HEADER HYDROLASE 28-APR-98 1BB3 TITLE HUMAN LYSOZYME MUTANT A96L COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A, B; COMPND 4 EC: 3.2.1.17; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: PICHIA PASTORIS; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 4922 KEYWDS HYDROLASE, LYSOZYME, GLYCOSIDASE EXPDTA X-RAY DIFFRACTION AUTHOR A.G.HEADLEY,S.M.ROE,L.H.PEARL REVDAT 2 24-FEB-09 1BB3 1 VERSN REVDAT 1 12-AUG-98 1BB3 0 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0010 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.5 REMARK 3 NUMBER OF REFLECTIONS : 29161 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.188 REMARK 3 FREE R VALUE : 0.231 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1478 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.91 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 91.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 4298 REMARK 3 BIN R VALUE (WORKING SET) : 0.3310 REMARK 3 BIN FREE R VALUE : 0.3680 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.80 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 218 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.025 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2064 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 291 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 21.30 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 28.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.20 REMARK 3 ESD FROM SIGMAA (A) : 0.25 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.23 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.26 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.004 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.40 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.58 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 5.960 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 6.840 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 12.360; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 16.390; 2.500 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER.PAR REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED REMARK 4 REMARK 4 1BB3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 22-JUL-96 REMARK 200 TEMPERATURE (KELVIN) : 287 REMARK 200 PH : 4.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : X-RAY RESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 30141 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.790 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.9 REMARK 200 DATA REDUNDANCY : 4.700 REMARK 200 R MERGE (I) : 0.05600 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 8.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.79 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.82 REMARK 200 COMPLETENESS FOR SHELL (%) : 89.9 REMARK 200 DATA REDUNDANCY IN SHELL : 2.30 REMARK 200 R MERGE FOR SHELL (I) : 0.02600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR 3.851 REMARK 200 STARTING MODEL: PDB ENTRY 1LZ1 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.18 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.68 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 4.5 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 21.83000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 55.10500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 32.95000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 55.10500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 21.83000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 32.95000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 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 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 426 O HOH B 551 1.60 REMARK 500 O HOH A 467 O HOH B 664 1.63 REMARK 500 O HOH B 659 O HOH B 664 1.90 REMARK 500 O HOH A 646 O HOH A 647 1.94 REMARK 500 O HOH B 527 O HOH B 651 1.96 REMARK 500 O HOH A 609 O HOH A 668 2.00 REMARK 500 O HOH B 481 O HOH B 593 2.04 REMARK 500 O HOH B 472 O HOH B 679 2.07 REMARK 500 O HOH A 464 O HOH A 640 2.08 REMARK 500 O HOH A 476 O HOH B 475 2.11 REMARK 500 O HOH A 688 O HOH B 664 2.11 REMARK 500 O HOH A 650 O HOH A 652 2.14 REMARK 500 O HOH A 426 O HOH B 537 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 641 O HOH B 410 3655 1.28 REMARK 500 O HOH A 667 O HOH B 431 4456 1.79 REMARK 500 O HOH A 606 O HOH A 670 4556 1.98 REMARK 500 O HOH A 668 O HOH B 676 4456 2.12 REMARK 500 O HOH A 625 O HOH B 631 4456 2.14 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER B 36 -7.34 -143.92 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 430 DISTANCE = 5.92 ANGSTROMS REMARK 525 HOH A 500 DISTANCE = 5.57 ANGSTROMS REMARK 525 HOH A 596 DISTANCE = 5.65 ANGSTROMS REMARK 525 HOH B 657 DISTANCE = 5.66 ANGSTROMS REMARK 525 HOH A 609 DISTANCE = 5.04 ANGSTROMS REMARK 525 HOH A 653 DISTANCE = 6.22 ANGSTROMS REMARK 525 HOH A 668 DISTANCE = 5.65 ANGSTROMS DBREF 1BB3 A 1 130 UNP P61626 LYSC_HUMAN 19 148 DBREF 1BB3 B 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQADV 1BB3 LEU A 96 UNP P61626 ALA 114 ENGINEERED SEQADV 1BB3 LEU B 96 UNP P61626 ALA 114 ENGINEERED SEQRES 1 A 130 LYS VAL PHE GLU ARG CYS GLU LEU ALA ARG THR LEU LYS SEQRES 2 A 130 ARG LEU GLY MET ASP GLY TYR ARG GLY ILE SER LEU ALA SEQRES 3 A 130 ASN TRP MET CYS LEU ALA LYS TRP GLU SER GLY TYR ASN SEQRES 4 A 130 THR ARG ALA THR ASN TYR ASN ALA GLY ASP ARG SER THR SEQRES 5 A 130 ASP TYR GLY ILE PHE GLN ILE ASN SER ARG TYR TRP CYS SEQRES 6 A 130 ASN ASP GLY LYS THR PRO GLY ALA VAL ASN ALA CYS HIS SEQRES 7 A 130 LEU SER CYS SER ALA LEU LEU GLN ASP ASN ILE ALA ASP SEQRES 8 A 130 ALA VAL ALA CYS LEU LYS ARG VAL VAL ARG ASP PRO GLN SEQRES 9 A 130 GLY ILE ARG ALA TRP VAL ALA TRP ARG ASN ARG CYS GLN SEQRES 10 A 130 ASN ARG ASP VAL ARG GLN TYR VAL GLN GLY CYS GLY VAL SEQRES 1 B 130 LYS VAL PHE GLU ARG CYS GLU LEU ALA ARG THR LEU LYS SEQRES 2 B 130 ARG LEU GLY MET ASP GLY TYR ARG GLY ILE SER LEU ALA SEQRES 3 B 130 ASN TRP MET CYS LEU ALA LYS TRP GLU SER GLY TYR ASN SEQRES 4 B 130 THR ARG ALA THR ASN TYR ASN ALA GLY ASP ARG SER THR SEQRES 5 B 130 ASP TYR GLY ILE PHE GLN ILE ASN SER ARG TYR TRP CYS SEQRES 6 B 130 ASN ASP GLY LYS THR PRO GLY ALA VAL ASN ALA CYS HIS SEQRES 7 B 130 LEU SER CYS SER ALA LEU LEU GLN ASP ASN ILE ALA ASP SEQRES 8 B 130 ALA VAL ALA CYS LEU LYS ARG VAL VAL ARG ASP PRO GLN SEQRES 9 B 130 GLY ILE ARG ALA TRP VAL ALA TRP ARG ASN ARG CYS GLN SEQRES 10 B 130 ASN ARG ASP VAL ARG GLN TYR VAL GLN GLY CYS GLY VAL FORMUL 3 HOH *291(H2 O) HELIX 1 1 ARG A 5 ARG A 14 1 10 HELIX 2 2 TYR A 20 GLY A 22 5 3 HELIX 3 3 LEU A 25 SER A 36 1 12 HELIX 4 4 CYS A 81 LEU A 85 5 5 HELIX 5 5 ALA A 90 ARG A 101 1 12 HELIX 6 6 GLY A 105 ALA A 108 5 4 HELIX 7 7 VAL A 110 ARG A 115 1 6 HELIX 8 8 ARG A 122 VAL A 125 5 4 HELIX 9 9 ARG B 5 ARG B 14 1 10 HELIX 10 10 TYR B 20 GLY B 22 5 3 HELIX 11 11 LEU B 25 SER B 36 1 12 HELIX 12 12 CYS B 81 LEU B 85 5 5 HELIX 13 13 ALA B 90 ARG B 101 1 12 HELIX 14 14 GLY B 105 ALA B 108 5 4 HELIX 15 15 VAL B 110 ARG B 115 1 6 HELIX 16 16 ARG B 122 TYR B 124 5 3 SHEET 1 A 2 THR A 43 ASN A 46 0 SHEET 2 A 2 SER A 51 TYR A 54 -1 N ASP A 53 O ASN A 44 SHEET 1 B 2 THR B 43 ASN B 46 0 SHEET 2 B 2 SER B 51 TYR B 54 -1 N ASP B 53 O ASN B 44 SSBOND 1 CYS A 6 CYS A 128 1555 1555 2.03 SSBOND 2 CYS A 30 CYS A 116 1555 1555 2.02 SSBOND 3 CYS A 65 CYS A 81 1555 1555 2.03 SSBOND 4 CYS A 77 CYS A 95 1555 1555 2.04 SSBOND 5 CYS B 6 CYS B 128 1555 1555 2.03 SSBOND 6 CYS B 30 CYS B 116 1555 1555 2.03 SSBOND 7 CYS B 65 CYS B 81 1555 1555 2.03 SSBOND 8 CYS B 77 CYS B 95 1555 1555 2.03 CRYST1 43.660 65.900 110.210 90.00 90.00 90.00 P 21 21 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.022904 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015175 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009074 0.00000 ATOM 1 N LYS A 1 23.270 27.348 58.229 1.00 21.36 N ATOM 2 CA LYS A 1 24.361 28.355 58.123 1.00 16.05 C ATOM 3 C LYS A 1 23.970 29.510 57.206 1.00 25.84 C ATOM 4 O LYS A 1 23.322 29.307 56.182 1.00 19.61 O ATOM 5 CB LYS A 1 25.631 27.696 57.581 1.00 22.69 C ATOM 6 CG LYS A 1 26.563 28.643 56.845 1.00 22.61 C ATOM 7 CD LYS A 1 27.720 27.903 56.199 1.00 21.88 C ATOM 8 CE LYS A 1 28.778 28.879 55.729 1.00 17.82 C ATOM 9 NZ LYS A 1 30.099 28.233 55.565 1.00 25.03 N ATOM 10 N VAL A 2 24.354 30.723 57.589 1.00 20.24 N ATOM 11 CA VAL A 2 24.079 31.896 56.774 1.00 18.60 C ATOM 12 C VAL A 2 25.407 32.322 56.152 1.00 24.52 C ATOM 13 O VAL A 2 26.313 32.789 56.842 1.00 20.04 O ATOM 14 CB VAL A 2 23.491 33.048 57.611 1.00 17.49 C ATOM 15 CG1 VAL A 2 23.190 34.241 56.715 1.00 17.66 C ATOM 16 CG2 VAL A 2 22.217 32.587 58.298 1.00 15.09 C ATOM 17 N PHE A 3 25.519 32.130 54.842 1.00 17.89 N ATOM 18 CA PHE A 3 26.730 32.470 54.099 1.00 15.34 C ATOM 19 C PHE A 3 26.922 33.982 54.024 1.00 16.45 C ATOM 20 O PHE A 3 25.950 34.740 54.059 1.00 21.32 O ATOM 21 CB PHE A 3 26.627 31.950 52.658 1.00 19.04 C ATOM 22 CG PHE A 3 27.069 30.524 52.471 1.00 16.43 C ATOM 23 CD1 PHE A 3 26.204 29.467 52.765 1.00 17.53 C ATOM 24 CD2 PHE A 3 28.326 30.237 51.939 1.00 16.99 C ATOM 25 CE1 PHE A 3 26.585 28.148 52.527 1.00 20.11 C ATOM 26 CE2 PHE A 3 28.717 28.924 51.697 1.00 18.17 C ATOM 27 CZ PHE A 3 27.844 27.877 51.991 1.00 20.11 C ATOM 28 N GLU A 4 28.175 34.420 53.927 1.00 19.43 N ATOM 29 CA GLU A 4 28.456 35.842 53.753 1.00 21.93 C ATOM 30 C GLU A 4 28.459 35.961 52.223 1.00 19.28 C ATOM 31 O GLU A 4 28.774 34.988 51.530 1.00 19.12 O ATOM 32 CB GLU A 4 29.825 36.224 54.337 1.00 26.68 C ATOM 33 CG GLU A 4 31.018 35.890 53.453 1.00 57.18 C ATOM 34 CD GLU A 4 31.483 37.064 52.609 1.00 16.17 C ATOM 35 OE1 GLU A 4 30.952 38.184 52.777 1.00 35.55 O ATOM 36 OE2 GLU A 4 32.385 36.869 51.771 1.00 49.45 O ATOM 37 N ARG A 5 28.108 37.133 51.701 1.00 24.82 N ATOM 38 CA ARG A 5 28.033 37.353 50.256 1.00 21.10 C ATOM 39 C ARG A 5 29.122 36.720 49.391 1.00 19.87 C ATOM 40 O ARG A 5 28.851 35.795 48.623 1.00 18.84 O ATOM 41 CB ARG A 5 27.971 38.850 49.955 1.00 22.76 C ATOM 42 CG ARG A 5 27.415 39.157 48.579 1.00 23.15 C ATOM 43 CD ARG A 5 27.104 40.634 48.422 1.00 22.63 C ATOM 44 NE ARG A 5 28.243 41.467 48.788 1.00 23.55 N ATOM 45 CZ ARG A 5 29.292 41.686 48.002 1.00 25.50 C ATOM 46 NH1 ARG A 5 29.352 41.136 46.797 1.00 30.44 N ATOM 47 NH2 ARG A 5 30.283 42.459 48.423 1.00 41.77 N ATOM 48 N CYS A 6 30.349 37.214 49.506 1.00 15.48 N ATOM 49 CA CYS A 6 31.448 36.698 48.697 1.00 11.62 C ATOM 50 C CYS A 6 31.816 35.236 48.942 1.00 19.94 C ATOM 51 O CYS A 6 32.305 34.557 48.036 1.00 17.66 O ATOM 52 CB CYS A 6 32.676 37.589 48.870 1.00 14.74 C ATOM 53 SG CYS A 6 32.407 39.266 48.219 1.00 28.03 S ATOM 54 N GLU A 7 31.589 34.751 50.159 1.00 19.89 N ATOM 55 CA GLU A 7 31.890 33.362 50.481 1.00 15.37 C ATOM 56 C GLU A 7 30.994 32.471 49.620 1.00 21.80 C ATOM 57 O GLU A 7 31.448 31.480 49.043 1.00 16.85 O ATOM 58 CB GLU A 7 31.622 33.090 51.965 1.00 15.37 C ATOM 59 CG GLU A 7 31.849 31.649 52.394 1.00 15.90 C ATOM 60 CD GLU A 7 31.256 31.348 53.759 1.00 26.09 C ATOM 61 OE1 GLU A 7 30.442 32.157 54.247 1.00 21.30 O ATOM 62 OE2 GLU A 7 31.599 30.303 54.347 1.00 24.58 O ATOM 63 N LEU A 8 29.719 32.837 49.528 1.00 15.45 N ATOM 64 CA LEU A 8 28.776 32.066 48.731 1.00 13.35 C ATOM 65 C LEU A 8 29.133 32.183 47.257 1.00 20.86 C ATOM 66 O LEU A 8 29.110 31.192 46.524 1.00 19.00 O ATOM 67 CB LEU A 8 27.344 32.555 48.955 1.00 12.21 C ATOM 68 CG LEU A 8 26.272 31.790 48.164 1.00 14.75 C ATOM 69 CD1 LEU A 8 26.277 30.334 48.593 1.00 15.04 C ATOM 70 CD2 LEU A 8 24.900 32.407 48.382 1.00 16.00 C ATOM 71 N ALA A 9 29.469 33.395 46.827 1.00 21.60 N ATOM 72 CA ALA A 9 29.836 33.635 45.434 1.00 14.45 C ATOM 73 C ALA A 9 30.962 32.691 45.012 1.00 21.90 C ATOM 74 O ALA A 9 30.890 32.047 43.962 1.00 18.59 O ATOM 75 CB ALA A 9 30.266 35.090 45.250 1.00 15.18 C ATOM 76 N ARG A 10 31.999 32.600 45.839 1.00 23.20 N ATOM 77 CA ARG A 10 33.136 31.733 45.544 1.00 16.48 C ATOM 78 C ARG A 10 32.743 30.257 45.518 1.00 17.02 C ATOM 79 O ARG A 10 33.235 29.492 44.691 1.00 19.29 O ATOM 80 CB ARG A 10 34.244 31.954 46.575 1.00 19.11 C ATOM 81 CG ARG A 10 35.019 33.244 46.371 1.00 26.30 C ATOM 82 CD ARG A 10 36.321 33.224 47.143 1.00 34.71 C ATOM 83 NE ARG A 10 36.106 33.566 48.541 1.00 48.20 N ATOM 84 CZ ARG A 10 35.701 34.760 48.958 1.00 59.72 C ATOM 85 NH1 ARG A 10 35.471 35.730 48.082 1.00 50.74 N ATOM 86 NH2 ARG A 10 35.530 34.986 50.251 1.00 44.39 N ATOM 87 N THR A 11 31.857 29.864 46.428 1.00 16.72 N ATOM 88 CA THR A 11 31.397 28.481 46.509 1.00 23.52 C ATOM 89 C THR A 11 30.612 28.092 45.255 1.00 18.60 C ATOM 90 O THR A 11 30.834 27.028 44.672 1.00 20.45 O ATOM 91 CB THR A 11 30.507 28.274 47.753 1.00 18.39 C ATOM 92 OG1 THR A 11 31.240 28.648 48.926 1.00 25.61 O ATOM 93 CG2 THR A 11 30.076 26.827 47.876 1.00 18.37 C ATOM 94 N LEU A 12 29.699 28.964 44.842 1.00 19.18 N ATOM 95 CA LEU A 12 28.891 28.711 43.658 1.00 23.51 C ATOM 96 C LEU A 12 29.768 28.648 42.406 1.00 16.91 C ATOM 97 O LEU A 12 29.542 27.824 41.525 1.00 22.60 O ATOM 98 CB LEU A 12 27.821 29.799 43.511 1.00 16.00 C ATOM 99 CG LEU A 12 26.670 29.725 44.524 1.00 14.47 C ATOM 100 CD1 LEU A 12 25.661 30.832 44.244 1.00 16.53 C ATOM 101 CD2 LEU A 12 26.002 28.352 44.454 1.00 13.59 C ATOM 102 N LYS A 13 30.773 29.513 42.328 1.00 15.72 N ATOM 103 CA LYS A 13 31.663 29.512 41.176 1.00 15.23 C ATOM 104 C LYS A 13 32.419 28.188 41.133 1.00 25.73 C ATOM 105 O LYS A 13 32.581 27.583 40.076 1.00 24.22 O ATOM 106 CB LYS A 13 32.659 30.668 41.264 1.00 20.51 C ATOM 107 CG LYS A 13 33.515 30.833 40.018 1.00 27.80 C ATOM 108 