU A 121 23.327 -5.440 -8.075 1.00 83.97 H new ATOM 0 HD21 LEU A 121 24.510 -4.376 -10.545 1.00 84.24 H new ATOM 0 HD22 LEU A 121 22.943 -4.323 -10.324 1.00 84.24 H new ATOM 0 HD23 LEU A 121 23.742 -2.995 -10.650 1.00 84.24 H new ATOM 912 N ASP A 122 21.029 -1.058 -6.108 1.00 81.61 N ATOM 913 CA ASP A 122 20.476 0.213 -5.653 1.00 81.94 C ATOM 914 C ASP A 122 20.978 0.533 -4.255 1.00 82.10 C ATOM 915 O ASP A 122 21.329 1.683 -3.948 1.00 83.89 O ATOM 916 CB ASP A 122 18.949 0.170 -5.681 1.00 90.60 C ATOM 917 CG ASP A 122 18.387 0.098 -7.093 1.00 95.77 C ATOM 918 OD1 ASP A 122 18.901 0.808 -7.984 1.00 95.61 O ATOM 919 OD2 ASP A 122 17.425 -0.670 -7.310 1.00102.88 O ATOM 0 H ASP A 122 20.453 -1.679 -6.258 1.00 81.61 H new ATOM 0 HA ASP A 122 20.771 0.915 -6.254 1.00 81.94 H new ATOM 0 HB2 ASP A 122 18.642 -0.599 -5.176 1.00 90.60 H new ATOM 0 HB3 ASP A 122 18.599 0.959 -5.238 1.00 90.60 H new ATOM 920 N TYR A 123 21.035 -0.487 -3.398 1.00 76.95 N ATOM 921 CA TYR A 123 21.570 -0.277 -2.063 1.00 67.87 C ATOM 922 C TYR A 123 23.013 0.170 -2.134 1.00 70.25 C ATOM 923 O TYR A 123 23.454 1.000 -1.332 1.00 69.93 O ATOM 924 CB TYR A 123 21.470 -1.547 -1.225 1.00 71.94 C ATOM 925 CG TYR A 123 22.419 -1.502 -0.041 1.00 68.57 C ATOM 926 CD1 TYR A 123 22.119 -0.735 1.085 1.00 62.86 C ATOM 927 CD2 TYR A 123 23.630 -2.191 -0.069 1.00 59.90 C ATOM 928 CE1 TYR A 123 22.972 -0.679 2.156 1.00 60.70 C ATOM 929 CE2 TYR A 123 24.486 -2.139 0.982 1.00 59.36 C ATOM 930 CZ TYR A 123 24.159 -1.384 2.105 1.00 62.55 C ATOM 931 OH TYR A 123 25.030 -1.329 3.172 1.00 64.20 O ATOM 0 H TYR A 123 20.775 -1.289 -3.568 1.00 76.95 H new ATOM 0 HA TYR A 123 21.040 0.417 -1.640 1.00 67.87 H new ATOM 0 HB2 TYR A 123 20.560 -1.658 -0.909 1.00 71.94 H new ATOM 0 HB3 TYR A 123 21.674 -2.318 -1.777 1.00 71.94 H new ATOM 0 HD1 TYR A 123 21.325 -0.252 1.109 1.00 62.86 H new ATOM 0 HD2 TYR A 123 23.854 -2.693 -0.819 1.00 59.90 H new ATOM 0 HE1 TYR A 123 22.755 -0.174 2.906 1.00 60.70 H new ATOM 0 HE2 TYR A 123 25.289 -2.607 0.952 1.00 59.36 H new ATOM 0 HH TYR A 123 24.777 -0.735 3.710 1.00 64.20 H new ATOM 932 N CYS A 124 23.774 -0.414 -3.066 1.00 69.92 N ATOM 933 CA CYS A 124 25.174 -0.057 -3.231 1.00 62.23 C ATOM 934 C CYS A 124 25.313 1.386 -3.653 1.00 64.64 C ATOM 935 O CYS A 124 26.229 2.081 -3.210 1.00 65.69 O ATOM 936 CB CYS A 124 25.834 -0.951 -4.267 1.00 68.81 C ATOM 937 SG CYS A 124 26.128 -2.612 -3.761 1.00 79.13 S ATOM 0 H CYS A 124 23.493 -1.018 -3.609 1.00 69.92 H new ATOM 0 HA CYS A 124 25.614 -0.180 -2.375 1.00 62.23 H new ATOM 0 HB2 