CD LYS A 13 34.239 32.170 40.018 1.00 45.93 C ATOM 109 CE LYS A 13 35.220 32.271 38.859 1.00 46.08 C ATOM 110 NZ LYS A 13 34.518 32.388 37.550 1.00 49.92 N ATOM 111 N ARG A 14 32.875 27.744 42.299 1.00 21.59 N ATOM 112 CA ARG A 14 33.614 26.494 42.419 1.00 25.85 C ATOM 113 C ARG A 14 32.752 25.297 42.020 1.00 19.11 C ATOM 114 O ARG A 14 33.263 24.293 41.526 1.00 25.66 O ATOM 115 CB ARG A 14 34.102 26.322 43.859 1.00 26.96 C ATOM 116 CG ARG A 14 35.216 25.306 44.036 1.00 58.48 C ATOM 117 CD ARG A 14 35.232 24.741 45.451 1.00 63.07 C ATOM 118 NE ARG A 14 34.865 25.729 46.465 1.00 79.19 N ATOM 119 CZ ARG A 14 35.552 26.841 46.713 1.00 91.69 C ATOM 120 NH1 ARG A 14 36.651 27.114 46.019 1.00 88.02 N ATOM 121 NH2 ARG A 14 35.148 27.676 47.665 1.00 42.96 N ATOM 122 N LEU A 15 31.445 25.400 42.234 1.00 17.00 N ATOM 123 CA LEU A 15 30.546 24.305 41.891 1.00 20.72 C ATOM 124 C LEU A 15 30.026 24.403 40.454 1.00 20.19 C ATOM 125 O LEU A 15 29.087 23.703 40.078 1.00 24.37 O ATOM 126 CB LEU A 15 29.380 24.247 42.883 1.00 16.19 C ATOM 127 CG LEU A 15 29.771 23.939 44.335 1.00 24.20 C ATOM 128 CD1 LEU A 15 28.570 24.148 45.250 1.00 27.68 C ATOM 129 CD2 LEU A 15 30.278 22.511 44.444 1.00 18.62 C ATOM 130 N GLY A 16 30.639 25.278 39.662 1.00 17.86 N ATOM 131 CA GLY A 16 30.258 25.434 38.267 1.00 16.38 C ATOM 132 C GLY A 16 28.937 26.112 37.953 1.00 27.87 C ATOM 133 O GLY A 16 28.291 25.771 36.964 1.00 23.65 O ATOM 134 N MET A 17 28.532 27.079 38.770 1.00 16.56 N ATOM 135 CA MET A 17 27.269 27.769 38.530 1.00 16.30 C ATOM 136 C MET A 17 27.417 29.025 37.668 1.00 19.56 C ATOM 137 O MET A 17 26.434 29.515 37.116 1.00 21.19 O ATOM 138 CB MET A 17 26.600 28.139 39.860 1.00 18.76 C ATOM 139 CG MET A 17 25.970 26.964 40.606 1.00 25.54 C ATOM 140 SD MET A 17 24.863 25.928 39.604 1.00 28.58 S ATOM 141 CE MET A 17 23.469 27.021 39.401 1.00 22.44 C ATOM 142 N ASP A 18 28.634 29.546 37.547 1.00 15.57 N ATOM 143 CA ASP A 18 28.841 30.746 36.747 1.00 16.90 C ATOM 144 C ASP A 18 28.644 30.466 35.264 1.00 21.62 C ATOM 145 O ASP A 18 29.513 29.892 34.608 1.00 25.73 O ATOM 146 CB ASP A 18 30.240 31.320 36.977 1.00 16.58 C ATOM 147 CG ASP A 18 30.415 32.682 36.336 1.00 28.63 C ATOM 148 OD1 ASP A 18 29.394 33.296 35.957 1.00 24.67 O ATOM 149 OD2 ASP A 18 31.570 33.139 36.206 1.00 40.31 O ATOM 150 N GLY A 19 27.495 30.881 34.743 1.00 21.58 N ATOM 151 CA GLY A 19 27.194 30.671 33.341 1.00 17.96 C ATOM 152 C GLY A 19 26.392 29.410 33.096 1.00 23.85 C ATOM 153 O GLY A 19 26.074 29.089 31.951 1.00 24.90 O ATOM 154 N TYR A 20 26.056 28.691 34.163 1.00 21.13 N ATOM 155 CA TYR A 20 25.290 27.465 34.006 1.00 18.86 C ATOM 156 C TYR A 20 24.006 27.746 33.237 1.00 26.76 C ATOM 157 O TYR A 20 23.145 28.510 33.684 1.00 21.67 O ATOM 158 CB TYR A 20 24.958 26.832 35.363 1.00 15.87 C ATOM 159 CG TYR A 20 24.378 25.441 35.224 1.00 17.35 C ATOM 160 CD1 TYR A 20 25.201 24.346 34.948 1.00 20.57 C ATOM 161 CD2 TYR A 20 23.002 25.225 35.310 1.00 18.24 C ATOM 162 CE1 TYR A 20 24.668 23.073 34.755 1.00 17.38 C ATOM 163 CE2 TYR A 20 22.458 23.954 35.119 1.00 20.46 C ATOM 164 CZ TYR A 20 23.298 22.887 34.839 1.00 19.85 C ATOM 165 OH TYR A 20 22.767 21.635 34.637 1.00 35.34 O ATOM 166 N ARG A 21 23.891 27.118 32.072 1.00 27.84 N ATOM 167 CA ARG A 21 22.735 27.290 31.207 1.00 17.76 C ATOM 168 C ARG A 21 22.561 28.759 30.849 1.00 13.64 C ATOM 169 O ARG A 21 21.441 29.255 30.731 1.00 24.90 O ATOM 170 CB ARG A 21 21.472 26.746 31.880 1.00 37.60 C ATOM 171 CG ARG A 21 21.239 25.264 31.603 1.00 36.19 C ATOM 172 CD ARG A 21 19.868 24.817 32.070 1.00 59.14 C ATOM 173 NE ARG A 21 18.965 24.537 30.956 1.00 83.22 N ATOM 174 CZ ARG A 21 19.167 23.594 30.041 1.00 64.82 C ATOM 175 NH1 ARG A 21 20.250 22.830 30.093 1.00 52.85 N ATOM 176 NH2 ARG A 21 18.284 23.417 29.068 1.00 65.57 N ATOM 177 N GLY A 22 23.687 29.445 30.687 1.00 16.54 N ATOM 178 CA GLY A 22 23.668 30.846 30.317 1.00 21.88 C ATOM 179 C GLY A 22 23.372 31.850 31.413 1.00 24.06 C ATOM 180 O GLY A 22 23.342 33.048 31.142 1.00 25.30 O ATOM 181 N ILE A 23 23.153 31.384 32.641 1.00 23.89 N ATOM 182 CA ILE A 23 22.856 32.291 33.752 1.00 22.58 C ATOM 183 C ILE A 23 24.109 32.657 34.549 1.00 11.46 C ATOM 184 O ILE A 23 24.816 31.795 35.064 1.00 17.49 O ATOM 185 CB ILE A 23 21.798 31.684 34.706 1.00 30.40 C ATOM 186 CG1 ILE A 23 20.469 31.518 33.964 1.00 26.40 C ATOM 187 CG2 ILE A 23 21.584 32.593 35.913 1.00 20.72 C ATOM 188 CD1 ILE A 23 19.615 30.397 34.509 1.00 50.46 C ATOM 189 N SER A 24 24.372 33.954 34.642 1.00 18.55 N ATOM 190 CA SER A 24 25.535 34.465 35.350 1.00 25.29 C ATOM 191 C SER A 24 25.493 34.189 36.850 1.00 19.22 C ATOM 192 O SER A 24 24.428 33.976 37.435 1.00 15.01 O ATOM 193 CB SER A 24 25.661 35.975 35.122 1.00 15.53 C ATOM 194 OG SER A 24 24.610 36.668 35.771 1.00 17.08 O ATOM 195 N LEU A 25 26.674 34.205 37.461 1.00 18.60 N ATOM 196 CA LEU A 25 26.819 33.981 38.892 1.00 24.93 C ATOM 197 C LEU A 25 26.034 35.027 39.685 1.00 19.24 C ATOM 198 O LEU A 25 25.412 34.705 40.691 1.00 15.35 O ATOM 199 CB LEU A 25 28.300 34.044 39.273 1.00 20.63 C ATOM 200 CG LEU A 25 28.656 33.802 40.738 1.00 19.20 C ATOM 201 CD1 LEU A 25 28.244 32.393 41.136 1.00 18.61 C ATOM 202 CD2 LEU A 25 30.150 34.004 40.935 1.00 21.62 C ATOM 203 N ALA A 26 26.057 36.275 39.223 1.00 15.69 N ATOM 204 CA ALA A 26 25.343 37.352 39.904 1.00 16.28 C ATOM 205 C ALA A 26 23.842 37.082 39.968 1.00 16.15 C ATOM 206 O ALA A 26 23.167 37.483 40.918 1.00 16.50 O ATOM 207 CB ALA A 26 25.605 38.681 39.206 1.00 15.01 C ATOM 208 N ASN A 27 23.316 36.402 38.956 1.00 15.22 N ATOM 209 CA ASN A 27 21.894 36.087 38.933 1.00 14.42 C ATOM 210 C ASN A 27 21.558 34.981 39.936 1.00 14.40 C ATOM 211 O ASN A 27 20.482 34.977 40.536 1.00 16.23 O ATOM 212 CB ASN A 27 21.471 35.672 37.525 1.00 17.51 C ATOM 213 CG ASN A 27 21.042 36.855 36.681 1.00 30.70 C ATOM 214 OD1 ASN A 27 21.690 37.193 35.693 1.00 34.50 O ATOM 215 ND2 ASN A 27 19.946 37.497 37.073 1.00 23.96 N ATOM 216 N TRP A 28 22.481 34.040 40.110 1.00 12.38 N ATOM 217 CA TRP A 28 22.272 32.957 41.060 1.00 15.49 C ATOM 218 C TRP A 28 22.345 33.563 42.456 1.00 14.89 C ATOM 219 O TRP A 28 21.585 33.186 43.343 1.00 16.31 O ATOM 220 CB TRP A 28 23.347 31.880 40.897 1.00 12.95 C ATOM 221 CG TRP A 28 23.204 31.096 39.631 1.00 21.59 C ATOM 222 CD1 TRP A 28 24.114 31.004 38.614 1.00 21.33 C ATOM 223 CD2 TRP A 28 22.064 30.328 39.221 1.00 22.27 C ATOM 224 NE1 TRP A 28 23.608 30.227 37.595 1.00 19.39 N ATOM 225 CE2 TRP A 28 22.353 29.801 37.941 1.00 34.10 C ATOM 226 CE3 TRP A 28 20.824 30.035 39.811 1.00 19.75 C ATOM 227 CZ2 TRP A 28 21.447 28.997 37.240 1.00 32.10 C ATOM 228 CZ3 TRP A 28 19.924 29.235 39.114 1.00 24.22 C ATOM 229 CH2 TRP A 28 20.242 28.726 37.840 1.00 28.31 C ATOM 230 N MET A 29 23.260 34.512 42.634 1.00 14.53 N ATOM 231 CA MET A 29 23.434 35.192 43.915 1.00 12.36 C ATOM 232 C MET A 29 22.178 35.980 44.254 1.00 22.63 C ATOM 233 O MET A 29 21.706 35.964 45.392 1.00 15.22 O ATOM 234 CB MET A 29 24.629 36.149 43.855 1.00 15.11 C ATOM 235 CG MET A 29 25.982 35.459 43.891 1.00 23.92 C ATOM 236 SD MET A 29 26.282 34.674 45.482 1.00 21.66 S ATOM 237 CE MET A 29 26.284 36.125 46.573 1.00 15.25 C ATOM 238 N CYS A 30 21.641 36.677 43.258 1.00 15.98 N ATOM 239 CA CYS A 30 20.438 37.462 43.458 1.00 19.23 C ATOM 240 C CYS A 30 19.285 36.553 43.884 1.00 19.25 C ATOM 241 O CYS A 30 18.462 36.931 44.721 1.00 16.23 O ATOM 242 CB CYS A 30 20.076 38.217 42.174 1.00 11.82 C ATOM 243 SG CYS A 30 18.768 39.458 42.414 1.00 15.78 S ATOM 244 N LEU A 31 19.232 35.353 43.310 1.00 15.75 N ATOM 245 CA LEU A 31 18.186 34.390 43.645 1.00 14.54 C ATOM 246 C LEU A 31 18.305 33.962 45.115 1.00 15.21 C ATOM 247 O LEU A 31 17.327 33.991 45.861 1.00 15.11 O ATOM 248 CB LEU A 31 18.297 33.155 42.744 1.00 12.13 C ATOM 249 CG LEU A 31 17.389 31.959 43.060 1.00 11.98 C ATOM 250 CD1 LEU A 31 15.964 32.265 42.645 1.00 16.05 C ATOM 251 CD2 LEU A 31 17.887 30.726 42.330 1.00 20.57 C ATOM 252 N ALA A 32 19.509 33.568 45.519 1.00 15.18 N ATOM 253 CA ALA A 32 19.756 33.123 46.887 1.00 19.51 C ATOM 254 C ALA A 32 19.417 34.209 47.898 1.00 19.74 C ATOM 255 O ALA A 32 18.835 33.932 48.946 1.00 19.23 O ATOM 256 CB ALA A 32 21.211 32.705 47.045 1.00 12.91 C ATOM 257 N LYS A 33 19.773 35.447 47.570 1.00 16.73 N ATOM 258 CA LYS A 33 19.529 36.582 48.452 1.00 14.93 C ATOM 259 C LYS A 33 18.051 36.821 48.738 1.00 22.52 C ATOM 260 O LYS A 33 17.644 36.916 49.895 1.00 18.25 O ATOM 261 CB LYS A 33 20.147 37.851 47.856 1.00 13.20 C ATOM 262 CG LYS A 33 20.223 39.007 48.833 1.00 22.24 C ATOM 263 CD LYS A 33 19.061 39.968 48.632 1.00 35.33 C ATOM 264 CE LYS A 33 18.925 40.937 49.801 1.00 57.61 C ATOM 265 NZ LYS A 33 20.016 40.775 50.799 1.00 57.38 N ATOM 266 N TRP A 34 17.245 36.909 47.687 1.00 14.71 N ATOM 267 CA TRP A 34 15.822 37.156 47.860 1.00 14.53 C ATOM 268 C TRP A 34 14.997 35.934 48.240 1.00 16.78 C ATOM 269 O TRP A 34 13.864 36.069 48.690 1.00 19.86 O ATOM 270 CB TRP A 34 15.254 37.802 46.596 1.00 13.81 C ATOM 271 CG TRP A 34 15.802 39.171 46.403 1.00 19.19 C ATOM 272 CD1 TRP A 34 16.784 39.547 45.533 1.00 19.12 C ATOM 273 CD2 TRP A 34 15.469 40.336 47.163 1.00 26.90 C ATOM 274 NE1 TRP A 34 17.088 40.875 45.710 1.00 23.84 N ATOM 275 CE2 TRP A 34 16.296 41.384 46.706 1.00 26.97 C ATOM 276 CE3 TRP A 34 14.553 40.596 48.194 1.00 20.76 C ATOM 277 CZ2 TRP A 34 16.234 42.674 47.239 1.00 34.98 C ATOM 278 CZ3 TRP A 34 14.493 41.880 48.726 1.00 42.74 C ATOM 279 CH2 TRP A 34 15.329 42.902 48.247 1.00 52.43 C ATOM 280 N GLU A 35 15.561 34.743 48.072 1.00 14.56 N ATOM 281 CA GLU A 35 14.834 33.526 48.409 1.00 17.87 C ATOM 282 C GLU A 35 15.024 33.131 49.865 1.00 15.05 C ATOM 283 O GLU A 35 14.074 32.741 50.543 1.00 17.86 O ATOM 284 CB GLU A 35 15.299 32.359 47.530 1.00 16.03 C ATOM 285 CG GLU A 35 14.669 32.314 46.145 1.00 16.69 C ATOM 286 CD GLU A 35 13.156 32.392 46.182 1.00 25.38 C ATOM 287 OE1 GLU A 35 12.540 31.718 47.035 1.00 19.03 O ATOM 288 OE2 GLU A 35 12.582 33.128 45.354 1.00 25.43 O ATOM 289 N SER A 36 16.253 33.248 50.349 1.00 14.44 N ATOM 290 CA SER A 36 16.550 32.819 51.708 1.00 14.42 C ATOM 291 C SER A 36 17.479 33.715 52.502 1.00 17.78 C ATOM 292 O SER A 36 17.734 33.442 53.671 1.00 19.29 O ATOM 293 CB SER A 36 17.185 31.435 51.652 1.00 13.98 C ATOM 294 OG SER A 36 18.492 31.549 51.112 1.00 13.38 O ATOM 295 N GLY A 37 17.999 34.765 51.882 1.00 15.72 N ATOM 296 CA GLY A 37 18.926 35.628 52.588 1.00 13.13 C ATOM 297 C GLY A 37 20.222 34.880 52.866 1.00 18.49 C ATOM 298 O GLY A 37 20.871 35.115 53.886 1.00 18.22 O ATOM 299 N TYR A 38 20.583 33.972 51.956 1.00 13.10 N ATOM 300 CA TYR A 38 21.793 33.150 52.045 1.00 10.75 C ATOM 301 C TYR A 38 21.792 32.175 53.230 1.00 12.69 C ATOM 302 O TYR A 38 22.856 31.772 53.711 1.00 17.00 O ATOM 303 CB TYR A 38 23.044 34.028 52.143 1.00 19.10 C ATOM 304 CG TYR A 38 23.174 35.113 51.095 1.00 22.04 C ATOM 305 CD1 TYR A 38 22.802 34.891 49.765 1.00 19.87 C ATOM 306 CD2 TYR A 38 23.704 36.359 51.431 1.00 16.75 C ATOM 307 CE1 TYR A 38 22.960 35.894 48.798 1.00 15.95 C ATOM 308 CE2 TYR A 38 23.865 37.360 50.477 1.00 34.27 C ATOM 309 CZ TYR A 38 23.495 37.124 49.165 1.00 27.67 C ATOM 310 OH TYR A 38 23.670 38.123 48.233 1.00 21.95 O ATOM 311 N ASN A 39 20.603 31.791 53.683 1.00 14.57 N ATOM 312 CA ASN A 39 20.458 30.893 54.825 1.00 16.42 C ATOM 313 C ASN A 39 20.100 29.467 54.393 1.00 10.24 C ATOM 314 O ASN A 39 19.019 29.224 53.848 1.00 14.29 O ATOM 315 CB ASN A 39 19.383 31.461 55.759 1.00 18.39 C ATOM 316 CG ASN A 39 19.190 30.641 57.011 1.00 19.79 C ATOM 317 OD1 ASN A 39 19.942 29.707 57.287 1.00 16.03 O ATOM 318 ND2 ASN A 39 18.169 30.991 57.785 1.00 23.66 N ATOM 319 N THR A 40 21.013 28.528 54.641 1.00 10.90 N ATOM 320 CA THR A 40 20.804 27.130 54.264 1.00 15.64 C ATOM 321 C THR A 40 19.718 26.421 55.070 1.00 21.12 C ATOM 322 O THR A 40 19.230 25.373 54.662 1.00 15.77 O ATOM 323 CB THR A 40 22.108 26.300 54.393 1.00 16.91 C ATOM 324 OG1 THR A 40 22.500 26.230 55.773 1.00 18.45 O ATOM 325 CG2 THR A 40 23.236 26.926 53.577 1.00 13.56 C ATOM 326 N ARG A 41 19.335 26.990 56.209 1.00 17.07 N ATOM 327 CA ARG A 41 18.310 26.379 57.046 1.00 15.85 C ATOM 328 C ARG A 41 16.911 26.937 56.821 1.00 18.00 C ATOM 329 O ARG A 41 15.951 26.509 57.464 1.00 19.08 O ATOM 330 CB ARG A 41 18.687 26.526 58.526 1.00 18.56 C ATOM 331 CG ARG A 41 20.008 25.872 58.888 1.00 24.39 C ATOM 332 CD ARG A 41 19.868 24.950 60.086 1.00 46.37 C ATOM 333 NE ARG A 41 21.152 24.375 60.477 1.00 92.17 N ATOM 334 CZ ARG A 41 22.001 24.943 61.328 1.00 99.72 C ATOM 335 NH1 ARG A 41 21.709 26.111 61.887 1.00 89.72 N ATOM 336 NH2 ARG A 41 23.146 24.342 61.621 1.00 96.12 N ATOM 337 N ALA A 42 16.783 27.889 55.904 1.00 13.85 N ATOM 338 CA ALA A 42 15.483 28.488 55.640 1.00 15.34 C ATOM 339 C ALA A 42 14.464 27.491 55.092 1.00 16.51 C ATOM 340 O ALA A 42 14.780 26.668 54.234 1.00 16.98 O ATOM 341 CB ALA A 42 15.642 29.657 54.669 1.00 11.47 C ATOM 342 N THR A 43 13.246 27.547 55.624 1.00 13.59 N ATOM 343 CA THR A 43 12.157 26.694 55.150 1.00 15.40 C ATOM 344 C THR A 43 10.894 27.534 55.144 1.00 22.61 C ATOM 345 O THR A 43 10.676 28.348 56.043 1.00 20.21 O ATOM 346 CB THR A 43 11.912 25.444 56.037 1.00 25.85 C ATOM 347 OG1 THR A 43 11.336 25.843 57.286 1.00 23.03 O ATOM 348 CG2 THR A 43 13.207 24.677 56.269 1.00 13.11 C ATOM 349 N ASN A 44 10.068 27.344 54.126 1.00 17.03 N ATOM 350 CA ASN A 44 8.830 28.092 54.027 1.00 13.21 C ATOM 351 C ASN A 44 7.681 27.151 53.726 1.00 13.65 C ATOM 352 O ASN A 44 7.620 26.546 52.657 1.00 19.43 O ATOM 353 CB ASN A 44 8.934 29.155 52.930 1.00 