CYS A 124 25.277 -0.965 -5.061 1.00 68.81 H new ATOM 0 HB3 CYS A 124 26.681 -0.553 -4.522 1.00 68.81 H new ATOM 0 HG CYS A 124 25.540 -3.363 -4.489 1.00 79.13 H new ATOM 938 N LYS A 125 24.426 1.853 -4.528 1.00 71.09 N ATOM 939 CA LYS A 125 24.451 3.270 -4.862 1.00 69.14 C ATOM 940 C LYS A 125 24.160 4.113 -3.629 1.00 72.10 C ATOM 941 O LYS A 125 24.811 5.143 -3.396 1.00 68.15 O ATOM 942 CB LYS A 125 23.461 3.581 -5.981 1.00 74.66 C ATOM 943 CG LYS A 125 24.057 4.450 -7.102 1.00 76.43 C ATOM 944 CD LYS A 125 22.988 5.239 -7.876 1.00 82.33 C ATOM 945 CE LYS A 125 23.629 6.173 -8.908 1.00 78.82 C ATOM 946 NZ LYS A 125 22.639 7.074 -9.559 1.00 91.56 N ATOM 0 H LYS A 125 23.824 1.385 -4.925 1.00 71.09 H new ATOM 0 HA LYS A 125 25.340 3.493 -5.180 1.00 69.14 H new ATOM 0 HB2 LYS A 125 23.142 2.748 -6.362 1.00 74.66 H new ATOM 0 HB3 LYS A 125 22.690 4.034 -5.605 1.00 74.66 H new ATOM 0 HG2 LYS A 125 24.697 5.070 -6.719 1.00 76.43 H new ATOM 0 HG3 LYS A 125 24.546 3.884 -7.720 1.00 76.43 H new ATOM 0 HD2 LYS A 125 22.387 4.622 -8.323 1.00 82.33 H new ATOM 0 HD3 LYS A 125 22.452 5.757 -7.255 1.00 82.33 H new ATOM 0 HE2 LYS A 125 24.312 6.708 -8.474 1.00 78.82 H new ATOM 0 HE3 LYS A 125 24.074 5.642 -9.587 1.00 78.82 H new ATOM 0 HZ1 LYS A 125 23.055 7.596 -10.148 1.00 91.56 H new ATOM 0 HZ2 LYS A 125 22.024 6.586 -9.978 1.00 91.56 H new ATOM 0 HZ3 LYS A 125 22.246 7.579 -8.941 1.00 91.56 H new ATOM 947 N TYR A 126 23.202 3.679 -2.811 1.00 65.89 N ATOM 948 CA TYR A 126 22.875 4.453 -1.622 1.00 68.98 C ATOM 949 C TYR A 126 24.075 4.542 -0.679 1.00 70.60 C ATOM 950 O TYR A 126 24.419 5.623 -0.178 1.00 69.89 O ATOM 951 CB TYR A 126 21.661 3.846 -0.921 1.00 72.40 C ATOM 952 CG TYR A 126 21.354 4.455 0.426 1.00 71.61 C ATOM 953 CD1 TYR A 126 21.089 5.817 0.556 1.00 72.18 C ATOM 954 CD2 TYR A 126 21.316 3.668 1.567 1.00 67.67 C ATOM 955 CE1 TYR A 126 20.802 6.382 1.799 1.00 73.48 C ATOM 956 CE2 TYR A 126 21.027 4.217 2.807 1.00 74.71 C ATOM 957 CZ TYR A 126 20.764 5.576 2.920 1.00 74.36 C ATOM 958 OH TYR A 126 20.494 6.107 4.167 1.00 68.03 O ATOM 0 H TYR A 126 22.743 2.960 -2.923 1.00 65.89 H new ATOM 0 HA TYR A 126 22.652 5.358 -1.891 1.00 68.98 H new ATOM 0 HB2 TYR A 126 20.885 3.947 -1.495 1.00 72.40 H new ATOM 0 HB3 TYR A 126 21.808 2.894 -0.808 1.00 72.40 H new ATOM 0 HD1 TYR A 126 21.104 6.359 -0.199 1.00 72.18 H new ATOM 0 HD2 TYR A 126 21.487 2.756 1.499 1.00 67.67 H new ATOM 0 HE1 TYR A 126 20.638 7.294 1.872 1.00 73.48 H new ATOM 0 HE2 TYR A 126 21.009 3.675 3.563 1.00 74.71 H new ATOM 0 HH TYR A 126 