15.35 C ATOM 354 CG ASN A 44 7.618 29.879 52.694 1.00 38.04 C ATOM 355 OD1 ASN A 44 7.054 30.479 53.608 1.00 29.65 O ATOM 356 ND2 ASN A 44 7.125 29.828 51.461 1.00 48.47 N ATOM 357 N TYR A 45 6.772 27.030 54.685 1.00 13.69 N ATOM 358 CA TYR A 45 5.611 26.171 54.542 1.00 10.75 C ATOM 359 C TYR A 45 4.465 26.947 53.908 1.00 19.86 C ATOM 360 O TYR A 45 4.109 28.034 54.361 1.00 18.26 O ATOM 361 CB TYR A 45 5.180 25.634 55.909 1.00 14.50 C ATOM 362 CG TYR A 45 3.868 24.882 55.890 1.00 15.89 C ATOM 363 CD1 TYR A 45 3.717 23.725 55.126 1.00 17.76 C ATOM 364 CD2 TYR A 45 2.774 25.327 56.634 1.00 20.72 C ATOM 365 CE1 TYR A 45 2.513 23.032 55.101 1.00 19.80 C ATOM 366 CE2 TYR A 45 1.563 24.638 56.616 1.00 23.41 C ATOM 367 CZ TYR A 45 1.441 23.495 55.850 1.00 28.83 C ATOM 368 OH TYR A 45 0.251 22.809 55.839 1.00 27.07 O ATOM 369 N ASN A 46 3.891 26.372 52.856 1.00 17.97 N ATOM 370 CA ASN A 46 2.777 26.979 52.141 1.00 19.51 C ATOM 371 C ASN A 46 1.514 26.194 52.474 1.00 16.64 C ATOM 372 O ASN A 46 1.296 25.103 51.954 1.00 23.84 O ATOM 373 CB ASN A 46 3.050 26.943 50.634 1.00 35.63 C ATOM 374 CG ASN A 46 4.401 27.547 50.275 1.00 56.48 C ATOM 375 OD1 ASN A 46 4.594 28.762 50.375 1.00 51.69 O ATOM 376 ND2 ASN A 46 5.345 26.702 49.860 1.00 26.57 N ATOM 377 N ALA A 47 0.687 26.761 53.346 1.00 21.01 N ATOM 378 CA ALA A 47 -0.543 26.113 53.787 1.00 24.20 C ATOM 379 C ALA A 47 -1.525 25.843 52.657 1.00 17.93 C ATOM 380 O ALA A 47 -2.370 24.954 52.758 1.00 28.99 O ATOM 381 CB ALA A 47 -1.210 26.957 54.862 1.00 27.57 C ATOM 382 N GLY A 48 -1.402 26.606 51.577 1.00 36.28 N ATOM 383 CA GLY A 48 -2.289 26.434 50.442 1.00 27.62 C ATOM 384 C GLY A 48 -2.212 25.060 49.813 1.00 39.32 C ATOM 385 O GLY A 48 -3.224 24.365 49.705 1.00 48.01 O ATOM 386 N ASP A 49 -1.016 24.659 49.397 1.00 26.25 N ATOM 387 CA ASP A 49 -0.840 23.356 48.772 1.00 25.42 C ATOM 388 C ASP A 49 -0.133 22.366 49.688 1.00 29.98 C ATOM 389 O ASP A 49 0.173 21.243 49.288 1.00 37.81 O ATOM 390 CB ASP A 49 -0.064 23.503 47.462 1.00 31.60 C ATOM 391 CG ASP A 49 1.376 23.905 47.678 1.00 33.86 C ATOM 392 OD1 ASP A 49 1.724 24.315 48.805 1.00 37.23 O ATOM 393 OD2 ASP A 49 2.161 23.809 46.713 1.00 51.34 O ATOM 394 N ARG A 50 0.123 22.790 50.921 1.00 21.57 N ATOM 395 CA ARG A 50 0.776 21.946 51.917 1.00 29.60 C ATOM 396 C ARG A 50 2.206 21.550 51.557 1.00 27.16 C ATOM 397 O ARG A 50 2.718 20.538 52.034 1.00 32.71 O ATOM 398 CB ARG A 50 -0.057 20.688 52.159 1.00 31.90 C ATOM 399 CG ARG A 50 -1.553 20.938 52.179 1.00 40.01 C ATOM 400 CD ARG A 50 -2.311 19.660 52.478 1.00 62.71 C ATOM 401 NE ARG A 50 -2.139 19.252 53.867 1.00 62.70 N ATOM 402 CZ ARG A 50 -2.634 19.921 54.905 1.00 91.39 C ATOM 403 NH1 ARG A 50 -3.335 21.031 54.711 1.00 84.16 N ATOM 404 NH2 ARG A 50 -2.431 19.479 56.138 1.00 65.41 N ATOM 405 N SER A 51 2.852 22.351 50.721 1.00 17.33 N ATOM 406 CA SER A 51 4.225 22.073 50.326 1.00 17.27 C ATOM 407 C SER A 51 5.151 23.023 51.074 1.00 22.04 C ATOM 408 O SER A 51 4.709 24.050 51.594 1.00 18.19 O ATOM 409 CB SER A 51 4.399 22.270 48.819 1.00 12.24 C ATOM 410 OG SER A 51 4.374 23.646 48.488 1.00 16.20 O ATOM 411 N THR A 52 6.435 22.678 51.116 1.00 13.87 N ATOM 412 CA THR A 52 7.430 23.494 51.804 1.00 14.75 C ATOM 413 C THR A 52 8.640 23.768 50.911 1.00 14.84 C ATOM 414 O THR A 52 9.080 22.890 50.168 1.00 12.76 O ATOM 415 CB THR A 52 7.920 22.780 53.085 1.00 15.52 C ATOM 416 OG1 THR A 52 6.817 22.595 53.977 1.00 16.11 O ATOM 417 CG2 THR A 52 9.002 23.592 53.783 1.00 11.79 C ATOM 418 N ASP A 53 9.171 24.988 50.986 1.00 13.90 N ATOM 419 CA ASP A 53 10.357 25.368 50.217 1.00 15.28 C ATOM 420 C ASP A 53 11.548 25.213 51.154 1.00 15.72 C ATOM 421 O ASP A 53 11.541 25.740 52.270 1.00 17.04 O ATOM 422 CB ASP A 53 10.246 26.814 49.733 1.00 12.41 C ATOM 423 CG ASP A 53 9.047 27.029 48.835 1.00 17.40 C ATOM 424 OD1 ASP A 53 8.828 26.204 47.926 1.00 18.59 O ATOM 425 OD2 ASP A 53 8.318 28.017 49.042 1.00 28.97 O ATOM 426 N TYR A 54 12.571 24.497 50.693 1.00 12.24 N ATOM 427 CA TYR A 54 13.745 24.223 51.510 1.00 13.94 C ATOM 428 C TYR A 54 15.081 24.813 51.095 1.00 18.66 C ATOM 429 O TYR A 54 15.421 24.866 49.920 1.00 15.10 O ATOM 430 CB TYR A 54 13.955 22.713 51.618 1.00 11.44 C ATOM 431 CG TYR A 54 12.867 21.966 52.339 1.00 19.30 C ATOM 432 CD1 TYR A 54 11.720 21.548 51.669 1.00 12.21 C ATOM 433 CD2 TYR A 54 12.993 21.652 53.692 1.00 23.65 C ATOM 434 CE1 TYR A 54 10.718 20.830 52.330 1.00 12.49 C ATOM 435 CE2 TYR A 54 12.002 20.938 54.361 1.00 16.61 C ATOM 436 CZ TYR A 54 10.869 20.530 53.676 1.00 11.58 C ATOM 437 OH TYR A 54 9.887 19.829 54.333 1.00 14.54 O ATOM 438 N GLY A 55 15.845 25.223 52.101 1.00 18.17 N ATOM 439 CA GLY A 55 17.186 25.722 51.887 1.00 12.11 C ATOM 440 C GLY A 55 17.462 27.074 51.279 1.00 14.27 C ATOM 441 O GLY A 55 16.574 27.903 51.073 1.00 13.87 O ATOM 442 N ILE A 56 18.742 27.267 50.985 1.00 15.05 N ATOM 443 CA ILE A 56 19.261 28.500 50.424 1.00 10.96 C ATOM 444 C ILE A 56 18.596 28.928 49.107 1.00 17.65 C ATOM 445 O ILE A 56 18.482 30.125 48.830 1.00 14.08 O ATOM 446 CB ILE A 56 20.798 28.380 50.265 1.00 12.23 C ATOM 447 CG1 ILE A 56 21.417 29.766 50.094 1.00 15.47 C ATOM 448 CG2 ILE A 56 21.141 27.425 49.131 1.00 12.59 C ATOM 449 CD1 ILE A 56 22.867 29.834 50.537 1.00 15.30 C ATOM 450 N PHE A 57 18.134 27.960 48.314 1.00 13.82 N ATOM 451 CA PHE A 57 17.481 28.271 47.043 1.00 12.11 C ATOM 452 C PHE A 57 15.977 28.076 47.113 1.00 18.84 C ATOM 453 O PHE A 57 15.275 28.254 46.119 1.00 18.36 O ATOM 454 CB PHE A 57 18.049 27.408 45.914 1.00 13.93 C ATOM 455 CG PHE A 57 19.528 27.524 45.761 1.00 12.29 C ATOM 456 CD1 PHE A 57 20.107 28.738 45.405 1.00 15.84 C ATOM 457 CD2 PHE A 57 20.351 26.425 45.992 1.00 17.96 C ATOM 458 CE1 PHE A 57 21.490 28.860 45.283 1.00 20.43 C ATOM 459 CE2 PHE A 57 21.737 26.533 45.874 1.00 24.43 C ATOM 460 CZ PHE A 57 22.308 27.755 45.518 1.00 20.13 C ATOM 461 N GLN A 58 15.487 27.694 48.286 1.00 10.29 N ATOM 462 CA GLN A 58 14.059 27.494 48.478 1.00 6.80 C ATOM 463 C GLN A 58 13.444 26.572 47.428 1.00 15.10 C ATOM 464 O GLN A 58 12.556 26.974 46.673 1.00 15.18 O ATOM 465 CB GLN A 58 13.349 28.848 48.471 1.00 11.01 C ATOM 466 CG GLN A 58 13.647 29.682 49.709 1.00 13.01 C ATOM 467 CD GLN A 58 13.056 29.063 50.961 1.00 14.49 C ATOM 468 OE1 GLN A 58 11.903 29.319 51.301 1.00 13.76 O ATOM 469 NE2 GLN A 58 13.841 28.234 51.647 1.00 14.54 N ATOM 470 N ILE A 59 13.924 25.332 47.392 1.00 15.61 N ATOM 471 CA ILE A 59 13.438 24.324 46.453 1.00 22.15 C ATOM 472 C ILE A 59 12.196 23.641 47.040 1.00 20.32 C ATOM 473 O ILE A 59 12.202 23.205 48.193 1.00 14.99 O ATOM 474 CB ILE A 59 14.566 23.306 46.148 1.00 13.13 C ATOM 475 CG1 ILE A 59 15.637 24.000 45.297 1.00 15.72 C ATOM 476 CG2 ILE A 59 14.012 22.084 45.433 1.00 15.63 C ATOM 477 CD1 ILE A 59 16.913 23.217 45.127 1.00 23.72 C ATOM 478 N ASN A 60 11.141 23.558 46.231 1.00 10.89 N ATOM 479 CA ASN A 60 9.848 23.004 46.642 1.00 13.56 C ATOM 480 C ASN A 60 9.705 21.485 46.774 1.00 22.08 C ATOM 481 O ASN A 60 10.122 20.720 45.904 1.00 16.31 O ATOM 482 CB ASN A 60 8.763 23.542 45.702 1.00 15.86 C ATOM 483 CG ASN A 60 7.366 23.375 46.264 1.00 18.41 C ATOM 484 OD1 ASN A 60 6.633 22.465 45.872 1.00 24.22 O ATOM 485 ND2 ASN A 60 6.986 24.258 47.187 1.00 19.76 N ATOM 486 N SER A 61 9.068 21.070 47.868 1.00 13.32 N ATOM 487 CA SER A 61 8.849 19.659 48.185 1.00 12.73 C ATOM 488 C SER A 61 7.767 18.968 47.360 1.00 20.17 C ATOM 489 O SER A 61 7.588 17.753 47.456 1.00 17.10 O ATOM 490 CB SER A 61 8.497 19.512 49.667 1.00 14.13 C ATOM 491 OG SER A 61 7.235 20.096 49.936 1.00 12.41 O ATOM 492 N ARG A 62 7.027 19.728 46.561 1.00 19.11 N ATOM 493 CA ARG A 62 5.991 19.107 45.754 1.00 14.71 C ATOM 494 C ARG A 62 6.562 18.527 44.457 1.00 13.19 C ATOM 495 O ARG A 62 6.100 17.493 43.973 1.00 23.83 O ATOM 496 CB ARG A 62 4.884 20.115 45.433 1.00 17.07 C ATOM 497 CG ARG A 62 4.028 19.705 44.252 1.00 25.44 C ATOM 498 CD ARG A 62 2.569 20.028 44.468 1.00 28.83 C ATOM 499 NE ARG A 62 1.766 19.635 43.313 1.00 87.80 N ATOM 500 CZ ARG A 62 0.599 20.184 42.987 1.00 89.04 C ATOM 501 NH1 ARG A 62 0.086 21.156 43.733 1.00 94.46 N ATOM 502 NH2 ARG A 62 -0.058 19.761 41.913 1.00 71.00 N ATOM 503 N TYR A 63 7.587 19.170 43.912 1.00 16.25 N ATOM 504 CA TYR A 63 8.159 18.705 42.653 1.00 20.92 C ATOM 505 C TYR A 63 9.585 18.174 42.667 1.00 20.55 C ATOM 506 O TYR A 63 9.919 17.270 41.895 1.00 15.93 O ATOM 507 CB TYR A 63 8.095 19.833 41.621 1.00 20.89 C ATOM 508 CG TYR A 63 6.729 20.459 41.470 1.00 42.12 C ATOM 509 CD1 TYR A 63 5.745 19.849 40.691 1.00 37.39 C ATOM 510 CD2 TYR A 63 6.414 21.661 42.108 1.00 43.39 C ATOM 511 CE1 TYR A 63 4.479 20.419 40.548 1.00 37.12 C ATOM 512 CE2 TYR A 63 5.149 22.242 41.973 1.00 36.93 C ATOM 513 CZ TYR A 63 4.187 21.613 41.191 1.00 35.59 C ATOM 514 OH TYR A 63 2.933 22.169 41.057 1.00 57.78 O ATOM 515 N TRP A 64 10.419 18.710 43.554 1.00 17.34 N ATOM 516 CA TRP A 64 11.831 18.348 43.563 1.00 12.14 C ATOM 517 C TRP A 64 12.423 17.444 44.629 1.00 15.62 C ATOM 518 O TRP A 64 13.233 16.575 44.316 1.00 17.71 O ATOM 519 CB TRP A 64 12.637 19.641 43.479 1.00 10.84 C ATOM 520 CG TRP A 64 12.096 20.542 42.408 1.00 19.49 C ATOM 521 CD1 TRP A 64 11.367 21.684 42.580 1.00 12.62 C ATOM 522 CD2 TRP A 64 12.200 20.341 40.991 1.00 20.40 C ATOM 523 NE1 TRP A 64 11.008 22.206 41.356 1.00 18.03 N ATOM 524 CE2 TRP A 64 11.507 21.401 40.363 1.00 20.88 C ATOM 525 CE3 TRP A 64 12.812 19.363 40.189 1.00 13.09 C ATOM 526 CZ2 TRP A 64 11.407 21.516 38.970 1.00 15.73 C ATOM 527 CZ3 TRP A 64 12.713 19.476 38.800 1.00 25.63 C ATOM 528 CH2 TRP A 64 12.015 20.547 38.208 1.00 17.61 C ATOM 529 N CYS A 65 12.065 17.654 45.886 1.00 18.06 N ATOM 530 CA CYS A 65 12.607 16.805 46.937 1.00 13.98 C ATOM 531 C CYS A 65 11.483 16.171 47.740 1.00 13.84 C ATOM 532 O CYS A 65 10.340 16.630 47.710 1.00 16.09 O ATOM 533 CB CYS A 65 13.545 17.609 47.849 1.00 17.08 C ATOM 534 SG CYS A 65 12.761 18.964 48.780 1.00 14.93 S ATOM 535 N ASN A 66 11.805 15.104 48.453 1.00 12.03 N ATOM 536 CA ASN A 66 10.797 14.421 49.239 1.00 14.35 C ATOM 537 C ASN A 66 10.928 14.719 50.727 1.00 15.99 C ATOM 538 O ASN A 66 11.996 14.527 51.305 1.00 14.36 O ATOM 539 CB ASN A 66 10.902 12.914 49.019 1.00 19.74 C ATOM 540 CG ASN A 66 10.097 12.130 50.027 1.00 22.07 C ATOM 541 OD1 ASN A 66 10.634 11.300 50.760 1.00 41.47 O ATOM 542 ND2 ASN A 66 8.800 12.395 50.074 1.00 17.76 N ATOM 543 N ASP A 67 9.851 15.202 51.343 1.00 14.79 N ATOM 544 CA ASP A 67 9.881 15.464 52.776 1.00 17.33 C ATOM 545 C ASP A 67 8.844 14.610 53.493 1.00 20.98 C ATOM 546 O ASP A 67 8.670 14.707 54.705 1.00 20.30 O ATOM 547 CB ASP A 67 9.688 16.959 53.075 1.00 10.42 C ATOM 548 CG ASP A 67 8.282 17.453 52.809 1.00 13.39 C ATOM 549 OD1 ASP A 67 7.421 16.675 52.347 1.00 15.74 O ATOM 550 OD2 ASP A 67 8.045 18.649 53.071 1.00 14.76 O ATOM 551 N GLY A 68 8.174 13.757 52.724 1.00 14.96 N ATOM 552 CA GLY A 68 7.174 12.856 53.273 1.00 14.75 C ATOM 553 C GLY A 68 5.921 13.488 53.845 1.00 21.89 C ATOM 554 O GLY A 68 5.097 12.792 54.438 1.00 19.59 O ATOM 555 N LYS A 69 5.755 14.792 53.655 1.00 13.34 N ATOM 556 CA LYS A 69 4.594 15.485 54.200 1.00 16.98 C ATOM 557 C LYS A 69 3.748 16.212 53.171 1.00 33.36 C ATOM 558 O LYS A 69 2.735 16.815 53.519 1.00 25.18 O ATOM 559 CB LYS A 69 5.037 16.500 55.256 1.00 19.06 C ATOM 560 CG LYS A 69 5.905 15.921 56.356 1.00 19.66 C ATOM 561 CD LYS A 69 7.109 16.805 56.613 1.00 31.58 C ATOM 562 CE LYS A 69 7.035 17.453 57.981 1.00 60.94 C ATOM 563 NZ LYS A 69 8.375 17.526 58.630 1.00 69.78 N ATOM 564 N THR A 70 4.139 16.164 51.907 1.00 19.88 N ATOM 565 CA THR A 70 3.361 16.877 50.913 1.00 19.61 C ATOM 566 C THR A 70 2.660 15.987 49.896 1.00 18.81 C ATOM 567 O THR A 70 3.261 15.088 49.308 1.00 18.89 O ATOM 568 CB THR A 70 4.233 17.938 50.188 1.00 26.41 C ATOM 569 OG1 THR A 70 4.589 17.471 48.885 1.00 49.19 O ATOM 570 CG2 THR A 70 5.489 18.225 50.983 1.00 6.05 C ATOM 571 N PRO A 71 1.355 16.218 49.698 1.00 18.99 N ATOM 572 CA PRO A 71 0.551 15.448 48.750 1.00 16.22 C ATOM 573 C PRO A 71 0.976 15.706 47.304 1.00 18.25 C ATOM 574 O PRO A 71 1.343 16.825 46.947 1.00 23.63 O ATOM 575 CB PRO A 71 -0.877 15.921 49.022 1.00 20.69 C ATOM 576 CG PRO A 71 -0.718 17.282 49.604 1.00 30.09 C ATOM 577 CD PRO A 71 0.556 17.238 50.401 1.00 25.56 C ATOM 578 N GLY A 72 0.937 14.664 46.482 1.00 30.68 N ATOM 579 CA GLY A 72 1.311 14.806 45.085 1.00 25.61 C ATOM 580 C GLY A 72 2.781 15.092 44.839 1.00 26.23 C ATOM 581 O GLY A 72 3.135 15.710 43.836 1.00 36.02 O ATOM 582 N ALA A 73 3.642 14.646 45.746 1.00 17.99 N ATOM 583 CA ALA A 73 5.072 14.872 45.597 1.00 17.28 C ATOM 584 C ALA A 73 5.645 14.027 44.456 1.00 21.89 C ATOM 585 O ALA A 73 5.317 12.847 44.318 1.00 19.43 O ATOM 586 CB ALA A 73 5.783 14.550 46.904 1.00 20.89 C ATOM 587 N VAL A 74 6.509 14.641 43.651 1.00 14.79 N ATOM 588 CA VAL A 74 7.141 13.979 42.506 1.00 26.40 C ATOM 589 C VAL A 74 8.613 13.585 42.745 1.00 27.87 C ATOM 590 O VAL A 74 9.109 12.631 42.141 1.00 18.80 O ATOM 591 CB VAL A 74 7.060 14.890 41.248 1.00 21.02 C ATOM 592 CG1 VAL A 74 7.852 14.290 40.107 1.00 35.59 C ATOM 593 CG2 VAL A 74 5.610 15.086 40.843 1.00 38.54 C ATOM 594 N ASN A 75 9.303 14.322 43.614 1.00 18.04 N ATOM 595 CA ASN A 75 10.710 14.051 43.936 1.00 16.02 C ATOM 596 C ASN A 75 11.603 13.925 42.701 1.00 16.03 C ATOM 597 O ASN A 75 12.353 12.958 42.566 1.00 17.01 O ATOM 598 CB ASN A 75 10.827 12.768 44.776 1.00 13.98 C ATOM 599 CG ASN A 75 12.187 12.631 45.451 1.00 13.34 C ATOM 600 OD1 ASN A 75 12.914 13.612 45.619 1.00 16.95 O ATOM 601 ND2 ASN A 75 12.535 11.408 45.836 1.00 