20.294 5.488 4.698 1.00 68.03 H new ATOM 959 N PHE A 127 24.729 3.405 -0.447 1.00 66.03 N ATOM 960 CA PHE A 127 25.899 3.377 0.427 1.00 65.78 C ATOM 961 C PHE A 127 27.021 4.232 -0.147 1.00 62.29 C ATOM 962 O PHE A 127 27.692 4.979 0.582 1.00 65.21 O ATOM 963 CB PHE A 127 26.340 1.920 0.617 1.00 69.19 C ATOM 964 CG PHE A 127 27.616 1.750 1.407 1.00 63.14 C ATOM 965 CD1 PHE A 127 28.852 1.796 0.778 1.00 64.95 C ATOM 966 CD2 PHE A 127 27.576 1.483 2.760 1.00 62.80 C ATOM 967 CE1 PHE A 127 30.014 1.628 1.491 1.00 65.16 C ATOM 968 CE2 PHE A 127 28.741 1.313 3.474 1.00 62.22 C ATOM 969 CZ PHE A 127 29.960 1.383 2.841 1.00 62.85 C ATOM 0 H PHE A 127 24.513 2.644 -0.784 1.00 66.03 H new ATOM 0 HA PHE A 127 25.672 3.752 1.292 1.00 65.78 H new ATOM 0 HB2 PHE A 127 25.629 1.434 1.064 1.00 69.19 H new ATOM 0 HB3 PHE A 127 26.457 1.513 -0.256 1.00 69.19 H new ATOM 0 HD1 PHE A 127 28.894 1.943 -0.139 1.00 64.95 H new ATOM 0 HD2 PHE A 127 26.756 1.417 3.193 1.00 62.80 H new ATOM 0 HE1 PHE A 127 30.836 1.680 1.060 1.00 65.16 H new ATOM 0 HE2 PHE A 127 28.703 1.150 4.389 1.00 62.22 H new ATOM 0 HZ PHE A 127 30.745 1.265 3.326 1.00 62.85 H new ATOM 970 N GLU A 128 27.222 4.149 -1.461 1.00 62.03 N ATOM 971 CA GLU A 128 28.299 4.871 -2.119 1.00 59.96 C ATOM 972 C GLU A 128 28.115 6.378 -1.985 1.00 62.30 C ATOM 973 O GLU A 128 29.071 7.112 -1.685 1.00 60.33 O ATOM 974 CB GLU A 128 28.347 4.434 -3.586 1.00 62.17 C ATOM 975 CG GLU A 128 29.163 5.282 -4.508 1.00 66.50 C ATOM 976 CD GLU A 128 29.250 4.692 -5.886 1.00 71.58 C ATOM 977 OE1 GLU A 128 30.320 4.806 -6.524 1.00 87.56 O ATOM 978 OE2 GLU A 128 28.264 4.089 -6.336 1.00 72.69 O ATOM 0 H GLU A 128 26.739 3.674 -1.991 1.00 62.03 H new ATOM 0 HA GLU A 128 29.145 4.660 -1.694 1.00 59.96 H new ATOM 0 HB2 GLU A 128 28.692 3.528 -3.622 1.00 62.17 H new ATOM 0 HB3 GLU A 128 27.438 4.405 -3.924 1.00 62.17 H new ATOM 0 HG2 GLU A 128 28.773 6.169 -4.561 1.00 66.50 H new ATOM 0 HG3 GLU A 128 30.056 5.386 -4.145 1.00 66.50 H new ATOM 979 N ALA A 129 26.874 6.850 -2.171 1.00 61.54 N ATOM 980 CA ALA A 129 26.582 8.269 -2.000 1.00 56.61 C ATOM 981 C ALA A 129 26.681 8.690 -0.538 1.00 60.63 C ATOM 982 O ALA A 129 27.166 9.792 -0.239 1.00 55.77 O ATOM 983 CB ALA A 129 25.205 8.593 -2.571 1.00 65.46 C ATOM 0 H ALA A 129 26.199 6.367 -2.394 1.00 61.54 H new ATOM 0 HA ALA A 129 27.249 8.776 -2.489 1.00 56.61 H new ATOM 0 HB1 ALA A 129 25.020 9.538 -2.453 1.00 65.46 H new ATOM 0 HB2 ALA A 129 25.187 8.376 -3.516 1.00 65.46 H new ATOM 0 HB3 ALA A 129 24.531 8.071 -2.107 1.00 65.46 H new ATOM 