13.14 N ATOM 602 N ALA A 76 11.540 14.917 41.816 1.00 15.16 N ATOM 603 CA ALA A 76 12.328 14.896 40.584 1.00 16.02 C ATOM 604 C ALA A 76 13.837 14.879 40.808 1.00 36.27 C ATOM 605 O ALA A 76 14.583 14.428 39.943 1.00 17.55 O ATOM 606 CB ALA A 76 11.943 16.079 39.696 1.00 15.83 C ATOM 607 N CYS A 77 14.295 15.368 41.957 1.00 18.36 N ATOM 608 CA CYS A 77 15.725 15.364 42.247 1.00 13.44 C ATOM 609 C CYS A 77 16.165 14.048 42.895 1.00 13.82 C ATOM 610 O CYS A 77 17.362 13.803 43.049 1.00 14.13 O ATOM 611 CB CYS A 77 16.088 16.540 43.167 1.00 13.30 C ATOM 612 SG CYS A 77 16.229 18.142 42.306 1.00 15.18 S ATOM 613 N HIS A 78 15.198 13.199 43.254 1.00 13.35 N ATOM 614 CA HIS A 78 15.486 11.920 43.912 1.00 12.50 C ATOM 615 C HIS A 78 16.356 12.215 45.126 1.00 14.29 C ATOM 616 O HIS A 78 17.420 11.618 45.317 1.00 13.24 O ATOM 617 CB HIS A 78 16.223 10.983 42.954 1.00 14.31 C ATOM 618 CG HIS A 78 15.431 10.634 41.732 1.00 17.26 C ATOM 619 ND1 HIS A 78 16.023 10.274 40.543 1.00 19.61 N ATOM 620 CD2 HIS A 78 14.098 10.600 41.517 1.00 15.39 C ATOM 621 CE1 HIS A 78 15.087 10.033 39.645 1.00 16.10 C ATOM 622 NE2 HIS A 78 13.907 10.223 40.210 1.00 17.65 N ATOM 623 N LEU A 79 15.878 13.142 45.950 1.00 14.90 N ATOM 624 CA LEU A 79 16.618 13.590 47.122 1.00 14.57 C ATOM 625 C LEU A 79 15.697 13.946 48.278 1.00 16.03 C ATOM 626 O LEU A 79 14.659 14.574 48.080 1.00 16.17 O ATOM 627 CB LEU A 79 17.423 14.845 46.748 1.00 18.03 C ATOM 628 CG LEU A 79 18.879 15.085 47.163 1.00 21.61 C ATOM 629 CD1 LEU A 79 19.084 16.574 47.350 1.00 26.23 C ATOM 630 CD2 LEU A 79 19.224 14.337 48.430 1.00 40.92 C ATOM 631 N SER A 80 16.079 13.553 49.488 1.00 14.77 N ATOM 632 CA SER A 80 15.284 13.899 50.658 1.00 16.35 C ATOM 633 C SER A 80 15.503 15.402 50.856 1.00 10.09 C ATOM 634 O SER A 80 16.624 15.882 50.702 1.00 12.51 O ATOM 635 CB SER A 80 15.779 13.131 51.883 1.00 25.64 C ATOM 636 OG SER A 80 15.492 13.839 53.075 1.00 33.15 O ATOM 637 N CYS A 81 14.446 16.137 51.188 1.00 11.53 N ATOM 638 CA CYS A 81 14.544 17.583 51.388 1.00 7.95 C ATOM 639 C CYS A 81 15.516 17.982 52.493 1.00 17.08 C ATOM 640 O CYS A 81 16.052 19.094 52.487 1.00 15.48 O ATOM 641 CB CYS A 81 13.169 18.175 51.701 1.00 8.62 C ATOM 642 SG CYS A 81 11.933 18.012 50.374 1.00 13.72 S ATOM 643 N SER A 82 15.753 17.077 53.437 1.00 14.51 N ATOM 644 CA SER A 82 16.662 17.377 54.535 1.00 21.32 C ATOM 645 C SER A 82 18.108 17.615 54.063 1.00 17.49 C ATOM 646 O SER A 82 18.889 18.282 54.744 1.00 15.03 O ATOM 647 CB SER A 82 16.596 16.260 55.591 1.00 17.36 C ATOM 648 OG SER A 82 17.257 15.093 55.149 1.00 34.99 O ATOM 649 N ALA A 83 18.461 17.084 52.894 1.00 14.51 N ATOM 650 CA ALA A 83 19.807 17.281 52.345 1.00 12.41 C ATOM 651 C ALA A 83 19.983 18.727 51.864 1.00 10.36 C ATOM 652 O ALA A 83 21.103 19.174 51.609 1.00 14.03 O ATOM 653 CB ALA A 83 20.055 16.311 51.180 1.00 14.32 C ATOM 654 N LEU A 84 18.864 19.440 51.738 1.00 13.36 N ATOM 655 CA LEU A 84 18.864 20.834 51.298 1.00 10.16 C ATOM 656 C LEU A 84 18.947 21.781 52.502 1.00 18.32 C ATOM 657 O LEU A 84 18.838 22.999 52.355 1.00 15.48 O ATOM 658 CB LEU A 84 17.590 21.143 50.500 1.00 10.59 C ATOM 659 CG LEU A 84 17.314 20.353 49.216 1.00 14.87 C ATOM 660 CD1 LEU A 84 16.108 20.940 48.485 1.00 16.71 C ATOM 661 CD2 LEU A 84 18.547 20.382 48.332 1.00 12.73 C ATOM 662 N LEU A 85 19.129 21.216 53.691 1.00 15.39 N ATOM 663 CA LEU A 85 19.224 22.026 54.899 1.00 16.31 C ATOM 664 C LEU A 85 20.596 21.865 55.544 1.00 23.75 C ATOM 665 O LEU A 85 20.755 22.095 56.739 1.00 21.68 O ATOM 666 CB LEU A 85 18.116 21.638 55.893 1.00 12.42 C ATOM 667 CG LEU A 85 16.668 21.837 55.412 1.00 13.53 C ATOM 668 CD1 LEU A 85 15.693 21.303 56.443 1.00 17.64 C ATOM 669 CD2 LEU A 85 16.400 23.313 55.162 1.00 10.75 C ATOM 670 N GLN A 86 21.581 21.473 54.737 1.00 17.47 N ATOM 671 CA GLN A 86 22.954 21.283 55.210 1.00 15.03 C ATOM 672 C GLN A 86 23.788 22.544 55.016 1.00 16.64 C ATOM 673 O GLN A 86 23.440 23.415 54.219 1.00 18.89 O ATOM 674 CB GLN A 86 23.639 20.141 54.453 1.00 20.54 C ATOM 675 CG GLN A 86 22.757 18.956 54.118 1.00 25.76 C ATOM 676 CD GLN A 86 23.506 17.892 53.331 1.00 19.90 C ATOM 677 OE1 GLN A 86 23.177 16.709 53.397 1.00 22.04 O ATOM 678 NE2 GLN A 86 24.522 18.313 52.581 1.00 17.81 N ATOM 679 N ASP A 87 24.898 22.628 55.746 1.00 15.12 N ATOM 680 CA ASP A 87 25.805 23.769 55.644 1.00 15.83 C ATOM 681 C ASP A 87 26.550 23.651 54.320 1.00 16.67 C ATOM 682 O ASP A 87 26.916 24.653 53.704 1.00 17.51 O ATOM 683 CB ASP A 87 26.816 23.752 56.792 1.00 19.55 C ATOM 684 CG ASP A 87 26.213 24.195 58.121 1.00 16.73 C ATOM 685 OD1 ASP A 87 25.016 24.539 58.172 1.00 19.62 O ATOM 686 OD2 ASP A 87 26.955 24.197 59.124 1.00 35.09 O ATOM 687 N ASN A 88 26.787 22.407 53.909 1.00 14.44 N ATOM 688 CA ASN A 88 27.466 22.103 52.654 1.00 19.54 C ATOM 689 C ASN A 88 26.361 22.086 51.598 1.00 16.07 C ATOM 690 O ASN A 88 25.459 21.254 51.657 1.00 16.80 O ATOM 691 CB ASN A 88 28.147 20.731 52.751 1.00 16.35 C ATOM 692 CG ASN A 88 28.937 20.381 51.504 1.00 21.18 C ATOM 693 OD1 ASN A 88 28.386 20.315 50.409 1.00 29.24 O ATOM 694 ND2 ASN A 88 30.235 20.157 51.668 1.00 27.21 N ATOM 695 N ILE A 89 26.430 23.004 50.638 1.00 16.78 N ATOM 696 CA ILE A 89 25.395 23.113 49.611 1.00 14.18 C ATOM 697 C ILE A 89 25.594 22.293 48.339 1.00 15.83 C ATOM 698 O ILE A 89 24.890 22.501 47.353 1.00 15.31 O ATOM 699 CB ILE A 89 25.186 24.589 49.215 1.00 13.37 C ATOM 700 CG1 ILE A 89 26.424 25.123 48.484 1.00 16.19 C ATOM 701 CG2 ILE A 89 24.902 25.417 50.468 1.00 16.63 C ATOM 702 CD1 ILE A 89 26.298 26.576 48.057 1.00 15.27 C ATOM 703 N ALA A 90 26.535 21.357 48.361 1.00 15.13 N ATOM 704 CA ALA A 90 26.796 20.524 47.196 1.00 20.97 C ATOM 705 C ALA A 90 25.524 19.840 46.694 1.00 22.95 C ATOM 706 O ALA A 90 25.215 19.904 45.506 1.00 17.50 O ATOM 707 CB ALA A 90 27.861 19.482 47.528 1.00 18.35 C ATOM 708 N ASP A 91 24.788 19.194 47.597 1.00 13.46 N ATOM 709 CA ASP A 91 23.553 18.499 47.227 1.00 15.35 C ATOM 710 C ASP A 91 22.502 19.441 46.671 1.00 16.32 C ATOM 711 O ASP A 91 21.828 19.126 45.696 1.00 14.48 O ATOM 712 CB ASP A 91 22.953 17.776 48.433 1.00 12.60 C ATOM 713 CG ASP A 91 23.935 16.845 49.089 1.00 18.25 C ATOM 714 OD1 ASP A 91 24.967 17.332 49.591 1.00 21.21 O ATOM 715 OD2 ASP A 91 23.674 15.627 49.099 1.00 17.76 O ATOM 716 N ALA A 92 22.358 20.593 47.317 1.00 12.52 N ATOM 717 CA ALA A 92 21.383 21.586 46.906 1.00 16.29 C ATOM 718 C ALA A 92 21.678 22.070 45.492 1.00 15.26 C ATOM 719 O ALA A 92 20.769 22.207 44.674 1.00 15.97 O ATOM 720 CB ALA A 92 21.400 22.758 47.880 1.00 12.78 C ATOM 721 N VAL A 93 22.951 22.322 45.203 1.00 13.80 N ATOM 722 CA VAL A 93 23.341 22.802 43.880 1.00 18.98 C ATOM 723 C VAL A 93 23.063 21.765 42.788 1.00 16.14 C ATOM 724 O VAL A 93 22.649 22.122 41.687 1.00 14.22 O ATOM 725 CB VAL A 93 24.836 23.209 43.853 1.00 21.43 C ATOM 726 CG1 VAL A 93 25.289 23.474 42.420 1.00 23.24 C ATOM 727 CG2 VAL A 93 25.042 24.460 44.703 1.00 14.88 C ATOM 728 N ALA A 94 23.274 20.486 43.094 1.00 17.20 N ATOM 729 CA ALA A 94 23.025 19.422 42.119 1.00 17.87 C ATOM 730 C ALA A 94 21.542 19.353 41.770 1.00 18.56 C ATOM 731 O ALA A 94 21.177 19.046 40.638 1.00 17.62 O ATOM 732 CB ALA A 94 23.494 18.076 42.663 1.00 15.34 C ATOM 733 N CYS A 95 20.686 19.640 42.747 1.00 13.36 N ATOM 734 CA CYS A 95 19.245 19.618 42.522 1.00 15.05 C ATOM 735 C CYS A 95 18.822 20.890 41.778 1.00 16.43 C ATOM 736 O CYS A 95 17.983 20.847 40.880 1.00 16.77 O ATOM 737 CB CYS A 95 18.509 19.507 43.861 1.00 11.96 C ATOM 738 SG CYS A 95 16.693 19.485 43.764 1.00 15.49 S ATOM 739 N LEU A 96 19.414 22.016 42.155 1.00 11.51 N ATOM 740 CA LEU A 96 19.117 23.290 41.515 1.00 13.10 C ATOM 741 C LEU A 96 19.376 23.171 40.013 1.00 16.73 C ATOM 742 O LEU A 96 18.588 23.646 39.193 1.00 16.31 O ATOM 743 CB LEU A 96 20.010 24.392 42.099 1.00 14.28 C ATOM 744 CG LEU A 96 20.022 25.739 41.370 1.00 15.67 C ATOM 745 CD1 LEU A 96 18.637 26.359 41.421 1.00 20.45 C ATOM 746 CD2 LEU A 96 21.043 26.667 42.009 1.00 17.24 C ATOM 747 N LYS A 97 20.493 22.542 39.666 1.00 13.45 N ATOM 748 CA LYS A 97 20.866 22.361 38.270 1.00 23.24 C ATOM 749 C LYS A 97 19.797 21.578 37.516 1.00 26.42 C ATOM 750 O LYS A 97 19.577 21.802 36.328 1.00 19.02 O ATOM 751 CB LYS A 97 22.216 21.650 38.178 1.00 12.01 C ATOM 752 CG LYS A 97 23.408 22.578 38.377 1.00 12.97 C ATOM 753 CD LYS A 97 24.710 21.804 38.365 1.00 11.41 C ATOM 754 CE LYS A 97 25.897 22.714 38.601 1.00 13.70 C ATOM 755 NZ LYS A 97 27.155 21.924 38.768 1.00 17.31 N ATOM 756 N ARG A 98 19.128 20.666 38.215 1.00 12.76 N ATOM 757 CA ARG A 98 18.068 19.870 37.609 1.00 12.83 C ATOM 758 C ARG A 98 16.806 20.723 37.490 1.00 28.22 C ATOM 759 O ARG A 98 16.108 20.678 36.476 1.00 15.40 O ATOM 760 CB ARG A 98 17.774 18.628 38.464 1.00 8.21 C ATOM 761 CG ARG A 98 16.442 17.938 38.150 1.00 14.03 C ATOM 762 CD ARG A 98 16.398 17.417 36.717 1.00 23.21 C ATOM 763 NE ARG A 98 15.117 16.795 36.388 1.00 17.45 N ATOM 764 CZ ARG A 98 14.093 17.431 35.825 1.00 22.29 C ATOM 765 NH1 ARG A 98 14.185 18.720 35.523 1.00 17.08 N ATOM 766 NH2 ARG A 98 12.969 16.776 35.565 1.00 22.54 N ATOM 767 N VAL A 99 16.523 21.503 38.530 1.00 15.09 N ATOM 768 CA VAL A 99 15.340 22.360 38.545 1.00 13.63 C ATOM 769 C VAL A 99 15.294 23.333 37.364 1.00 19.60 C ATOM 770 O VAL A 99 14.247 23.501 36.736 1.00 22.80 O ATOM 771 CB VAL A 99 15.257 23.189 39.857 1.00 18.79 C ATOM 772 CG1 VAL A 99 14.076 24.156 39.794 1.00 16.93 C ATOM 773 CG2 VAL A 99 15.108 22.266 41.054 1.00 14.99 C ATOM 774 N VAL A 100 16.425 23.968 37.063 1.00 11.75 N ATOM 775 CA VAL A 100 16.477 24.946 35.978 1.00 27.34 C ATOM 776 C VAL A 100 16.509 24.340 34.577 1.00 29.60 C ATOM 777 O VAL A 100 16.474 25.065 33.583 1.00 23.90 O ATOM 778 CB VAL A 100 17.680 25.926 36.146 1.00 21.46 C ATOM 779 CG1 VAL A 100 17.584 26.624 37.487 1.00 19.97 C ATOM 780 CG2 VAL A 100 19.004 25.190 36.020 1.00 16.56 C ATOM 781 N ARG A 101 16.566 23.016 34.494 1.00 21.94 N ATOM 782 CA ARG A 101 16.584 22.360 33.196 1.00 31.66 C ATOM 783 C ARG A 101 15.165 22.220 32.669 1.00 31.17 C ATOM 784 O ARG A 101 14.940 21.716 31.571 1.00 52.24 O ATOM 785 CB ARG A 101 17.274 20.997 33.289 1.00 21.70 C ATOM 786 CG ARG A 101 18.797 21.115 33.264 1.00 26.72 C ATOM 787 CD ARG A 101 19.467 19.875 32.706 1.00 52.36 C ATOM 788 NE ARG A 101 19.343 18.736 33.615 1.00100.00 N ATOM 789 CZ ARG A 101 19.997 18.611 34.768 1.00 80.79 C ATOM 790 NH1 ARG A 101 20.837 19.557 35.173 1.00 27.97 N ATOM 791 NH2 ARG A 101 19.811 17.531 35.516 1.00 31.22 N ATOM 792 N ASP A 102 14.202 22.675 33.465 1.00 24.66 N ATOM 793 CA ASP A 102 12.811 22.639 33.049 1.00 29.14 C ATOM 794 C ASP A 102 12.580 23.904 32.219 1.00 24.71 C ATOM 795 O ASP A 102 13.358 24.851 32.308 1.00 20.97 O ATOM 796 CB ASP A 102 11.887 22.600 34.267 1.00 25.68 C ATOM 797 CG ASP A 102 11.392 21.196 34.569 1.00 39.80 C ATOM 798 OD1 ASP A 102 12.122 20.224 34.269 1.00 32.88 O ATOM 799 OD2 ASP A 102 10.273 21.059 35.100 1.00 45.96 O ATOM 800 N PRO A 103 11.517 23.930 31.401 1.00 45.13 N ATOM 801 CA PRO A 103 11.174 25.069 30.534 1.00 34.68 C ATOM 802 C PRO A 103 11.301 26.496 31.090 1.00 24.86 C ATOM 803 O PRO A 103 11.861 27.368 30.421 1.00 32.65 O ATOM 804 CB PRO A 103 9.751 24.751 30.082 1.00 37.12 C ATOM 805 CG PRO A 103 9.700 23.260 30.081 1.00 31.23 C ATOM 806 CD PRO A 103 10.542 22.832 31.260 1.00 35.65 C ATOM 807 N GLN A 104 10.786 26.741 32.293 1.00 30.07 N ATOM 808 CA GLN A 104 10.843 28.075 32.900 1.00 24.72 C ATOM 809 C GLN A 104 12.246 28.499 33.332 1.00 19.53 C ATOM 810 O GLN A 104 12.550 29.692 33.404 1.00 23.45 O ATOM 811 CB GLN A 104 9.908 28.142 34.110 1.00 23.01 C ATOM 812 CG GLN A 104 8.464 28.459 33.769 1.00 58.87 C ATOM 813 CD GLN A 104 7.665 28.890 34.983 1.00 83.45 C ATOM 814 OE1 GLN A 104 7.422 28.097 35.892 1.00 83.76 O ATOM 815 NE2 GLN A 104 7.254 30.153 35.003 1.00 78.41 N ATOM 816 N GLY A 105 13.100 27.521 33.616 1.00 25.07 N ATOM 817 CA GLY A 105 14.448 27.832 34.051 1.00 21.18 C ATOM 818 C GLY A 105 14.396 28.560 35.382 1.00 25.04 C ATOM 819 O GLY A 105 13.568 28.242 36.237 1.00 20.33 O ATOM 820 N ILE A 106 15.270 29.547 35.546 1.00 19.75 N ATOM 821 CA ILE A 106 15.341 30.336 36.767 1.00 18.86 C ATOM 822 C ILE A 106 14.092 31.197 36.983 1.00 27.64 C ATOM 823 O ILE A 106 13.880 31.733 38.072 1.00 23.91 O ATOM 824 CB ILE A 106 16.602 31.242 36.750 1.00 20.48 C ATOM 825 CG1 ILE A 106 16.906 31.750 38.160 1.00 18.14 C ATOM 826 CG2 ILE A 106 16.400 32.408 35.790 1.00 16.91 C ATOM 827 CD1 ILE A 106 18.258 32.431 38.284 1.00 18.43 C ATOM 828 N ARG A 107 13.263 31.331 35.951 1.00 17.88 N ATOM 829 CA ARG A 107 12.045 32.131 36.059 1.00 17.56 C ATOM 830 C ARG A 107 10.987 31.436 36.905 1.00 21.46 C ATOM 831 O ARG A 107 9.900 31.974 37.113 1.00 20.23 O ATOM 832 CB ARG A 107 11.464 32.417 34.675 1.00 14.34 C ATOM 833 CG ARG A 107 12.418 33.137 33.751 1.00 24.72 C ATOM 834 CD ARG A 107 11.859 33.195 32.349 1.00 31.31 C ATOM 835 NE ARG A 107 11.524 34.561 31.974 1.00 55.12 N ATOM 836 CZ ARG A 107 10.290 34.992 31.748 1.00 25.16 C ATOM 837 NH1 ARG A 107 9.262 34.162 31.858 1.00 54.80 N ATOM 838 NH2 ARG A 107 10.086 36.257 31.413 1.00 60.56 N ATOM 839 N ALA A 108 11.307 30.240 37.389 1.00 29.85 N ATOM 840 CA ALA A 108 10.380 29.480 38.222 1.00 29.66 C ATOM 841 C ALA A 108 10.132 30.181 39.563 1.00 23.92 C ATOM 842 O ALA A 108 9.052 30.062 40.145 1.00 31.22 O ATOM 843 CB ALA A 108 10.928 28.076 38.460 1.00 25.70 C ATOM 844 N TRP A 109 11.134 30.913 40.044 1.00 20.40 N ATOM 845 CA TRP A 109 11.029 31.627 41.314 1.00 15.84 C ATOM 846 C TRP A 109 10.460 33.024 41.111 