984 N LEU A 130 26.241 7.829 0.389 1.00 61.75 N ATOM 985 CA LEU A 130 26.453 8.117 1.807 1.00 63.58 C ATOM 986 C LEU A 130 27.919 8.406 2.084 1.00 62.94 C ATOM 987 O LEU A 130 28.253 9.415 2.719 1.00 60.58 O ATOM 988 CB LEU A 130 25.975 6.961 2.698 1.00 61.28 C ATOM 989 CG LEU A 130 24.478 6.743 2.928 1.00 62.90 C ATOM 990 CD1 LEU A 130 24.233 5.532 3.782 1.00 54.91 C ATOM 991 CD2 LEU A 130 23.807 7.980 3.540 1.00 65.32 C ATOM 0 H LEU A 130 25.829 7.093 0.221 1.00 61.75 H new ATOM 0 HA LEU A 130 25.927 8.903 2.021 1.00 63.58 H new ATOM 0 HB2 LEU A 130 26.332 6.141 2.323 1.00 61.28 H new ATOM 0 HB3 LEU A 130 26.387 7.078 3.568 1.00 61.28 H new ATOM 0 HG LEU A 130 24.076 6.592 2.058 1.00 62.90 H new ATOM 0 HD11 LEU A 130 23.279 5.416 3.913 1.00 54.91 H new ATOM 0 HD12 LEU A 130 24.597 4.747 3.343 1.00 54.91 H new ATOM 0 HD13 LEU A 130 24.665 5.650 4.642 1.00 54.91 H new ATOM 0 HD21 LEU A 130 22.862 7.804 3.671 1.00 65.32 H new ATOM 0 HD22 LEU A 130 24.219 8.182 4.394 1.00 65.32 H new ATOM 0 HD23 LEU A 130 23.915 8.736 2.942 1.00 65.32 H new ATOM 992 N VAL A 131 28.814 7.534 1.598 1.00 61.16 N ATOM 993 CA VAL A 131 30.228 7.751 1.889 1.00 57.59 C ATOM 994 C VAL A 131 30.725 9.011 1.203 1.00 59.72 C ATOM 995 O VAL A 131 31.420 9.819 1.815 1.00 66.08 O ATOM 996 CB VAL A 131 31.096 6.541 1.501 1.00 62.77 C ATOM 997 CG1 VAL A 131 32.571 6.861 1.757 1.00 57.85 C ATOM 998 CG2 VAL A 131 30.689 5.296 2.257 1.00 59.46 C ATOM 0 H VAL A 131 28.631 6.843 1.120 1.00 61.16 H new ATOM 0 HA VAL A 131 30.310 7.863 2.849 1.00 57.59 H new ATOM 0 HB VAL A 131 30.962 6.364 0.557 1.00 62.77 H new ATOM 0 HG11 VAL A 131 33.115 6.097 1.512 1.00 57.85 H new ATOM 0 HG12 VAL A 131 32.833 7.628 1.225 1.00 57.85 H new ATOM 0 HG13 VAL A 131 32.700 7.061 2.697 1.00 57.85 H new ATOM 0 HG21 VAL A 131 31.255 4.555 1.989 1.00 59.46 H new ATOM 0 HG22 VAL A 131 30.787 5.449 3.210 1.00 59.46 H new ATOM 0 HG23 VAL A 131 29.764 5.084 2.058 1.00 59.46 H new ATOM 999 N ALA A 132 30.413 9.180 -0.082 1.00 58.92 N ATOM 1000 CA ALA A 132 30.833 10.385 -0.796 1.00 59.29 C ATOM 1001 C ALA A 132 30.449 11.652 -0.044 1.00 62.56 C ATOM 1002 O ALA A 132 31.284 12.545 0.156 1.00 69.80 O ATOM 1003 CB ALA A 132 30.223 10.410 -2.196 1.00 62.65 C ATOM 0 H ALA A 132 29.965 8.617 -0.553 1.00 58.92 H new ATOM 0 HA ALA A 132 31.800 10.360 -0.864 1.00 59.29 H new ATOM 0 HB1 ALA A 132 30.508 11.213 -2.659 1.00 62.65 H new ATOM 0 HB2 ALA A 132 30.517 9.630 -2.691 1.00 62.65 H new ATOM 0 HB3 ALA A 132 29.255 10.403 -2.128 1.00 62.65 H new ATOM 1004 N TYR A 133 29.177 