1.00 20.89 C ATOM 847 O TRP A 109 11.072 33.863 40.453 1.00 21.71 O ATOM 848 CB TRP A 109 12.406 31.729 41.973 1.00 14.89 C ATOM 849 CG TRP A 109 12.879 30.452 42.592 1.00 24.80 C ATOM 850 CD1 TRP A 109 12.630 30.016 43.862 1.00 25.86 C ATOM 851 CD2 TRP A 109 13.717 29.460 41.984 1.00 26.22 C ATOM 852 NE1 TRP A 109 13.262 28.815 44.085 1.00 20.36 N ATOM 853 CE2 TRP A 109 13.936 28.450 42.950 1.00 19.60 C ATOM 854 CE3 TRP A 109 14.304 29.325 40.717 1.00 20.39 C ATOM 855 CZ2 TRP A 109 14.720 27.319 42.690 1.00 18.78 C ATOM 856 CZ3 TRP A 109 15.087 28.197 40.457 1.00 28.48 C ATOM 857 CH2 TRP A 109 15.285 27.211 41.443 1.00 18.59 C ATOM 858 N VAL A 110 9.295 33.275 41.692 1.00 19.76 N ATOM 859 CA VAL A 110 8.648 34.574 41.562 1.00 23.51 C ATOM 860 C VAL A 110 9.487 35.721 42.114 1.00 25.71 C ATOM 861 O VAL A 110 9.521 36.804 41.529 1.00 26.15 O ATOM 862 CB VAL A 110 7.273 34.584 42.261 1.00 38.46 C ATOM 863 CG1 VAL A 110 6.669 35.977 42.208 1.00 42.55 C ATOM 864 CG2 VAL A 110 6.347 33.587 41.586 1.00 43.79 C ATOM 865 N ALA A 111 10.160 35.491 43.238 1.00 21.56 N ATOM 866 CA ALA A 111 10.993 36.528 43.845 1.00 20.96 C ATOM 867 C ALA A 111 12.121 36.943 42.905 1.00 23.57 C ATOM 868 O ALA A 111 12.493 38.116 42.849 1.00 25.51 O ATOM 869 CB ALA A 111 11.574 36.038 45.167 1.00 24.03 C ATOM 870 N TRP A 112 12.672 35.981 42.171 1.00 30.14 N ATOM 871 CA TRP A 112 13.752 36.282 41.239 1.00 23.74 C ATOM 872 C TRP A 112 13.192 37.142 40.105 1.00 22.02 C ATOM 873 O TRP A 112 13.802 38.136 39.700 1.00 21.63 O ATOM 874 CB TRP A 112 14.363 34.990 40.681 1.00 19.28 C ATOM 875 CG TRP A 112 15.519 35.256 39.778 1.00 22.50 C ATOM 876 CD1 TRP A 112 16.821 35.440 40.144 1.00 19.30 C ATOM 877 CD2 TRP A 112 15.468 35.458 38.362 1.00 23.74 C ATOM 878 NE1 TRP A 112 17.585 35.750 39.043 1.00 24.27 N ATOM 879 CE2 TRP A 112 16.778 35.769 37.935 1.00 24.66 C ATOM 880 CE3 TRP A 112 14.438 35.410 37.409 1.00 20.64 C ATOM 881 CZ2 TRP A 112 17.090 36.030 36.597 1.00 23.46 C ATOM 882 CZ3 TRP A 112 14.748 35.671 36.078 1.00 22.27 C ATOM 883 CH2 TRP A 112 16.065 35.977 35.687 1.00 13.62 C ATOM 884 N ARG A 113 12.021 36.762 39.605 1.00 14.97 N ATOM 885 CA ARG A 113 11.370 37.507 38.538 1.00 20.75 C ATOM 886 C ARG A 113 11.101 38.941 38.985 1.00 28.55 C ATOM 887 O ARG A 113 11.328 39.893 38.239 1.00 22.86 O ATOM 888 CB ARG A 113 10.044 36.844 38.164 1.00 21.02 C ATOM 889 CG ARG A 113 10.181 35.673 37.215 1.00 27.44 C ATOM 890 CD ARG A 113 8.830 35.286 36.647 1.00 30.98 C ATOM 891 NE ARG A 113 8.344 34.030 37.207 1.00 68.77 N ATOM 892 CZ ARG A 113 7.360 33.938 38.095 1.00 66.48 C ATOM 893 NH1 ARG A 113 6.751 35.033 38.528 1.00 70.85 N ATOM 894 NH2 ARG A 113 6.985 32.751 38.551 1.00 71.31 N ATOM 895 N ASN A 114 10.630 39.089 40.217 1.00 19.78 N ATOM 896 CA ASN A 114 10.296 40.402 40.759 1.00 22.51 C ATOM 897 C ASN A 114 11.470 41.274 41.190 1.00 21.72 C ATOM 898 O ASN A 114 11.413 42.496 41.050 1.00 33.85 O ATOM 899 CB ASN A 114 9.346 40.246 41.950 1.00 26.26 C ATOM 900 CG ASN A 114 8.000 39.673 41.555 1.00 31.65 C ATOM 901 OD1 ASN A 114 7.389 38.916 42.313 1.00 46.88 O ATOM 902 ND2 ASN A 114 7.531 40.028 40.365 1.00 39.27 N ATOM 903 N ARG A 115 12.532 40.662 41.704 1.00 19.79 N ATOM 904 CA ARG A 115 13.673 41.439 42.188 1.00 20.65 C ATOM 905 C ARG A 115 15.002 41.326 41.440 1.00 21.86 C ATOM 906 O ARG A 115 15.921 42.103 41.705 1.00 22.12 O ATOM 907 CB ARG A 115 13.916 41.108 43.665 1.00 30.62 C ATOM 908 CG ARG A 115 13.036 41.889 44.619 1.00 34.30 C ATOM 909 CD ARG A 115 12.293 40.974 45.566 1.00 47.05 C ATOM 910 NE ARG A 115 11.157 41.648 46.191 1.00 89.18 N ATOM 911 CZ ARG A 115 11.222 42.835 46.789 1.00 87.84 C ATOM 912 NH1 ARG A 115 12.372 43.495 46.848 1.00 66.84 N ATOM 913 NH2 ARG A 115 10.133 43.366 47.328 1.00 87.10 N ATOM 914 N CYS A 116 15.113 40.380 40.512 1.00 19.66 N ATOM 915 CA CYS A 116 16.368 40.196 39.789 1.00 20.99 C ATOM 916 C CYS A 116 16.283 40.352 38.273 1.00 20.96 C ATOM 917 O CYS A 116 17.107 41.036 37.663 1.00 18.26 O ATOM 918 CB CYS A 116 16.948 38.819 40.113 1.00 18.01 C ATOM 919 SG CYS A 116 17.075 38.476 41.897 1.00 19.46 S ATOM 920 N GLN A 117 15.289 39.710 37.671 1.00 19.50 N ATOM 921 CA GLN A 117 15.114 39.749 36.223 1.00 20.28 C ATOM 922 C GLN A 117 15.181 41.140 35.595 1.00 21.06 C ATOM 923 O GLN A 117 14.499 42.068 36.037 1.00 18.04 O ATOM 924 CB GLN A 117 13.790 39.089 35.845 1.00 18.00 C ATOM 925 CG GLN A 117 13.631 38.865 34.354 1.00 22.17 C ATOM 926 CD GLN A 117 12.496 37.926 34.024 1.00 20.51 C ATOM 927 OE1 GLN A 117 12.708 36.843 33.478 1.00 27.04 O ATOM 928 NE2 GLN A 117 11.279 38.336 34.355 1.00 26.89 N ATOM 929 N ASN A 118 16.014 41.265 34.560 1.00 20.47 N ATOM 930 CA ASN A 118 16.193 42.508 33.803 1.00 16.79 C ATOM 931 C ASN A 118 16.786 43.683 34.573 1.00 26.33 C ATOM 932 O ASN A 118 16.838 44.803 34.056 1.00 21.58 O ATOM 933 CB ASN A 118 14.859 42.955 33.199 1.00 11.48 C ATOM 934 CG ASN A 118 14.308 41.966 32.189 1.00 18.20 C ATOM 935 OD1 ASN A 118 13.113 41.975 31.889 1.00 27.60 O ATOM 936 ND2 ASN A 118 15.172 41.107 31.661 1.00 13.82 N ATOM 937 N ARG A 119 17.234 43.442 35.801 1.00 23.57 N ATOM 938 CA ARG A 119 17.806 44.512 36.608 1.00 20.39 C ATOM 939 C ARG A 119 19.312 44.386 36.732 1.00 12.14 C ATOM 940 O ARG A 119 19.887 43.340 36.422 1.00 19.07 O ATOM 941 CB ARG A 119 17.191 44.504 38.011 1.00 25.74 C ATOM 942 CG ARG A 119 15.714 44.828 38.046 1.00 21.44 C ATOM 943 CD ARG A 119 15.052 44.224 39.268 1.00 26.49 C ATOM 944 NE ARG A 119 13.648 44.608 39.367 1.00 32.44 N ATOM 945 CZ ARG A 119 13.223 45.805 39.763 1.00 46.48 C ATOM 946 NH1 ARG A 119 14.093 46.747 40.104 1.00 65.34 N ATOM 947 NH2 ARG A 119 11.924 46.059 39.820 1.00 49.91 N ATOM 948 N ASP A 120 19.948 45.460 37.183 1.00 14.89 N ATOM 949 CA ASP A 120 21.388 45.459 37.384 1.00 21.17 C ATOM 950 C ASP A 120 21.649 44.584 38.610 1.00 27.48 C ATOM 951 O ASP A 120 21.157 44.874 39.697 1.00 25.70 O ATOM 952 CB ASP A 120 21.882 46.886 37.642 1.00 25.34 C ATOM 953 CG ASP A 120 23.382 47.032 37.458 1.00 25.45 C ATOM 954 OD1 ASP A 120 24.129 46.153 37.930 1.00 21.63 O ATOM 955 OD2 ASP A 120 23.817 48.028 36.840 1.00 56.22 O ATOM 956 N VAL A 121 22.408 43.508 38.436 1.00 17.74 N ATOM 957 CA VAL A 121 22.700 42.611 39.548 1.00 17.43 C ATOM 958 C VAL A 121 24.195 42.499 39.785 1.00 19.43 C ATOM 959 O VAL A 121 24.655 41.585 40.467 1.00 23.80 O ATOM 960 CB VAL A 121 22.137 41.192 39.292 1.00 17.15 C ATOM 961 CG1 VAL A 121 20.620 41.235 39.263 1.00 19.84 C ATOM 962 CG2 VAL A 121 22.679 40.642 37.973 1.00 18.53 C ATOM 963 N ARG A 122 24.953 43.433 39.223 1.00 19.33 N ATOM 964 CA ARG A 122 26.402 43.421 39.374 1.00 16.64 C ATOM 965 C ARG A 122 26.842 43.587 40.829 1.00 20.24 C ATOM 966 O ARG A 122 27.928 43.159 41.208 1.00 24.98 O ATOM 967 CB ARG A 122 27.026 44.523 38.514 1.00 21.38 C ATOM 968 CG ARG A 122 26.753 44.375 37.020 1.00 29.38 C ATOM 969 CD ARG A 122 27.446 45.469 36.216 1.00 20.12 C ATOM 970 NE ARG A 122 26.641 46.682 36.119 1.00 50.79 N ATOM 971 CZ ARG A 122 27.035 47.789 35.500 1.00 74.28 C ATOM 972 NH1 ARG A 122 28.226 47.837 34.921 1.00 80.66 N ATOM 973 NH2 ARG A 122 26.239 48.847 35.459 1.00 86.80 N ATOM 974 N GLN A 123 25.988 44.201 41.639 1.00 17.80 N ATOM 975 CA GLN A 123 26.282 44.431 43.051 1.00 41.13 C ATOM 976 C GLN A 123 26.524 43.155 43.862 1.00 36.74 C ATOM 977 O GLN A 123 27.334 43.150 44.790 1.00 24.93 O ATOM 978 CB GLN A 123 25.132 45.209 43.686 1.00 24.69 C ATOM 979 CG GLN A 123 23.774 44.783 43.162 1.00 57.60 C ATOM 980 CD GLN A 123 22.662 45.005 44.162 1.00 58.37 C ATOM 981 OE1 GLN A 123 21.526 45.300 43.786 1.00 63.44 O ATOM 982 NE2 GLN A 123 22.979 44.864 45.444 1.00 57.82 N ATOM 983 N TYR A 124 25.828 42.078 43.510 1.00 26.04 N ATOM 984 CA TYR A 124 25.949 40.812 44.231 1.00 19.04 C ATOM 985 C TYR A 124 27.309 40.115 44.157 1.00 28.56 C ATOM 986 O TYR A 124 27.608 39.261 44.991 1.00 31.85 O ATOM 987 CB TYR A 124 24.843 39.852 43.773 1.00 15.89 C ATOM 988 CG TYR A 124 23.459 40.387 44.041 1.00 17.64 C ATOM 989 CD1 TYR A 124 22.882 40.285 45.309 1.00 17.60 C ATOM 990 CD2 TYR A 124 22.739 41.034 43.040 1.00 16.12 C ATOM 991 CE1 TYR A 124 21.621 40.822 45.575 1.00 20.62 C ATOM 992 CE2 TYR A 124 21.478 41.575 43.293 1.00 25.53 C ATOM 993 CZ TYR A 124 20.926 41.467 44.562 1.00 30.80 C ATOM 994 OH TYR A 124 19.688 42.012 44.816 1.00 31.04 O ATOM 995 N VAL A 125 28.136 40.468 43.177 1.00 18.48 N ATOM 996 CA VAL A 125 29.454 39.840 43.055 1.00 21.86 C ATOM 997 C VAL A 125 30.594 40.855 43.123 1.00 20.61 C ATOM 998 O VAL A 125 31.765 40.499 42.969 1.00 25.65 O ATOM 999 CB VAL A 125 29.593 39.042 41.733 1.00 24.97 C ATOM 1000 CG1 VAL A 125 28.627 37.868 41.726 1.00 23.08 C ATOM 1001 CG2 VAL A 125 29.338 39.953 40.542 1.00 29.13 C ATOM 1002 N GLN A 126 30.247 42.115 43.362 1.00 24.73 N ATOM 1003 CA GLN A 126 31.238 43.180 43.441 1.00 38.75 C ATOM 1004 C GLN A 126 32.190 43.006 44.619 1.00 27.61 C ATOM 1005 O GLN A 126 31.759 42.864 45.762 1.00 37.09 O ATOM 1006 CB GLN A 126 30.542 44.537 43.556 1.00 34.13 C ATOM 1007 CG GLN A 126 30.170 45.158 42.222 1.00 79.51 C ATOM 1008 CD GLN A 126 29.537 46.526 42.378 1.00 95.94 C ATOM 1009 OE1 GLN A 126 29.923 47.305 43.251 1.00 94.91 O ATOM 1010 NE2 GLN A 126 28.561 46.828 41.528 1.00 98.30 N ATOM 1011 N GLY A 127 33.487 43.018 44.327 1.00 35.97 N ATOM 1012 CA GLY A 127 34.491 42.882 45.367 1.00 31.05 C ATOM 1013 C GLY A 127 34.752 41.476 45.876 1.00 30.51 C ATOM 1014 O GLY A 127 35.471 41.301 46.860 1.00 39.07 O ATOM 1015 N CYS A 128 34.184 40.473 45.216 1.00 22.80 N ATOM 1016 CA CYS A 128 34.373 39.093 45.638 1.00 26.30 C ATOM 1017 C CYS A 128 35.527 38.412 44.912 1.00 25.48 C ATOM 1018 O CYS A 128 35.885 37.282 45.234 1.00 34.55 O ATOM 1019 CB CYS A 128 33.084 38.301 45.421 1.00 16.50 C ATOM 1020 SG CYS A 128 31.664 38.950 46.354 1.00 26.44 S ATOM 1021 N GLY A 129 36.109 39.102 43.937 1.00 48.48 N ATOM 1022 CA GLY A 129 37.215 38.528 43.194 1.00 40.56 C ATOM 1023 C GLY A 129 36.848 37.221 42.514 1.00 45.93 C ATOM 1024 O GLY A 129 37.617 36.258 42.545 1.00 49.40 O ATOM 1025 N VAL A 130 35.670 37.186 41.896 1.00 40.08 N ATOM 1026 CA VAL A 130 35.198 35.991 41.203 1.00 45.17 C ATOM 1027 C VAL A 130 35.120 36.220 39.698 1.00 45.51 C ATOM 1028 O VAL A 130 35.244 37.388 39.274 1.00 48.04 O ATOM 1029 CB VAL A 130 33.798 35.565 41.698 1.00 32.76 C ATOM 1030 CG1 VAL A 130 33.894 34.997 43.105 1.00 29.42 C ATOM 1031 CG2 VAL A 130 32.849 36.752 41.659 1.00 21.22 C ATOM 1032 OXT VAL A 130 34.936 35.228 38.964 1.00 54.25 O TER 1033 VAL A 130 ATOM 1034 N LYS A 1 28.134 11.739 48.743 1.00 19.43 N ATOM 1035 CA LYS A 1 29.101 12.558 47.960 1.00 21.46 C ATOM 1036 C LYS A 1 28.524 12.984 46.609 1.00 17.76 C ATOM 1037 O LYS A 1 27.844 12.204 45.944 1.00 14.31 O ATOM 1038 CB LYS A 1 30.383 11.757 47.724 1.00 15.57 C ATOM 1039 CG LYS A 1 31.293 12.352 46.666 1.00 22.39 C ATOM 1040 CD LYS A 1 32.470 11.440 46.357 1.00 22.63 C ATOM 1041 CE LYS A 1 33.463 12.138 45.448 1.00 23.12 C ATOM 1042 NZ LYS A 1 34.827 11.575 45.597 1.00 39.71 N ATOM 1043 N VAL A 2 28.783 14.227 46.213 1.00 17.10 N ATOM 1044 CA VAL A 2 28.321 14.710 44.919 1.00 16.39 C ATOM 1045 C VAL A 2 29.562 14.823 44.041 1.00 16.25 C ATOM 1046 O VAL A 2 30.401 15.698 44.247 1.00 19.42 O ATOM 1047 CB VAL A 2 27.627 16.088 45.022 1.00 25.01 C ATOM 1048 CG1 VAL A 2 27.174 16.548 43.635 1.00 16.41 C ATOM 1049 CG2 VAL A 2 26.427 16.002 45.961 1.00 19.07 C ATOM 1050 N PHE A 3 29.680 13.915 43.076 1.00 18.44 N ATOM 1051 CA PHE A 3 30.822 13.881 42.164 1.00 18.45 C ATOM 1052 C PHE A 3 30.854 15.055 41.204 1.00 16.50 C ATOM 1053 O PHE A 3 29.811 15.570 40.796 1.00 18.50 O ATOM 1054 CB PHE A 3 30.796 12.608 41.314 1.00 16.81 C ATOM 1055 CG PHE A 3 31.376 11.406 41.987 1.00 19.22 C ATOM 1056 CD1 PHE A 3 30.595 10.626 42.835 1.00 20.63 C ATOM 1057 CD2 PHE A 3 32.694 11.032 41.752 1.00 17.35 C ATOM 1058 CE1 PHE A 3 31.119 9.485 43.435 1.00 30.77 C ATOM 1059 CE2 PHE A 3 33.229 9.897 42.343 1.00 17.41 C ATOM 1060 CZ PHE A 3 32.440 9.120 43.189 1.00 24.32 C ATOM 1061 N GLU A 4 32.062 15.472 40.844 1.00 24.75 N ATOM 1062 CA GLU A 4 32.232 16.537 39.867 1.00 22.43 C ATOM 1063 C GLU A 4 32.203 15.756 38.556 1.00 19.66 C ATOM 1064 O GLU A 4 32.681 14.621 38.506 1.00 20.33 O ATOM 1065 CB GLU A 4 33.583 17.225 40.046 1.00 16.22 C ATOM 1066 CG GLU A 4 33.518 18.740 39.944 1.00 58.42 C ATOM 1067 CD GLU A 4 33.580 19.425 41.303 1.00100.00 C ATOM 1068 OE1 GLU A 4 33.979 18.765 42.287 1.00100.00 O ATOM 1069 OE2 GLU A 4 33.229 20.623 41.387 1.00 90.31 O ATOM 1070 N ARG A 5 31.636 16.344 37.508 1.00 22.01 N ATOM 1071 CA ARG A 5 31.524 15.671 36.214 1.00 28.11 C ATOM 1072 C ARG A 5 32.738 14.847 35.777 1.00 34.12 C ATOM 1073 O ARG A 5 32.651 13.623 35.642 1.00 19.56 O ATOM 1074 CB ARG A 5 31.186 16.682 35.116 1.00 29.16 C ATOM 1075 CG ARG A 5 30.903 16.035 33.766 1.00 18.87 C ATOM 1076 CD ARG A 5 30.369 17.044 32.761 1.00 19.20 C ATOM 1077 NE ARG A 5 31.371 18.045 32.408 1.00 27.10 N ATOM 1078 CZ ARG A 5 32.286 17.885 31.456 1.00 37.10 C ATOM 1079 NH1 ARG A 5 32.331 16.760 30.756 1.00 30.67 N ATOM 1080 NH2 ARG A 5 33.158 18.851 31.203 1.00 50.24 N ATOM 1081 N CYS A 6 33.867 15.511 35.552 1.00 22.84 N ATOM 1082 CA CYS A 6 35.061 14.810 35.099 1.00 20.43 C ATOM 1083 C CYS A 6 35.634 13.840 36.118 1.00 20.44 C ATOM 1084 O CYS A 6 36.298 12.875 35.749 1.00 22.09 O ATOM 1085 CB CYS A 6 36.126 15.818 34.662 1.00 19.19 C ATOM 1086 SG CYS A 6 35.691 16.658 33.104 1.00 27.99 S ATOM 1087 N GLU A 7 35.376 14.093 37.397 1.00 20.49 N ATOM 1088 CA GLU A 7 35.857 13.218 38.461 1.00 16.13 C ATOM 1089 C GLU A 7 35.147 11.864 38.367 1.00 12.02 C ATOM 1090 O GLU A 7 35.748 10.809 38.581 1.00 18.95 O ATOM 1091 CB GLU A 7 35.585 13.861 39.829 1.00 23.13 C ATOM 1092 CG GLU A 7 35.948 12.993 41.022 1.00 27.29 C ATOM 1093 CD GLU A 7 35.297 13.466 42.313 1.00 59.40 C ATOM 1094 OE1 GLU A 7 34.449 14.387 42.261 1.00 29.75 O ATOM 1095 OE2 GLU A 7 35.635 12.916 43.381 1.00 43.18 O ATOM 1096 N LEU A 8 33.859 11.904 38.050 1.00 15.14 N ATOM 1097 CA LEU A 8 33.082 10.682 37.914 1.00 17.53 C ATOM 1098 C LEU A 8 33.504 9.949 36.638 1.00 18.47 C ATOM 1099 O LEU A 8 33.670 8.729 36.641 1.00 16.71 O ATOM 1100 CB LEU A 8 31.587 11.012 37.860 1.00 12.39 C ATOM 1101 CG LEU A 8 30.640 9.827 37.649 1.00 14.43 C ATOM 1102 CD1 LEU A 8 30.817 8.810 38.773 1.00 18.63 C ATOM 1103 CD2 LEU A 8 29.209 10.331 37.595 1.00 18.99 C ATOM 1104 N ALA A 9 33.684 10.700 35.553 1.00 20.18 N ATOM 1105 CA ALA A 9 34.087 10.111 34.276 1.00 25.43 C ATOM 1106 C ALA A 9 35.362 9.287 34.442 1.00 18.12 C ATOM 1107 O ALA A 9 35.435 8.140 33.995 1.00 22.67 O ATOM 1108 CB ALA A 9 34.302 11.203 33.239 1.00 18.42 C ATOM 1109 N ARG A 10 36.358 9.871 35.099 1.00 22.76 N ATOM 1110 CA ARG A 10 37.628 9.194 35.328 1.00 18.91 C ATOM 1111 C ARG A 10 37.475 7.974 36.233 1.00 21.35 C ATOM 1112 O ARG A 10 38.152 6.963 36.045 1.00 23.79 O ATOM 1113 CB ARG A 10 38.635 10.173 35.932 1.00 19.61 C ATOM 1114 CG ARG A 10 39.030 11.296 34.978 1.00 22.13 C ATOM 1115 CD ARG A 10 40.249 12.064 35.475 1.00 24.57 C ATOM 1116 NE ARG A 10 39.875 13.219 36.287 1.00 58.22 N ATOM 1117 CZ ARG A 10 39.607 14.423 35.794 1.00 59.06 C ATOM 1118 NH1 ARG A 10 39.673 14.637 34.486 1.00 38.82 N ATOM 1119 NH2 ARG A 10 39.275 15.416 36.609 1.00 62.86 N ATOM 1120 N THR A 11 36.585 8.068 37.215 1.00 23.92 N ATOM 1121 CA THR A 11 36.348 6.958 38.137 1.00 25.12 C ATOM 1122 C THR A 11 35.684 5.794 37.404 1.00 18.19 C ATOM 1123 O THR A 11 36.086 4.640 37.557 1.00 20.54 O ATOM 1124 CB THR A 11 35.440 7.393 39.312 1.00 23.61 C ATOM 1125 OG1 THR A 11 36.104 8.405 40.078 1.00 27.14 O ATOM 1126 CG2 THR A 11 35.129 6.210 40.217 1.00 20.84 C ATOM 1127 N LEU A 12 34.671 6.110 36.603 1.00 21.43 N ATOM 1128 CA LEU A 12 33.944 5.099 35.844 1.00 21.92 C ATOM 1129 C LEU A 12 34.841 4.412 34.820 1.00 29.60 C ATOM 1130 O LEU A 12 34.744 3.205 34.613 1.00 20.43 O ATOM 1131 CB LEU A 12 32.748 5.737 35.138 1.00 15.97 C ATOM 1132 CG LEU A 12 31.567 6.110 36.040 1.00 17.41 C ATOM 1133 CD1 LEU A 12 30.458 6.730 35.203 1.00 18.94 C ATOM 1134 CD2 LEU A 12 31.067 4.870 36.764 1.00 20.39 C ATOM 1135 N LYS A 13 35.711 5.182 34.175 1.00 22.28 N ATOM 1136 CA LYS A 13 36.618 4.612 33.188 1.00 32.69 C ATOM 1137 C LYS A 13 37.579 3.656 33.889 1.00 26.31 C ATOM 1138 O LYS A 13 37.829 2.547 33.415 1.00 23.71 O ATOM 1139 CB LYS A 13 37.404 5.719 32.485 1.00 24.77 C ATOM 1140 CG LYS A 13 38.418 5.204 31.479 1.00 28.79 C ATOM 1141 CD LYS A 13 38.926 6.318 30.586 1.00 45.71 C ATOM 1142 CE LYS A 13 39.755 5.765 29.434 1.00 54.64 C ATOM 1143 NZ LYS A 13 39.102 4.591 28.787 1.00 71.35 N ATOM 1144 N ARG A 14 38.107 4.089 35.029 1.00 24.97 N ATOM 1145 CA ARG A 14 39.034 3.277 35.810 1.00 25.51 C ATOM 1146 C ARG A 14 38.373 1.981 36.281 1.00 28.38 C ATOM 1147 O ARG A 14 39.045 0.964 36.452 1.00 35.25 O ATOM 1148 CB ARG A 14 39.550 4.084 37.009 1.00 23.50 C ATOM 1149 CG ARG A 14 39.886 3.272 38.250 1.00 43.74 C ATOM 1150 CD ARG A 14 40.355 4.180 39.383 1.00 57.46 C ATOM 1151 NE ARG A 14 40.819 5.471 38.878 1.00 79.60 N ATOM 1152 CZ ARG A 14 40.361 6.650 39.289 1.00 86.43 C ATOM 1153 NH1 ARG A 14 39.418 6.714 40.222 1.00 56.62 N ATOM 1154 NH2 ARG A 14 40.837 7.769 38.757 1.00 64.60 N ATOM 1155 N LEU A 15 37.059 2.012 36.483 1.00 22.10 N ATOM 1156 CA LEU A 15 36.338 0.819 36.922 1.00 18.10 C ATOM 1157 C LEU A 15 35.859 -0.033 35.738 1.00 35.35 C ATOM 1158 O LEU A 15 35.073 -0.969 35.904 1.00 31.35 O ATOM 1159 CB LEU A 15 35.158 1.219 37.815 1.00 23.86 C ATOM 1160 CG LEU A 15 35.575 1.801 39.173 1.00 28.26 C ATOM 1161 CD1 LEU A 15 34.346 2.219 39.967 1.00 28.79 C ATOM 1162 CD2 LEU A 15 36.377 0.764 39.946 1.00 24.11 C ATOM 1163 N GLY A 16 36.335 0.313 34.544 1.00 26.21 N ATOM 1164 CA GLY A 16 36.002 -0.436 33.344 1.00 22.24 C ATOM 1165 C GLY A 16 34.612 -0.295 32.757 1.00 35.93 C ATOM 1166 O GLY A 16 34.081 -1.256 32.205 1.00 32.96 O ATOM 1167 N MET A 17 34.023 0.891 32.844 1.00 22.69 N ATOM 1168 CA MET A 17 32.683 1.089 32.309 1.00 16.92 C ATOM 1169 C MET A 17 32.664 1.591 30.865 1.00 22.24 C ATOM 1170 O MET A 17 31.658 1.444 30.171 1.00 23.96 O ATOM 1171 CB MET A 17 31.897 2.062 33.192 1.00 22.52 C ATOM 1172 CG MET A 17 31.448 1.471 34.519 1.00 16.10 C ATOM 1173 SD MET A 17 30.557 -0.088 34.374 1.00 29.87 S ATOM 1174 CE MET A 17 28.937 0.480 33.868 1.00 31.11 C ATOM 1175 N ASP A 18 33.762 2.183 30.408 1.00 18.24 N ATOM 1176 CA ASP A 18 33.800 2.693 29.046 1.00 19.83 C ATOM 1177 C ASP A 18 33.732 1.551 28.042 1.00 19.99 C ATOM 1178 O ASP A 18 34.688 0.796 27.880 1.00 26.56 O ATOM 1179 CB ASP A 18 35.069 3.506 28.811 1.00 22.21 C ATOM 1180 CG ASP A 18 35.019 4.296 27.517 1.00 23.69 C ATOM 1181 OD1 ASP A 18 33.921 4.421 26.931 1.00 20.87 O ATOM 1182 OD2 ASP A 18 36.077 4.796 27.084 1.00 32.69 O ATOM 1183 N GLY A 19 32.593 1.423 27.372 1.00 18.82 N ATOM 1184 CA GLY A 19 32.441 0.366 26.393 1.00 20.88 C ATOM 1185 C GLY A 19 31.890 -0.922 26.968 1.00 28.30 C ATOM 1186 O GLY A 19 31.714 -1.899 26.239 1.00 31.01 O ATOM 1187 N TYR A 20 31.614 -0.937 28.269 1.00 21.28 N ATOM 1188 CA TYR A 20 31.075 -2.136 28.901 1.00 17.95 C ATOM 1189 C TYR A 20 29.775 -2.542 28.210 1.00 30.12 C ATOM 1190 O TYR A 20 28.816 -1.762 28.148 1.00 24.51 O ATOM 1191 CB TYR A 20 30.825 -1.900 30.394 1.00 18.69 C ATOM 1192 CG TYR A 20 30.214 -3.095 31.089 1.00 16.73 C ATOM 1193 CD1 TYR A 20 30.983 -4.217 31.387 1.00 26.70 C ATOM 1194 CD2 TYR A 20 28.858 -3.120 31.412 1.00 23.43 C ATOM 1195 CE1 TYR A 20 30.416 -5.340 31.986 1.00 26.93 C ATOM 1196 CE2 TYR A 20 28.283 -4.235 32.010 1.00 15.40 C ATOM 1197 CZ TYR A 20 29.067 -5.342 32.291 1.00 26.53 C ATOM 1198 OH TYR A 20 28.498 -6.458 32.859 1.00 35.59 O ATOM 1199 N ARG A 21 29.754 -3.768 27.694 1.00 23.72 N ATOM 1200 CA ARG A 21 28.599 -4.299 26.982 1.00 25.32 C ATOM 1201 C ARG A 21 28.232 -3.385 25.815 1.00 20.12 C ATOM 1202 O ARG A 21 27.061 -3.256 25.459 1.00 34.92 O ATOM 1203 CB ARG A 21 27.398 -4.448 27.924 1.00 30.81 C ATOM 1204 CG ARG A 21 27.575 -5.511 29.003 1.00 48.24 C ATOM 1205 CD ARG A 21 27.009 -6.864 28.587 1.00 59.75 C ATOM 1206 NE ARG A 21 25.576 -6.815 28.305 1.00 59.75 N ATOM 1207 CZ ARG A 21 24.744 -7.836 28.485 1.00 49.67 C ATOM 1208 NH1 ARG A 21 25.199 -8.990 28.954 1.00 49.08 N ATOM 1209 NH2 ARG A 21 23.454 -7.704 28.201 1.00 35.85 N ATOM 1210 N GLY A 22 29.238 -2.738 25.236 1.00 17.63 N ATOM 1211 CA GLY A 22 29.001 -1.860 24.104 1.00 16.65 C ATOM 1212 C GLY A 22 28.528 -0.447 24.399 1.00 29.17 C ATOM 1213 O GLY A 22 28.341 0.336 23.467 1.00 27.45 O ATOM 1214 N ILE A 23 28.338 -0.112 25.674 1.00 28.42 N ATOM 1215 CA ILE A 23 27.876 1.225 26.061 1.00 27.29 C ATOM 1216 C ILE A 23 29.034 2.174 26.368 1.00 18.93 C ATOM 1217 O ILE A 23 29.897 1.876 27.188 1.00 21.44 O ATOM 1218 CB ILE A 23 26.949 1.165 27.303 1.00 25.07 C ATOM 1219 CG1 ILE A 23 25.834 0.143 27.075 1.00 33.89 C ATOM 1220 CG2 ILE A 23 26.358 2.547 27.582 1.00 18.58 C ATOM 1221 CD1 ILE A 23 24.898 0.489 25.924 1.00 35.02 C ATOM 1222 N SER A 24 29.034 3.328 25.711 1.00 18.81 N ATOM 1223 CA SER A 24 30.086 4.315 25.901 1.00 19.01 C ATOM 1224 C SER A 24 30.034 4.968 27.279 1.00 19.46 C ATOM 1225 O SER A 24 28.994 4.978 27.940 1.00 19.76 O ATOM 1226 CB SER A 24 29.983 5.394 24.826 1.00 19.99 C ATOM 1227 OG SER A 24 28.849 6.215 25.042 1.00 23.77 O ATOM 1228 N LEU A 25 31.172 5.514 27.695 1.00 19.73 N ATOM 1229 CA LEU A 25 31.308 6.197 28.979 1.00 20.20 C ATOM 1230 C LEU A 25 30.297 7.338 29.099 1.00 30.73 C ATOM 1231 O LEU A 25 29.662 7.514 30.139 1.00 20.14 O ATOM 1232 CB LEU A 25 32.726 6.766 29.104 1.00 23.09 C ATOM 1233 CG LEU A 25 33.479 6.804 30.437 1.00 34.60 C ATOM 1234 CD1 LEU A 25 34.376 8.033 30.445 1.00 19.85 C ATOM 1235 CD2 LEU A 25 32.518 6.828 31.609 1.00 22.61 C ATOM 1236 N ALA A 26 30.157 8.115 28.029 1.00 15.62 N ATOM 1237 CA ALA A 26 29.237 9.249 28.019 1.00 18.31 C ATOM 1238 C ALA A 26 27.791 8.850 28.288 1.00 20.20 C ATOM 1239 O ALA A 26 27.019 9.641 28.824 1.00 17.09 O ATOM 1240 CB ALA A 26 29.333 9.999 26.684 1.00 20.30 C ATOM 1241 N ASN A 27 27.419 7.631 27.912 1.00 17.29 N ATOM 1242 CA ASN A 27 26.056 7.176 28.143 1.00 19.02 C ATOM 1243 C ASN A 27 25.845 6.849 29.612 1.00 21.14 C ATOM 1244 O ASN A 27 24.764 7.076 30.152 1.00 19.02 O ATOM 1245 CB ASN A 27 25.739 5.958 27.281 1.00 24.47 C ATOM 1246 CG ASN A 27 25.163 6.346 25.936 1.00 50.08 C ATOM 1247 OD1 ASN A 27 24.070 6.912 25.853 1.00 38.77 O ATOM 1248 ND2 ASN A 27 25.903 6.061 24.875 1.00 30.19 N ATOM 1249 N TRP A 28 26.876 6.312 30.255 1.00 19.59 N ATOM 1250 CA TRP A 28 26.785 5.999 31.674 1.00 19.14 C ATOM 1251 C TRP A 28 26.749 7.319 32.438 1.00 28.20 C ATOM 1252 O TRP A 28 26.046 7.446 33.442 1.00 20.41 O ATOM 1253 CB TRP A 28 27.986 5.170 32.118 1.00 14.18 C ATOM 1254 CG TRP A 28 27.988 3.813 31.513 1.00 17.27 C ATOM 1255 CD1 TRP A 28 28.952 3.272 30.712 1.00 24.35 C ATOM 1256 CD2 TRP A 28 26.968 2.818 31.644 1.00 19.68 C ATOM 1257 NE1 TRP A 28 28.595 2.001 30.335 1.00 27.30 N ATOM 1258 CE2 TRP A 28 27.382 1.696 30.893 1.00 35.47 C ATOM 1259 CE3 TRP A 28 25.742 2.766 32.323 1.00 22.18 C ATOM 1260 CZ2 TRP A 28 26.614 0.530 30.802 1.00 31.80 C ATOM 1261 CZ3 TRP A 28 24.976 1.605 32.234 1.00 21.89 C ATOM 1262 CH2 TRP A 28 25.418 0.503 31.477 1.00 31.02 C ATOM 1263 N MET A 29 27.504 8.299 31.946 1.00 12.94 N ATOM 1264 CA MET A 29 27.553 9.622 32.556 1.00 14.33 C ATOM 1265 C MET A 29 26.181 10.279 32.460 1.00 25.75 C ATOM 1266 O MET A 29 25.699 10.871 33.422 1.00 18.53 O ATOM 1267 CB MET A 29 28.590 10.504 31.846 1.00 17.58 C ATOM 1268 CG MET A 29 30.038 10.156 32.156 1.00 15.29 C ATOM 1269 SD MET A 29 30.470 10.433 33.888 1.00 21.32 S ATOM 1270 CE MET A 29 30.311 12.210 33.995 1.00 18.22 C ATOM 1271 N CYS A 30 25.549 10.163 31.296 1.00 15.43 N ATOM 1272 CA CYS A 30 24.239 10.758 31.087 1.00 13.09 C ATOM 1273 C CYS A 30 23.208 10.119 32.013 1.00 13.63 C ATOM 1274 O CYS A 30 22.336 10.804 32.551 1.00 17.36 O ATOM 1275 CB CYS A 30 23.816 10.594 29.624 1.00 10.30 C ATOM 1276 SG CYS A 30 22.314 11.512 29.195 1.00 15.82 S ATOM 1277 N LEU A 31 23.314 8.808 32.207 1.00 14.52 N ATOM 1278 CA LEU A 31 22.395 8.094 33.090 1.00 16.20 C ATOM 1279 C LEU A 31 22.535 8.594 34.533 1.00 15.27 C ATOM 1280 O LEU A 31 21.543 8.900 35.192 1.00 14.61 O ATOM 1281 CB LEU A 31 22.668 6.585 33.047 1.00 14.92 C ATOM 1282 CG LEU A 31 21.902 5.731 34.069 1.00 15.08 C ATOM 1283 CD1 LEU A 31 20.457 5.590 33.628 1.00 22.03 C ATOM 1284 CD2 LEU A 31 22.560 4.367 34.212 1.00 16.52 C ATOM 1285 N ALA A 32 23.770 8.674 35.017 1.00 12.05 N ATOM 1286 CA ALA A 32 24.024 9.132 36.379 1.00 19.67 C ATOM 1287 C ALA A 32 23.518 10.559 36.605 1.00 21.05 C ATOM 1288 O ALA A 32 22.935 10.865 37.643 1.00 15.36 O ATOM 1289 CB ALA A 32 25.515 9.049 36.682 1.00 12.78 C ATOM 1290 N LYS A 33 23.738 11.430 35.626 1.00 10.62 N ATOM 1291 CA LYS A 33 23.308 12.820 35.726 1.00 16.39 C ATOM 1292 C LYS A 33 21.798 12.977 35.935 1.00 21.68 C ATOM 1293 O LYS A 33 21.358 13.682 36.845 1.00 18.70 O ATOM 1294 CB LYS A 33 23.741 13.589 34.472 1.00 17.47 C ATOM 1295 CG LYS A 33 23.227 15.017 34.402 1.00 18.75 C ATOM 1296 CD LYS A 33 23.801 15.860 35.524 1.00 21.24 C ATOM 1297 CE LYS A 33 23.863 17.316 35.121 1.00 47.79 C ATOM 1298 NZ LYS A 33 23.681 18.217 36.285 1.00 41.43 N ATOM 1299 N TRP A 34 21.009 12.312 35.099 1.00 16.91 N ATOM 1300 CA TRP A 34 19.556 12.404 35.190 1.00 19.16 C ATOM 1301 C TRP A 34 18.941 11.557 36.298 1.00 13.46 C ATOM 1302 O TRP A 34 17.834 11.834 36.761 1.00 19.85 O ATOM 1303 CB TRP A 34 18.930 12.039 33.839 1.00 20.59 C ATOM 1304 CG TRP A 34 19.131 13.122 32.840 1.00 18.64 C ATOM 1305 CD1 TRP A 34 20.083 13.171 31.863 1.00 17.55 C ATOM 1306 CD2 TRP A 34 18.426 14.365 32.779 1.00 25.23 C ATOM 1307 NE1 TRP A 34 20.016 14.372 31.197 1.00 18.17 N ATOM 1308 CE2 TRP A 34 19.006 15.124 31.740 1.00 23.35 C ATOM 1309 CE3 TRP A 34 17.357 14.911 33.504 1.00 19.61 C ATOM 1310 CZ2 TRP A 34 18.555 16.407 31.406 1.00 23.67 C ATOM 1311 CZ3 TRP A 34 16.907 16.185 33.175 1.00 19.58 C ATOM 1312 CH2 TRP A 34 17.507 16.919 32.133 1.00 21.37 C ATOM 1313 N GLU A 35 19.663 10.535 36.730 1.00 10.95 N ATOM 1314 CA GLU A 35 19.164 9.668 37.783 1.00 13.89 C ATOM 1315 C GLU A 35 19.409 10.235 39.180 1.00 14.90 C ATOM 1316 O GLU A 35 18.574 10.086 40.070 1.00 14.76 O ATOM 1317 CB GLU A 35 19.825 8.290 37.687 1.00 11.93 C ATOM 1318 CG GLU A 35 19.200 7.364 36.657 1.00 15.39 C ATOM 1319 CD GLU A 35 17.692 7.312 36.766 1.00 23.71 C ATOM 1320 OE1 GLU A 35 17.177 7.365 37.898 1.00 23.70 O ATOM 1321 OE2 GLU A 35 17.015 7.218 35.722 1.00 27.24 O ATOM 1322 N SER A 36 20.542 10.904 39.367 1.00 15.38 N ATOM 1323 CA SER A 36 20.884 11.403 40.693 1.00 20.22 C ATOM 1324 C SER A 36 21.599 12.745 40.769 1.00 30.75 C ATOM 1325 O SER A 36 21.795 13.268 41.859 1.00 15.46 O ATOM 1326 CB SER A 36 21.757 10.361 41.389 1.00 10.59 C ATOM 1327 OG SER A 36 23.014 10.264 40.732 1.00 11.17 O ATOM 1328 N GLY A 37 21.997 13.302 39.633 1.00 17.21 N ATOM 1329 CA GLY A 37 22.721 14.559 39.671 1.00 10.91 C ATOM 1330 C GLY A 37 24.139 14.294 40.146 1.00 12.25 C ATOM 1331 O GLY A 37 24.836 15.206 40.594 1.00 18.32 O ATOM 1332 N TYR A 38 24.559 13.033 40.039 1.00 11.01 N ATOM 1333 