11.757 0.359 1.00 61.97 N ATOM 1005 CA TYR A 133 28.719 12.960 1.047 1.00 63.56 C ATOM 1006 C TYR A 133 29.386 13.093 2.398 1.00 64.70 C ATOM 1007 O TYR A 133 29.808 14.191 2.777 1.00 73.58 O ATOM 1008 CB TYR A 133 27.194 12.973 1.195 1.00 65.63 C ATOM 1009 CG TYR A 133 26.501 13.349 -0.082 1.00 69.30 C ATOM 1010 CD1 TYR A 133 26.727 14.594 -0.670 1.00 70.36 C ATOM 1011 CD2 TYR A 133 25.631 12.472 -0.713 1.00 66.64 C ATOM 1012 CE1 TYR A 133 26.113 14.952 -1.847 1.00 75.60 C ATOM 1013 CE2 TYR A 133 25.008 12.826 -1.907 1.00 71.67 C ATOM 1014 CZ TYR A 133 25.252 14.068 -2.467 1.00 76.58 C ATOM 1015 OH TYR A 133 24.638 14.436 -3.648 1.00 72.87 O ATOM 0 H TYR A 133 28.576 11.152 0.244 1.00 61.97 H new ATOM 0 HA TYR A 133 28.971 13.723 0.504 1.00 63.56 H new ATOM 0 HB2 TYR A 133 26.891 12.096 1.479 1.00 65.63 H new ATOM 0 HB3 TYR A 133 26.944 13.599 1.893 1.00 65.63 H new ATOM 0 HD1 TYR A 133 27.305 15.194 -0.257 1.00 70.36 H new ATOM 0 HD2 TYR A 133 25.462 11.639 -0.335 1.00 66.64 H new ATOM 0 HE1 TYR A 133 26.277 15.786 -2.224 1.00 75.60 H new ATOM 0 HE2 TYR A 133 24.430 12.230 -2.327 1.00 71.67 H new ATOM 0 HH TYR A 133 24.146 13.810 -3.915 1.00 72.87 H new ATOM 1016 N ALA A 134 29.533 11.983 3.123 1.00 65.16 N ATOM 1017 CA ALA A 134 30.329 12.022 4.340 1.00 69.85 C ATOM 1018 C ALA A 134 31.705 12.610 4.066 1.00 71.77 C ATOM 1019 O ALA A 134 32.177 13.476 4.809 1.00 79.02 O ATOM 1020 CB ALA A 134 30.438 10.624 4.940 1.00 62.82 C ATOM 0 H ALA A 134 29.189 11.219 2.931 1.00 65.16 H new ATOM 0 HA ALA A 134 29.886 12.597 4.984 1.00 69.85 H new ATOM 0 HB1 ALA A 134 30.970 10.660 5.750 1.00 62.82 H new ATOM 0 HB2 ALA A 134 29.551 10.292 5.150 1.00 62.82 H new ATOM 0 HB3 ALA A 134 30.862 10.030 4.301 1.00 62.82 H new ATOM 1021 N LYS A 135 32.343 12.177 2.979 1.00 65.69 N ATOM 1022 CA LYS A 135 33.665 12.679 2.637 1.00 71.72 C ATOM 1023 C LYS A 135 33.629 14.185 2.385 1.00 74.45 C ATOM 1024 O LYS A 135 34.463 14.932 2.905 1.00 74.42 O ATOM 1025 CB LYS A 135 34.200 11.927 1.417 1.00 70.18 C ATOM 1026 CG LYS A 135 35.583 12.381 0.954 1.00 70.36 C ATOM 1027 CD LYS A 135 36.609 12.127 2.035 1.00 71.75 C ATOM 1028 CE LYS A 135 38.000 12.544 1.615 1.00 74.26 C ATOM 1029 NZ LYS A 135 39.027 11.988 2.540 1.00 74.91 N ATOM 0 H LYS A 135 32.026 11.595 2.431 1.00 65.69 H new ATOM 0 HA LYS A 135 34.264 12.525 3.385 1.00 71.72 H new ATOM 0 HB2 LYS A 135 34.235 10.980 1.624 1.00 70.18 H new ATOM 0 HB3 LYS A 135 33.574 12.035 0.684 1.00 70.18 H new ATOM 0 HG2 LYS A 135 35.832 11.906 0.145 1.00 70.36 H new ATOM 0 HG3 LYS