CA TYR A 38 25.888 12.580 40.459 1.00 11.89 C ATOM 1334 C TYR A 38 25.979 12.477 41.981 1.00 13.04 C ATOM 1335 O TYR A 38 27.074 12.521 42.544 1.00 15.99 O ATOM 1336 CB TYR A 38 26.989 13.532 39.973 1.00 18.17 C ATOM 1337 CG TYR A 38 27.051 13.746 38.471 1.00 23.06 C ATOM 1338 CD1 TYR A 38 26.757 12.715 37.579 1.00 22.17 C ATOM 1339 CD2 TYR A 38 27.429 14.981 37.945 1.00 16.19 C ATOM 1340 CE1 TYR A 38 26.840 12.911 36.195 1.00 17.44 C ATOM 1341 CE2 TYR A 38 27.516 15.187 36.570 1.00 16.46 C ATOM 1342 CZ TYR A 38 27.221 14.148 35.701 1.00 23.20 C ATOM 1343 OH TYR A 38 27.317 14.351 34.342 1.00 21.79 O ATOM 1344 N ASN A 39 24.831 12.341 42.640 1.00 13.15 N ATOM 1345 CA ASN A 39 24.789 12.244 44.099 1.00 12.09 C ATOM 1346 C ASN A 39 24.630 10.799 44.554 1.00 10.94 C ATOM 1347 O ASN A 39 23.637 10.148 44.238 1.00 14.99 O ATOM 1348 CB ASN A 39 23.632 13.087 44.642 1.00 13.05 C ATOM 1349 CG ASN A 39 23.757 13.365 46.131 1.00 18.43 C ATOM 1350 OD1 ASN A 39 24.449 12.646 46.852 1.00 14.15 O ATOM 1351 ND2 ASN A 39 23.085 14.414 46.596 1.00 14.74 N ATOM 1352 N THR A 40 25.611 10.302 45.304 1.00 12.63 N ATOM 1353 CA THR A 40 25.574 8.928 45.795 1.00 9.93 C ATOM 1354 C THR A 40 24.493 8.697 46.850 1.00 11.36 C ATOM 1355 O THR A 40 24.136 7.556 47.134 1.00 13.58 O ATOM 1356 CB THR A 40 26.922 8.516 46.409 1.00 14.13 C ATOM 1357 OG1 THR A 40 27.214 9.360 47.532 1.00 15.69 O ATOM 1358 CG2 THR A 40 28.036 8.642 45.379 1.00 15.14 C ATOM 1359 N ARG A 41 23.966 9.775 47.423 1.00 15.73 N ATOM 1360 CA ARG A 41 22.948 9.648 48.462 1.00 19.14 C ATOM 1361 C ARG A 41 21.514 9.808 47.979 1.00 24.47 C ATOM 1362 O ARG A 41 20.587 9.864 48.785 1.00 18.06 O ATOM 1363 CB ARG A 41 23.223 10.653 49.584 1.00 14.92 C ATOM 1364 CG ARG A 41 24.470 10.322 50.384 1.00 14.37 C ATOM 1365 CD ARG A 41 24.801 11.421 51.373 1.00 15.65 C ATOM 1366 NE ARG A 41 26.100 11.208 52.006 1.00 24.37 N ATOM 1367 CZ ARG A 41 26.486 11.798 53.135 1.00 39.29 C ATOM 1368 NH1 ARG A 41 25.676 12.640 53.761 1.00 25.17 N ATOM 1369 NH2 ARG A 41 27.688 11.549 53.634 1.00 22.56 N ATOM 1370 N ALA A 42 21.327 9.875 46.666 1.00 15.90 N ATOM 1371 CA ALA A 42 19.986 10.021 46.112 1.00 15.55 C ATOM 1372 C ALA A 42 19.124 8.791 46.407 1.00 9.68 C ATOM 1373 O ALA A 42 19.620 7.664 46.464 1.00 12.23 O ATOM 1374 CB ALA A 42 20.066 10.255 44.605 1.00 16.66 C ATOM 1375 N THR A 43 17.833 9.021 46.616 1.00 13.63 N ATOM 1376 CA THR A 43 16.889 7.940 46.880 1.00 14.28 C ATOM 1377 C THR A 43 15.524 8.322 46.320 1.00 11.22 C ATOM 1378 O THR A 43 15.196 9.501 46.200 1.00 13.31 O ATOM 1379 CB THR A 43 16.723 7.648 48.402 1.00 14.94 C ATOM 1380 OG1 THR A 43 16.157 8.789 49.052 1.00 17.40 O ATOM 1381 CG2 THR A 43 18.057 7.315 49.042 1.00 17.70 C ATOM 1382 N ASN A 44 14.739 7.315 45.960 1.00 14.43 N ATOM 1383 CA ASN A 44 13.403 7.539 45.433 1.00 20.40 C ATOM 1384 C ASN A 44 12.518 6.353 45.791 1.00 15.08 C ATOM 1385 O ASN A 44 12.799 5.218 45.417 1.00 17.71 O ATOM 1386 CB ASN A 44 13.442 7.719 43.912 1.00 14.08 C ATOM 1387 CG ASN A 44 12.087 8.099 43.338 1.00 21.97 C ATOM 1388 OD1 ASN A 44 11.578 7.441 42.435 1.00 41.57 O ATOM 1389 ND2 ASN A 44 11.498 9.164 43.865 1.00 15.83 N ATOM 1390 N TYR A 45 11.452 6.631 46.529 1.00 24.32 N ATOM 1391 CA TYR A 45 10.517 5.602 46.953 1.00 16.13 C ATOM 1392 C TYR A 45 9.409 5.422 45.916 1.00 18.57 C ATOM 1393 O TYR A 45 8.857 6.397 45.408 1.00 27.37 O ATOM 1394 CB TYR A 45 9.914 5.983 48.302 1.00 17.76 C ATOM 1395 CG TYR A 45 8.839 5.039 48.777 1.00 19.16 C ATOM 1396 CD1 TYR A 45 9.142 3.717 49.103 1.00 15.69 C ATOM 1397 CD2 TYR A 45 7.519 5.469 48.914 1.00 26.44 C ATOM 1398 CE1 TYR A 45 8.154 2.847 49.557 1.00 25.70 C ATOM 1399 CE2 TYR A 45 6.524 4.606 49.366 1.00 29.06 C ATOM 1400 CZ TYR A 45 6.848 3.299 49.687 1.00 23.55 C ATOM 1401 OH TYR A 45 5.871 2.443 50.141 1.00 32.04 O ATOM 1402 N ASN A 46 9.102 4.168 45.598 1.00 27.71 N ATOM 1403 CA ASN A 46 8.063 3.845 44.627 1.00 22.70 C ATOM 1404 C ASN A 46 6.878 3.237 45.358 1.00 29.88 C ATOM 1405 O ASN A 46 6.900 2.059 45.711 1.00 31.01 O ATOM 1406 CB ASN A 46 8.590 2.847 43.594 1.00 17.84 C ATOM 1407 CG ASN A 46 9.831 3.345 42.886 1.00 38.34 C ATOM 1408 OD1 ASN A 46 9.776 4.298 42.105 1.00 36.77 O ATOM 1409 ND2 ASN A 46 10.963 2.706 43.159 1.00 34.65 N ATOM 1410 N ALA A 47 5.850 4.047 45.589 1.00 31.93 N ATOM 1411 CA ALA A 47 4.656 3.591 46.292 1.00 30.93 C ATOM 1412 C ALA A 47 4.039 2.379 45.603 1.00 38.60 C ATOM 1413 O ALA A 47 3.507 1.482 46.258 1.00 40.93 O ATOM 1414 CB ALA A 47 3.639 4.723 46.373 1.00 36.85 C ATOM 1415 N GLY A 48 4.121 2.360 44.277 1.00 40.58 N ATOM 1416 CA GLY A 48 3.567 1.261 43.508 1.00 28.15 C ATOM 1417 C GLY A 48 3.881 -0.114 44.062 1.00 34.77 C ATOM 1418 O GLY A 48 2.989 -0.809 44.548 1.00 41.22 O ATOM 1419 N ASP A 49 5.148 -0.512 43.994 1.00 35.43 N ATOM 1420 CA ASP A 49 5.551 -1.825 44.486 1.00 32.24 C ATOM 1421 C ASP A 49 6.318 -1.778 45.803 1.00 28.09 C ATOM 1422 O ASP A 49 6.938 -2.762 46.205 1.00 26.04 O ATOM 1423 CB ASP A 49 6.379 -2.555 43.424 1.00 43.14 C ATOM 1424 CG ASP A 49 7.666 -1.834 43.088 1.00 35.70 C ATOM 1425 OD1 ASP A 49 7.842 -0.676 43.526 1.00 31.54 O ATOM 1426 OD2 ASP A 49 8.501 -2.434 42.380 1.00 34.67 O ATOM 1427 N ARG A 50 6.274 -0.632 46.470 1.00 20.46 N ATOM 1428 CA ARG A 50 6.947 -0.468 47.752 1.00 24.80 C ATOM 1429 C ARG A 50 8.450 -0.728 47.720 1.00 26.94 C ATOM 1430 O ARG A 50 9.019 -1.253 48.679 1.00 29.65 O ATOM 1431 CB ARG A 50 6.299 -1.376 48.796 1.00 36.15 C ATOM 1432 CG ARG A 50 5.090 -0.760 49.469 1.00 53.51 C ATOM 1433 CD ARG A 50 3.842 -1.567 49.188 1.00 38.48 C ATOM 1434 NE ARG A 50 3.611 -2.574 50.217 1.00 54.73 N ATOM 1435 CZ ARG A 50 2.502 -3.299 50.314 1.00 82.20 C ATOM 1436 NH1 ARG A 50 1.518 -3.128 49.440 1.00 69.60 N ATOM 1437 NH2 ARG A 50 2.377 -4.195 51.283 1.00 59.10 N ATOM 1438 N SER A 51 9.093 -0.363 46.619 1.00 28.20 N ATOM 1439 CA SER A 51 10.530 -0.543 46.496 1.00 23.17 C ATOM 1440 C SER A 51 11.163 0.843 46.526 1.00 17.41 C ATOM 1441 O SER A 51 10.460 1.854 46.485 1.00 19.00 O ATOM 1442 CB SER A 51 10.869 -1.235 45.178 1.00 18.40 C ATOM 1443 OG SER A 51 10.619 -0.362 44.090 1.00 21.28 O ATOM 1444 N THR A 52 12.486 0.883 46.603 1.00 15.29 N ATOM 1445 CA THR A 52 13.206 2.147 46.629 1.00 13.80 C ATOM 1446 C THR A 52 14.416 2.067 45.702 1.00 13.79 C ATOM 1447 O THR A 52 15.043 1.014 45.581 1.00 17.52 O ATOM 1448 CB THR A 52 13.681 2.485 48.068 1.00 21.09 C ATOM 1449 OG1 THR A 52 12.537 2.668 48.911 1.00 18.20 O ATOM 1450 CG2 THR A 52 14.517 3.763 48.087 1.00 10.58 C ATOM 1451 N ASP A 53 14.718 3.177 45.033 1.00 14.61 N ATOM 1452 CA ASP A 53 15.864 3.263 44.132 1.00 13.71 C ATOM 1453 C ASP A 53 16.978 3.921 44.936 1.00 13.58 C ATOM 1454 O ASP A 53 16.755 4.944 45.588 1.00 15.63 O ATOM 1455 CB ASP A 53 15.520 4.111 42.902 1.00 13.74 C ATOM 1456 CG ASP A 53 14.354 3.543 42.114 1.00 17.05 C ATOM 1457 OD1 ASP A 53 14.247 2.304 42.018 1.00 20.74 O ATOM 1458 OD2 ASP A 53 13.542 4.334 41.592 1.00 25.32 O ATOM 1459 N TYR A 54 18.175 3.342 44.878 1.00 12.37 N ATOM 1460 CA TYR A 54 19.302 3.841 45.659 1.00 12.36 C ATOM 1461 C TYR A 54 20.545 4.274 44.911 1.00 19.40 C ATOM 1462 O TYR A 54 20.957 3.642 43.939 1.00 17.68 O ATOM 1463 CB TYR A 54 19.753 2.776 46.667 1.00 14.04 C ATOM 1464 CG TYR A 54 18.739 2.424 47.722 1.00 15.52 C ATOM 1465 CD1 TYR A 54 17.791 1.422 47.500 1.00 15.86 C ATOM 1466 CD2 TYR A 54 18.731 3.083 48.950 1.00 20.23 C ATOM 1467 CE1 TYR A 54 16.854 1.085 48.481 1.00 16.12 C ATOM 1468 CE2 TYR A 54 17.802 2.757 49.934 1.00 19.49 C ATOM 1469 CZ TYR A 54 16.867 1.759 49.694 1.00 26.77 C ATOM 1470 OH TYR A 54 15.946 1.449 50.667 1.00 21.18 O ATOM 1471 N GLY A 55 21.150 5.353 45.402 1.00 13.86 N ATOM 1472 CA GLY A 55 22.403 5.829 44.853 1.00 10.56 C ATOM 1473 C GLY A 55 22.490 6.592 43.551 1.00 14.08 C ATOM 1474 O GLY A 55 21.492 6.989 42.949 1.00 12.00 O ATOM 1475 N ILE A 56 23.738 6.782 43.137 1.00 14.20 N ATOM 1476 CA ILE A 56 24.095 7.518 41.936 1.00 16.29 C ATOM 1477 C ILE A 56 23.441 6.986 40.657 1.00 14.32 C ATOM 1478 O ILE A 56 23.196 7.754 39.723 1.00 15.87 O ATOM 1479 CB ILE A 56 25.644 7.552 41.790 1.00 16.99 C ATOM 1480 CG1 ILE A 56 26.071 8.707 40.886 1.00 20.62 C ATOM 1481 CG2 ILE A 56 26.155 6.217 41.270 1.00 22.12 C ATOM 1482 CD1 ILE A 56 27.528 9.109 41.077 1.00 21.90 C ATOM 1483 N PHE A 57 23.145 5.688 40.620 1.00 12.93 N ATOM 1484 CA PHE A 57 22.515 5.082 39.443 1.00 16.11 C ATOM 1485 C PHE A 57 21.053 4.732 39.679 1.00 32.12 C ATOM 1486 O PHE A 57 20.366 4.267 38.765 1.00 17.01 O ATOM 1487 CB PHE A 57 23.254 3.810 39.028 1.00 13.68 C ATOM 1488 CG PHE A 57 24.681 4.037 38.635 1.00 15.38 C ATOM 1489 CD1 PHE A 57 25.001 4.886 37.581 1.00 18.35 C ATOM 1490 CD2 PHE A 57 25.711 3.397 39.321 1.00 19.84 C ATOM 1491 CE1 PHE A 57 26.330 5.095 37.213 1.00 27.25 C ATOM 1492 CE2 PHE A 57 27.042 3.599 38.964 1.00 31.16 C ATOM 1493 CZ PHE A 57 27.353 4.450 37.908 1.00 23.05 C ATOM 1494 N GLN A 58 20.583 4.949 40.905 1.00 13.70 N ATOM 1495 CA GLN A 58 19.201 4.649 41.269 1.00 7.46 C ATOM 1496 C GLN A 58 18.835 3.184 40.997 1.00 16.34 C ATOM 1497 O GLN A 58 17.947 2.881 40.199 1.00 14.32 O ATOM 1498 CB GLN A 58 18.253 5.587 40.522 1.00 12.07 C ATOM 1499 CG GLN A 58 18.304 7.019 41.027 1.00 14.45 C ATOM 1500 CD GLN A 58 17.712 7.163 42.420 1.00 18.91 C ATOM 1501 OE1 GLN A 58 16.509 7.371 42.579 1.00 15.19 O ATOM 1502 NE2 GLN A 58 18.559 7.049 43.437 1.00 14.51 N ATOM 1503 N ILE A 59 19.534 2.282 41.681 1.00 15.45 N ATOM 1504 CA ILE A 59 19.309 0.844 41.549 1.00 17.25 C ATOM 1505 C ILE A 59 18.185 0.420 42.500 1.00 21.08 C ATOM 1506 O ILE A 59 18.200 0.745 43.690 1.00 17.24 O ATOM 1507 CB ILE A 59 20.618 0.064 41.850 1.00 22.51 C ATOM 1508 CG1 ILE A 59 21.616 0.279 40.701 1.00 18.05 C ATOM 1509 CG2 ILE A 59 20.328 -1.419 42.023 1.00 16.36 C ATOM 1510 CD1 ILE A 59 23.064 0.026 41.069 1.00 16.77 C ATOM 1511 N ASN A 60 17.212 -0.305 41.953 1.00 21.70 N ATOM 1512 CA ASN A 60 16.028 -0.755 42.684 1.00 15.16 C ATOM 1513 C ASN A 60 16.197 -1.885 43.708 1.00 25.42 C ATOM 1514 O ASN A 60 16.912 -2.867 43.477 1.00 18.45 O ATOM 1515 CB ASN A 60 14.946 -1.134 41.672 1.00 19.97 C ATOM 1516 CG ASN A 60 13.572 -1.239 42.294 1.00 24.22 C ATOM 1517 OD1 ASN A 60 13.079 -2.339 42.542 1.00 28.19 O ATOM 1518 ND2 ASN A 60 12.943 -0.095 42.544 1.00 21.29 N ATOM 1519 N SER A 61 15.493 -1.739 44.831 1.00 19.11 N ATOM 1520 CA SER A 61 15.530 -2.696 45.937 1.00 14.38 C ATOM 1521 C SER A 61 14.675 -3.951 45.756 1.00 16.78 C ATOM 1522 O SER A 61 14.707 -4.853 46.594 1.00 21.90 O ATOM 1523 CB SER A 61 15.107 -1.998 47.231 1.00 16.68 C ATOM 1524 OG SER A 61 13.735 -1.649 47.187 1.00 19.13 O ATOM 1525 N ARG A 62 13.905 -4.016 44.678 1.00 20.32 N ATOM 1526 CA ARG A 62 13.073 -5.188 44.442 1.00 25.96 C ATOM 1527 C ARG A 62 13.868 -6.349 43.831 1.00 28.09 C ATOM 1528 O ARG A 62 13.703 -7.495 44.246 1.00 27.72 O ATOM 1529 CB ARG A 62 11.897 -4.828 43.529 1.00 22.78 C ATOM 1530 CG ARG A 62 11.386 -5.988 42.691 1.00 42.96 C ATOM 1531 CD ARG A 62 9.954 -6.323 43.031 1.00 48.44 C ATOM 1532 NE ARG A 62 9.610 -5.878 44.377 1.00100.00 N ATOM 1533 CZ ARG A 62 8.428 -5.379 44.720 1.00 88.78 C ATOM 1534 NH1 ARG A 62 7.469 -5.260 43.810 1.00 95.35 N ATOM 1535 NH2 ARG A 62 8.206 -4.995 45.970 1.00 51.30 N ATOM 1536 N TYR A 63 14.734 -6.057 42.860 1.00 25.23 N ATOM 1537 CA TYR A 63 15.515 -7.110 42.200 1.00 24.13 C ATOM 1538 C TYR A 63 17.020 -7.102 42.426 1.00 23.37 C ATOM 1539 O TYR A 63 17.661 -8.144 42.311 1.00 23.81 O ATOM 1540 CB TYR A 63 15.304 -7.076 40.680 1.00 24.95 C ATOM 1541 CG TYR A 63 13.908 -6.741 40.229 1.00 50.58 C ATOM 1542 CD1 TYR A 63 12.955 -7.744 40.049 1.00 40.53 C ATOM 1543 CD2 TYR A 63 13.541 -5.424 39.960 1.00 53.68 C ATOM 1544 CE1 TYR A 63 11.669 -7.443 39.610 1.00 36.45 C ATOM 1545 CE2 TYR A 63 12.259 -5.111 39.520 1.00 48.70 C ATOM 1546 CZ TYR A 63 11.328 -6.125 39.349 1.00 60.34 C ATOM 1547 OH TYR A 63 10.058 -5.821 38.921 1.00 94.16 O ATOM 1548 N TRP A 64 17.586 -5.945 42.752 1.00 21.23 N ATOM 1549 CA TRP A 64 19.032 -5.850 42.895 1.00 19.54 C ATOM 1550 C TRP A 64 19.687 -5.800 44.272 1.00 22.98 C ATOM 1551 O TRP A 64 20.618 -6.557 44.527 1.00 29.24 O ATOM 1552 CB TRP A 64 19.516 -4.687 42.033 1.00 18.52 C ATOM 1553 CG TRP A 64 18.876 -4.735 40.676 1.00 26.05 C ATOM 1554 CD1 TRP A 64 17.929 -3.886 40.181 1.00 22.69 C ATOM 1555 CD2 TRP A 64 19.099 -5.723 39.661 1.00 23.30 C ATOM 1556 NE1 TRP A 64 17.546 -4.283 38.922 1.00 21.80 N ATOM 1557 CE2 TRP A 64 18.248 -5.410 38.579 1.00 23.33 C ATOM 1558 CE3 TRP A 64 19.934 -6.846 39.564 1.00 24.55 C ATOM 1559 CZ2 TRP A 64 18.211 -6.178 37.405 1.00 25.99 C ATOM 1560 CZ3 TRP A 64 19.896 -7.611 38.397 1.00 30.54 C ATOM 1561 CH2 TRP A 64 19.037 -7.271 37.335 1.00 20.03 C ATOM 1562 N CYS A 65 19.247 -4.918 45.158 1.00 20.88 N ATOM 1563 CA CYS A 65 19.870 -4.883 46.475 1.00 15.13 C ATOM 1564 C CYS A 65 18.834 -5.123 47.548 1.00 13.08 C ATOM 1565 O CYS A 65 17.641 -4.934 47.324 1.00 18.61 O ATOM 1566 CB CYS A 65 20.581 -3.547 46.716 1.00 12.76 C ATOM 1567 SG CYS A 65 19.495 -2.091 46.653 1.00 18.74 S ATOM 1568 N ASN A 66 19.291 -5.556 48.714 1.00 16.36 N ATOM 1569 CA ASN A 66 18.385 -5.823 49.819 1.00 29.16 C ATOM 1570 C ASN A 66 18.339 -4.661 50.803 1.00 17.24 C ATOM 1571 O ASN A 66 19.364 -4.277 51.362 1.00 20.89 O ATOM 1572 CB ASN A 66 18.819 -7.087 50.556 1.00 23.07 C ATOM 1573 CG ASN A 66 17.948 -7.383 51.760 1.00 24.05 C ATOM 1574 OD1 ASN A 66 16.738 -7.161 51.733 1.00 28.61 O ATOM 1575 ND2 ASN A 66 18.561 -7.885 52.825 1.00 51.46 N ATOM 1576 N ASP A 67 17.153 -4.090 51.007 1.00 21.10 N ATOM 1577 CA ASP