A 135 35.563 13.325 0.734 1.00 70.36 H new ATOM 0 HD2 LYS A 135 36.357 12.611 2.837 1.00 71.75 H new ATOM 0 HD3 LYS A 135 36.611 11.184 2.261 1.00 71.75 H new ATOM 0 HE2 LYS A 135 38.174 12.237 0.711 1.00 74.26 H new ATOM 0 HE3 LYS A 135 38.061 13.512 1.603 1.00 74.26 H new ATOM 0 HZ1 LYS A 135 39.837 12.245 2.274 1.00 74.91 H new ATOM 0 HZ2 LYS A 135 38.877 12.287 3.365 1.00 74.91 H new ATOM 0 HZ3 LYS A 135 38.982 11.099 2.534 1.00 74.91 H new ATOM 1030 N TYR A 136 32.650 14.647 1.606 1.00 72.01 N ATOM 1031 CA TYR A 136 32.534 16.064 1.268 1.00 77.95 C ATOM 1032 C TYR A 136 32.323 16.947 2.496 1.00 79.23 C ATOM 1033 O TYR A 136 32.592 18.148 2.441 1.00 81.87 O ATOM 1034 CB TYR A 136 31.382 16.260 0.272 1.00 77.52 C ATOM 1035 CG TYR A 136 31.095 17.700 -0.089 1.00 81.97 C ATOM 1036 CD1 TYR A 136 31.851 18.365 -1.045 1.00 81.23 C ATOM 1037 CD2 TYR A 136 30.057 18.398 0.524 1.00 87.72 C ATOM 1038 CE1 TYR A 136 31.590 19.682 -1.376 1.00 81.26 C ATOM 1039 CE2 TYR A 136 29.794 19.716 0.204 1.00 86.19 C ATOM 1040 CZ TYR A 136 30.559 20.354 -0.745 1.00 81.40 C ATOM 1041 OH TYR A 136 30.286 21.671 -1.055 1.00 78.30 O ATOM 0 H TYR A 136 32.039 14.150 1.261 1.00 72.01 H new ATOM 0 HA TYR A 136 33.374 16.338 0.867 1.00 77.95 H new ATOM 0 HB2 TYR A 136 31.586 15.771 -0.540 1.00 77.52 H new ATOM 0 HB3 TYR A 136 30.578 15.867 0.645 1.00 77.52 H new ATOM 0 HD1 TYR A 136 32.546 17.916 -1.471 1.00 81.23 H new ATOM 0 HD2 TYR A 136 29.532 17.969 1.160 1.00 87.72 H new ATOM 0 HE1 TYR A 136 32.105 20.113 -2.019 1.00 81.26 H new ATOM 0 HE2 TYR A 136 29.102 20.170 0.629 1.00 86.19 H new ATOM 0 HH TYR A 136 29.637 21.939 -0.594 1.00 78.30 H new ATOM 1042 N TYR A 137 31.852 16.390 3.596 1.00 74.74 N ATOM 1043 CA TYR A 137 31.603 17.136 4.826 1.00 76.68 C ATOM 1044 C TYR A 137 32.498 16.527 5.895 1.00 85.47 C ATOM 1045 O TYR A 137 32.128 15.521 6.502 1.00 89.85 O ATOM 1046 CB TYR A 137 30.133 17.051 5.249 1.00 75.87 C ATOM 1047 CG TYR A 137 29.105 17.626 4.289 1.00 81.09 C ATOM 1048 CD1 TYR A 137 28.982 18.999 4.109 1.00 79.89 C ATOM 1049 CD2 TYR A 137 28.224 16.795 3.601 1.00 80.02 C ATOM 1050 CE1 TYR A 137 28.038 19.534 3.249 1.00 78.96 C ATOM 1051 CE2 TYR A 137 27.269 17.323 2.731 1.00 83.01 C ATOM 1052 CZ TYR A 137 27.182 18.698 2.565 1.00 83.81 C ATOM 1053 OH TYR A 137 26.242 19.234 1.713 1.00 84.00 O ATOM 0 H TYR A 137 31.663 15.553 3.655 1.00 74.74 H new ATOM 0 HA TYR A 137 31.798 18.077 4.693 1.00 76.68 H new ATOM 0 HB2 TYR A 137 29.916 16.118 5.400 1.00 75.87 H new ATOM 0 HB3 TYR A 137 30.038 17.505 6.101 1.00 75.87 H new ATOM 0 HD1 TYR A 137 29.547 19.571 4.577 1.00 79.89 H new ATOM 0 HD2 TYR A 137 28.273 15.874 3.723 1.00 80.02 H new ATOM 0 HE1 TYR A 137 27.982 20.455 3.133 1.00 78.96 H new ATOM 0 HE2 TYR A 137 26.695 16.758 2.266 1.00 83.01 H new ATOM 0 HH TYR A 137 25.716 18.630 1.460 1.00 84.00 H new ATOM 1054 N GLN A 138 33.671 17.101 6.143 1.00 93.20 N ATOM 1055 CA GLN A 138 34.568 16.443 7.090 1.00 90.92 C ATOM 1056 C GLN A 138 35.569 17.444 7.636 1.00103.74 C ATOM 1057 O GLN A 138 36.351 18.008 6.865 1.00111.60 O ATOM 1058 CB GLN A 138 35.284 15.276 6.416 1.00 94.88 C ATOM 1059 CG GLN A 138 35.464 14.025 7.284 1.00 97.00 C ATOM 1060 CD GLN A 138 36.132 12.875 6.522 1.00 90.52 C ATOM 1061 OE1 GLN A 138 35.877 12.670 5.339 1.00 89.58 O ATOM 1062 NE2 GLN A 138 36.992 12.131 7.200 1.00 92.89 N ATOM 0 H GLN A 138 33.957 17.833 5.795 1.00 93.20 H new ATOM 0 HA GLN A 138 34.047 16.093 7.829 1.00 90.92 H new ATOM 0 HB2 GLN A 138 34.789 15.030 5.619 1.00 94.88 H new ATOM 0 HB3 GLN A 138 36.159 15.578 6.125 1.00 94.88 H new ATOM 0 HG2 GLN A 138 35.999 14.248 8.061 1.00 97.00 H new ATOM 0 HG3 GLN A 138 34.598 13.734 7.610 1.00 97.00 H new ATOM 0 HE21 GLN A 138 37.148 12.301 8.028 1.00 92.89 H new ATOM 0 HE22 GLN A 138 37.394 11.477 6.812 1.00 92.89 H new ATOM 1063 N LYS A 139 35.534 17.651 8.956 1.00105.04 N ATOM 1064 CA LYS A 139 36.568 18.352 9.732 1.00110.34 C ATOM 1065 C LYS A 139 37.441 19.332 8.952 1.00110.21 C ATOM 1066 O LYS A 139 38.594 19.567 9.308 1.00120.22 O ATOM 1067 CB LYS A 139 37.474 17.321 10.422 1.00111.74 C ATOM 1068 CG LYS A 139 38.262 16.430 9.465 1.00108.14 C ATOM 1069 CD LYS A 139 39.042 15.358 10.202 1.00100.19 C ATOM 1070 CE LYS A 139 39.714 14.398 9.227 1.00 93.45 C ATOM 1071 NZ LYS A 139 40.481 13.320 9.924 1.00 86.91 N ATOM 0 H LYS A 139 34.882 17.376 9.444 1.00105.04 H new ATOM 0 HA LYS A 139 36.075 18.896 10.366 1.00110.34 H new ATOM 0 HB2 LYS A 139 38.098 17.790 10.998 1.00111.74 H new ATOM 0 HB3 LYS A 139 36.928 16.759 10.994 1.00111.74 H new ATOM 0 HG2 LYS A 139 37.652 16.012 8.837 1.00108.14 H new ATOM 0 HG3 LYS A 139 38.874 16.975 8.946 1.00108.14 H new ATOM 0 HD2 LYS A 139 39.713 15.773 10.766 1.00100.19 H new ATOM 0 HD3 LYS A 139 38.446 14.865 10.787 1.00100.19 H new ATOM 0 HE2 LYS A 139 39.040 13.995 8.658 1.00 93.45 H new ATOM 0 HE3 LYS A 139 40.313 14.895 8.649 1.00 93.45 H new ATOM 0 HZ1 LYS A 139 40.721 12.698 9.335 1.00 86.91 H new ATOM 0 HZ2 LYS A 139 41.209 13.669 10.300 1.00 86.91 H new ATOM 0 HZ3 LYS A 139 39.971 12.951 10.553 1.00 86.91 H new TER 1072 LYS A 139 END