A 67 17.019 -2.999 51.963 1.00 23.00 C ATOM 1578 C ASP A 67 16.163 -3.445 53.149 1.00 31.08 C ATOM 1579 O ASP A 67 15.792 -2.644 54.008 1.00 27.12 O ATOM 1580 CB ASP A 67 16.458 -1.730 51.290 1.00 21.04 C ATOM 1581 CG ASP A 67 14.970 -1.806 50.989 1.00 20.42 C ATOM 1582 OD1 ASP A 67 14.342 -2.869 51.191 1.00 23.41 O ATOM 1583 OD2 ASP A 67 14.429 -0.774 50.539 1.00 21.00 O ATOM 1584 N GLY A 68 15.866 -4.742 53.180 1.00 25.28 N ATOM 1585 CA GLY A 68 15.099 -5.328 54.266 1.00 31.72 C ATOM 1586 C GLY A 68 13.645 -4.940 54.441 1.00 27.75 C ATOM 1587 O GLY A 68 12.989 -5.427 55.361 1.00 36.75 O ATOM 1588 N LYS A 69 13.124 -4.072 53.582 1.00 26.74 N ATOM 1589 CA LYS A 69 11.730 -3.674 53.714 1.00 24.03 C ATOM 1590 C LYS A 69 10.962 -3.684 52.400 1.00 28.55 C ATOM 1591 O LYS A 69 9.886 -3.091 52.303 1.00 29.88 O ATOM 1592 CB LYS A 69 11.628 -2.290 54.365 1.00 34.99 C ATOM 1593 CG LYS A 69 12.586 -1.255 53.818 1.00 25.80 C ATOM 1594 CD LYS A 69 12.391 0.076 54.523 1.00 23.47 C ATOM 1595 CE LYS A 69 13.099 1.200 53.796 1.00 35.99 C ATOM 1596 NZ LYS A 69 12.309 2.463 53.839 1.00 50.34 N ATOM 1597 N THR A 70 11.508 -4.358 51.390 1.00 28.38 N ATOM 1598 CA THR A 70 10.841 -4.444 50.096 1.00 33.39 C ATOM 1599 C THR A 70 10.281 -5.849 49.910 1.00 22.34 C ATOM 1600 O THR A 70 11.007 -6.840 50.002 1.00 27.17 O ATOM 1601 CB THR A 70 11.804 -4.125 48.927 1.00 24.15 C ATOM 1602 OG1 THR A 70 12.425 -2.851 49.148 1.00 21.30 O ATOM 1603 CG2 THR A 70 11.039 -4.082 47.612 1.00 19.63 C ATOM 1604 N PRO A 71 8.969 -5.951 49.656 1.00 28.06 N ATOM 1605 CA PRO A 71 8.328 -7.253 49.463 1.00 41.31 C ATOM 1606 C PRO A 71 8.826 -7.969 48.215 1.00 29.70 C ATOM 1607 O PRO A 71 8.972 -7.357 47.159 1.00 46.81 O ATOM 1608 CB PRO A 71 6.840 -6.914 49.373 1.00 38.64 C ATOM 1609 CG PRO A 71 6.801 -5.492 48.931 1.00 43.18 C ATOM 1610 CD PRO A 71 8.008 -4.839 49.541 1.00 30.78 C ATOM 1611 N GLY A 72 9.092 -9.264 48.349 1.00 39.39 N ATOM 1612 CA GLY A 72 9.559 -10.053 47.221 1.00 39.50 C ATOM 1613 C GLY A 72 10.939 -9.707 46.691 1.00 49.99 C ATOM 1614 O GLY A 72 11.236 -9.963 45.523 1.00 48.66 O ATOM 1615 N ALA A 73 11.785 -9.130 47.540 1.00 48.29 N ATOM 1616 CA ALA A 73 13.136 -8.758 47.134 1.00 35.24 C ATOM 1617 C ALA A 73 13.910 -9.979 46.633 1.00 32.87 C ATOM 1618 O ALA A 73 13.768 -11.074 47.167 1.00 33.94 O ATOM 1619 CB ALA A 73 13.871 -8.114 48.306 1.00 26.86 C ATOM 1620 N VAL A 74 14.731 -9.782 45.606 1.00 47.67 N ATOM 1621 CA VAL A 74 15.520 -10.869 45.033 1.00 39.44 C ATOM 1622 C VAL A 74 17.004 -10.757 45.386 1.00 38.49 C ATOM 1623 O VAL A 74 17.691 -11.767 45.535 1.00 38.48 O ATOM 1624 CB VAL A 74 15.388 -10.898 43.497 1.00 37.44 C ATOM 1625 CG1 VAL A 74 16.088 -12.125 42.942 1.00 39.20 C ATOM 1626 CG2 VAL A 74 13.923 -10.887 43.099 1.00 46.54 C ATOM 1627 N ASN A 75 17.491 -9.525 45.512 1.00 30.07 N ATOM 1628 CA ASN A 75 18.890 -9.271 45.848 1.00 31.64 C ATOM 1629 C ASN A 75 19.844 -9.939 44.859 1.00 28.86 C ATOM 1630 O ASN A 75 20.741 -10.688 45.258 1.00 29.56 O ATOM 1631 CB ASN A 75 19.189 -9.766 47.270 1.00 28.84 C ATOM 1632 CG ASN A 75 20.447 -9.139 47.859 1.00 26.84 C ATOM 1633 OD1 ASN A 75 21.018 -8.205 47.292 1.00 26.37 O ATOM 1634 ND2 ASN A 75 20.882 -9.653 49.003 1.00 40.07 N ATOM 1635 N ALA A 76 19.653 -9.655 43.572 1.00 27.80 N ATOM 1636 CA ALA A 76 20.489 -10.229 42.519 1.00 23.80 C ATOM 1637 C ALA A 76 21.944 -9.778 42.618 1.00 31.59 C ATOM 1638 O ALA A 76 22.842 -10.454 42.125 1.00 33.44 O ATOM 1639 CB ALA A 76 19.923 -9.867 41.149 1.00 26.97 C ATOM 1640 N CYS A 77 22.174 -8.636 43.260 1.00 23.51 N ATOM 1641 CA CYS A 77 23.526 -8.105 43.417 1.00 19.69 C ATOM 1642 C CYS A 77 24.196 -8.581 44.701 1.00 19.18 C ATOM 1643 O CYS A 77 25.389 -8.346 44.909 1.00 22.63 O ATOM 1644 CB CYS A 77 23.497 -6.575 43.408 1.00 22.52 C ATOM 1645 SG CYS A 77 23.313 -5.841 41.753 1.00 25.14 S ATOM 1646 N HIS A 78 23.428 -9.240 45.564 1.00 24.14 N ATOM 1647 CA HIS A 78 23.959 -9.734 46.830 1.00 30.45 C ATOM 1648 C HIS A 78 24.636 -8.591 47.570 1.00 30.16 C ATOM 1649 O HIS A 78 25.769 -8.707 48.037 1.00 26.82 O ATOM 1650 CB HIS A 78 24.956 -10.865 46.573 1.00 26.18 C ATOM 1651 CG HIS A 78 24.373 -12.004 45.799 1.00 41.69 C ATOM 1652 ND1 HIS A 78 24.736 -12.287 44.500 1.00 52.20 N ATOM 1653 CD2 HIS A 78 23.423 -12.913 46.130 1.00 58.56 C ATOM 1654 CE1 HIS A 78 24.034 -13.318 44.063 1.00 42.46 C ATOM 1655 NE2 HIS A 78 23.231 -13.715 45.034 1.00 72.80 N ATOM 1656 N LEU A 79 23.916 -7.480 47.664 1.00 28.41 N ATOM 1657 CA LEU A 79 24.414 -6.286 48.323 1.00 24.97 C ATOM 1658 C LEU A 79 23.304 -5.669 49.147 1.00 16.91 C ATOM 1659 O LEU A 79 22.121 -5.817 48.837 1.00 21.04 O ATOM 1660 CB LEU A 79 24.852 -5.251 47.283 1.00 30.34 C ATOM 1661 CG LEU A 79 26.309 -5.098 46.858 1.00 37.02 C ATOM 1662 CD1 LEU A 79 26.408 -3.892 45.934 1.00 34.06 C ATOM 1663 CD2 LEU A 79 27.210 -4.925 48.069 1.00 34.88 C ATOM 1664 N SER A 80 23.696 -4.974 50.203 1.00 28.28 N ATOM 1665 CA SER A 80 22.737 -4.274 51.033 1.00 25.56 C ATOM 1666 C SER A 80 22.575 -2.951 50.284 1.00 18.22 C ATOM 1667 O SER A 80 23.558 -2.382 49.808 1.00 18.34 O ATOM 1668 CB SER A 80 23.320 -4.036 52.428 1.00 21.53 C ATOM 1669 OG SER A 80 22.717 -2.914 53.045 1.00 46.21 O ATOM 1670 N CYS A 81 21.345 -2.472 50.146 1.00 18.62 N ATOM 1671 CA CYS A 81 21.125 -1.220 49.439 1.00 15.28 C ATOM 1672 C CYS A 81 21.930 -0.083 50.057 1.00 19.24 C ATOM 1673 O CYS A 81 22.247 0.894 49.381 1.00 15.28 O ATOM 1674 CB CYS A 81 19.643 -0.870 49.436 1.00 13.82 C ATOM 1675 SG CYS A 81 18.627 -2.045 48.488 1.00 19.88 S ATOM 1676 N SER A 82 22.270 -0.217 51.338 1.00 18.59 N ATOM 1677 CA SER A 82 23.047 0.811 52.032 1.00 18.38 C ATOM 1678 C SER A 82 24.454 0.934 51.445 1.00 14.18 C ATOM 1679 O SER A 82 25.097 1.977 51.563 1.00 16.43 O ATOM 1680 CB SER A 82 23.131 0.498 53.530 1.00 15.62 C ATOM 1681 OG SER A 82 23.958 -0.624 53.773 1.00 24.47 O ATOM 1682 N ALA A 83 24.929 -0.133 50.807 1.00 17.25 N ATOM 1683 CA ALA A 83 26.251 -0.116 50.190 1.00 22.00 C ATOM 1684 C ALA A 83 26.229 0.766 48.939 1.00 18.42 C ATOM 1685 O ALA A 83 27.279 1.154 48.420 1.00 19.03 O ATOM 1686 CB ALA A 83 26.677 -1.532 49.821 1.00 15.69 C ATOM 1687 N LEU A 84 25.023 1.083 48.471 1.00 15.62 N ATOM 1688 CA LEU A 84 24.840 1.907 47.280 1.00 20.91 C ATOM 1689 C LEU A 84 24.618 3.387 47.602 1.00 19.64 C ATOM 1690 O LEU A 84 24.207 4.164 46.742 1.00 19.29 O ATOM 1691 CB LEU A 84 23.661 1.372 46.457 1.00 15.70 C ATOM 1692 CG LEU A 84 23.776 -0.094 46.028 1.00 19.93 C ATOM 1693 CD1 LEU A 84 22.553 -0.490 45.225 1.00 24.29 C ATOM 1694 CD2 LEU A 84 25.043 -0.286 45.215 1.00 18.26 C ATOM 1695 N LEU A 85 24.882 3.778 48.843 1.00 16.83 N ATOM 1696 CA LEU A 85 24.726 5.174 49.239 1.00 17.05 C ATOM 1697 C LEU A 85 26.057 5.703 49.761 1.00 17.71 C ATOM 1698 O LEU A 85 26.126 6.789 50.334 1.00 21.76 O ATOM 1699 CB LEU A 85 23.655 5.304 50.327 1.00 15.13 C ATOM 1700 CG LEU A 85 22.218 5.014 49.891 1.00 18.88 C ATOM 1701 CD1 LEU A 85 21.328 4.948 51.117 1.00 17.46 C ATOM 1702 CD2 LEU A 85 21.731 6.096 48.934 1.00 18.61 C ATOM 1703 N GLN A 86 27.114 4.926 49.543 1.00 18.78 N ATOM 1704 CA GLN A 86 28.448 5.288 50.007 1.00 14.29 C ATOM 1705 C GLN A 86 29.209 6.167 49.026 1.00 19.57 C ATOM 1706 O GLN A 86 28.908 6.196 47.831 1.00 18.44 O ATOM 1707 CB GLN A 86 29.253 4.020 50.298 1.00 18.70 C ATOM 1708 CG GLN A 86 28.544 3.053 51.238 1.00 15.74 C ATOM 1709 CD GLN A 86 28.243 3.674 52.594 1.00 17.98 C ATOM 1710 OE1 GLN A 86 27.236 3.357 53.233 1.00 23.99 O ATOM 1711 NE2 GLN A 86 29.118 4.563 53.039 1.00 12.27 N ATOM 1712 N ASP A 87 30.200 6.884 49.546 1.00 17.36 N ATOM 1713 CA ASP A 87 31.025 7.771 48.735 1.00 21.04 C ATOM 1714 C ASP A 87 31.836 6.970 47.726 1.00 18.02 C ATOM 1715 O ASP A 87 32.113 7.440 46.626 1.00 22.79 O ATOM 1716 CB ASP A 87 31.977 8.573 49.624 1.00 20.36 C ATOM 1717 CG ASP A 87 31.255 9.594 50.483 1.00 24.51 C ATOM 1718 OD1 ASP A 87 30.024 9.751 50.336 1.00 20.36 O ATOM 1719 OD2 ASP A 87 31.929 10.240 51.311 1.00 34.26 O ATOM 1720 N ASN A 88 32.231 5.765 48.123 1.00 16.16 N ATOM 1721 CA ASN A 88 32.992 4.880 47.255 1.00 16.95 C ATOM 1722 C ASN A 88 31.968 4.133 46.398 1.00 14.55 C ATOM 1723 O ASN A 88 31.190 3.332 46.913 1.00 18.83 O ATOM 1724 CB ASN A 88 33.797 3.904 48.108 1.00 16.47 C ATOM 1725 CG ASN A 88 34.828 3.153 47.307 1.00 30.99 C ATOM 1726 OD1 ASN A 88 36.021 3.226 47.592 1.00 38.14 O ATOM 1727 ND2 ASN A 88 34.377 2.425 46.296 1.00 23.93 N ATOM 1728 N ILE A 89 31.968 4.393 45.094 1.00 16.32 N ATOM 1729 CA ILE A 89 30.990 3.763 44.211 1.00 14.61 C ATOM 1730 C ILE A 89 31.399 2.436 43.586 1.00 25.36 C ATOM 1731 O ILE A 89 30.783 1.989 42.614 1.00 23.13 O ATOM 1732 CB ILE A 89 30.558 4.732 43.081 1.00 21.14 C ATOM 1733 CG1 ILE A 89 31.734 5.015 42.147 1.00 18.82 C ATOM 1734 CG2 ILE A 89 30.036 6.027 43.685 1.00 18.55 C ATOM 1735 CD1 ILE A 89 31.342 5.758 40.891 1.00 27.92 C ATOM 1736 N ALA A 90 32.422 1.797 44.146 1.00 19.17 N ATOM 1737 CA ALA A 90 32.886 0.520 43.621 1.00 15.34 C ATOM 1738 C ALA A 90 31.787 -0.540 43.655 1.00 19.71 C ATOM 1739 O ALA A 90 31.580 -1.252 42.674 1.00 21.20 O ATOM 1740 CB ALA A 90 34.096 0.044 44.403 1.00 19.74 C ATOM 1741 N ASP A 91 31.082 -0.646 44.779 1.00 19.06 N ATOM 1742 CA ASP A 91 30.005 -1.628 44.904 1.00 16.03 C ATOM 1743 C ASP A 91 28.849 -1.286 43.979 1.00 17.76 C ATOM 1744 O ASP A 91 28.201 -2.177 43.427 1.00 19.58 O ATOM 1745 CB ASP A 91 29.489 -1.693 46.343 1.00 18.41 C ATOM 1746 CG ASP A 91 30.464 -2.370 47.284 1.00 31.52 C ATOM 1747 OD1 ASP A 91 31.315 -3.151 46.810 1.00 26.16 O ATOM 1748 OD2 ASP A 91 30.381 -2.122 48.503 1.00 34.79 O ATOM 1749 N ALA A 92 28.584 0.007 43.819 1.00 15.33 N ATOM 1750 CA ALA A 92 27.502 0.459 42.955 1.00 15.91 C ATOM 1751 C ALA A 92 27.792 0.103 41.497 1.00 19.38 C ATOM 1752 O ALA A 92 26.895 -0.306 40.762 1.00 19.26 O ATOM 1753 CB ALA A 92 27.311 1.965 43.100 1.00 13.56 C ATOM 1754 N VAL A 93 29.045 0.254 41.082 1.00 17.47 N ATOM 1755 CA VAL A 93 29.422 -0.058 39.709 1.00 23.50 C ATOM 1756 C VAL A 93 29.354 -1.565 39.455 1.00 31.26 C ATOM 1757 O VAL A 93 28.947 -2.002 38.378 1.00 20.71 O ATOM 1758 CB VAL A 93 30.840 0.473 39.389 1.00 21.05 C ATOM 1759 CG1 VAL A 93 31.391 -0.191 38.126 1.00 24.12 C ATOM 1760 CG2 VAL A 93 30.785 1.981 39.202 1.00 17.97 C ATOM 1761 N ALA A 94 29.741 -2.355 40.451 1.00 15.93 N ATOM 1762 CA ALA A 94 29.707 -3.806 40.325 1.00 17.74 C ATOM 1763 C ALA A 94 28.266 -4.285 40.159 1.00 23.53 C ATOM 1764 O ALA A 94 27.994 -5.208 39.395 1.00 26.12 O ATOM 1765 CB ALA A 94 30.337 -4.452 41.556 1.00 13.56 C ATOM 1766 N CYS A 95 27.343 -3.653 40.873 1.00 20.19 N ATOM 1767 CA CYS A 95 25.935 -4.028 40.792 1.00 21.16 C ATOM 1768 C CYS A 95 25.341 -3.560 39.462 1.00 17.21 C ATOM 1769 O CYS A 95 24.493 -4.231 38.876 1.00 21.04 O ATOM 1770 CB CYS A 95 25.166 -3.416 41.970 1.00 15.11 C ATOM 1771 SG CYS A 95 23.398 -3.839 42.080 1.00 22.51 S ATOM 1772 N LEU A 96 25.801 -2.408 38.989 1.00 18.34 N ATOM 1773 CA LEU A 96 25.331 -1.849 37.727 1.00 27.62 C ATOM 1774 C LEU A 96 25.658 -2.774 36.550 1.00 26.38 C ATOM 1775 O LEU A 96 24.855 -2.937 35.633 1.00 22.90 O ATOM 1776 CB LEU A 96 25.980 -0.487 37.495 1.00 15.93 C ATOM 1777 CG LEU A 96 25.580 0.223 36.206 1.00 19.57 C ATOM 1778 CD1 LEU A 96 24.096 0.568 36.249 1.00 18.33 C ATOM 1779 CD2 LEU A 96 26.428 1.467 36.040 1.00 16.88 C ATOM 1780 N LYS A 97 26.847 -3.368 36.581 1.00 20.49 N ATOM 1781 CA LYS A 97 27.283 -4.271 35.526 1.00 19.48 C ATOM 1782 C LYS A 97 26.373 -5.487 35.451 1.00 22.12 C ATOM 1783 O LYS A 97 26.134 -6.035 34.376 1.00 27.62 O ATOM 1784 CB LYS A 97 28.725 -4.702 35.776 1.00 18.11 C ATOM 1785 CG LYS A 97 29.726 -3.604 35.478 1.00 19.46 C ATOM 1786 CD LYS A 97 31.127 -3.997 35.884 1.00 20.95 C ATOM 1787 CE LYS A 97 32.149 -3.049 35.278 1.00 35.54 C ATOM 1788 NZ LYS A 97 33.495 -3.218 35.895 1.00 25.85 N ATOM 1789 N ARG A 98 25.860 -5.906 36.600 1.00 20.88 N ATOM 1790 CA ARG A 98 24.957 -7.047 36.650 1.00 21.01 C ATOM 1791 C ARG A 98 23.564 -6.626 36.181 1.00 22.30 C ATOM 1792 O ARG A 98 22.904 -7.349 35.438 1.00 25.59 O ATOM 1793 CB ARG A 98 24.892 -7.603 38.077 1.00 22.39 C ATOM 1794 CG ARG A 98 23.684 -8.492 38.360 1.00 35.62 C ATOM 1795 CD ARG A 98 23.785 -9.835 37.646 1.00 54.54 C ATOM 1796 NE ARG A 98 22.584 -10.646 37.835 1.00 72.84 N ATOM 1797 CZ ARG A 98 21.538 -10.642 37.013 1.00 49.35 C ATOM 1798 NH1 ARG A 98 21.541 -9.867 35.936 1.00 30.61 N ATOM 1799 NH2 ARG A 98 20.486 -11.413 37.264 1.00 44.55 N ATOM 1800 N VAL A 99 23.126 -5.447 36.608 1.00 17.30 N ATOM 1801 CA VAL A 99 21.812 -4.938 36.236 1.00 22.28 C ATOM 1802 C VAL A 99 21.645 -4.847 34.722 1.00 27.98 C ATOM 1803 O VAL A 99 20.603 -5.220 34.182 1.00 25.53 O ATOM 1804 CB VAL A 99 21.564 -3.529 36.836 1.00 22.88 C ATOM 1805 CG1 VAL A 99 20.248 -2.964 36.321 1.00 23.10 C ATOM 1806 CG2 VAL A 99 21.553 -3.601 38.355 1.00 19.33 C ATOM 1807 N VAL A 100 22.675 -4.356 34.041 1.00 24.98 N ATOM 1808 CA VAL A 100 22.615 -4.192 32.595 1.00 29.56 C ATOM 1809 C VAL A 100 22.835 -5.477 31.810 1.00 34.94 C ATOM 1810 O VAL A 100 22.645 -5.499 30.596 1.00 35.40 O ATOM 1811 CB VAL A 100 23.627 -3.132 32.113 1.00 23.16 C ATOM 1812 CG1 VAL A 100 23.201 -1.758 32.609 1.00 24.56 C ATOM 1813 CG2 VAL A 100 25.024 -3.472 32.604 1.00 28.64 C ATOM 1814 N ARG A 101 23.233 -6.544 32.497 1.00 40.74 N ATOM 1815 CA ARG A 101 23.456 -7.828 31.838 1.00 36.83 C ATOM 1816 C ARG A 101 22.117 -8.429 31.422 1.00 31.97 C ATOM 1817 O ARG A 101 22.063 -9.459 30.749 1.00 47.35 O ATOM 1818 CB ARG A 101 24.194 -8.792 32.770 1.00 25.27 C ATOM 1819 CG ARG A 101 25.531 -9.264 32.218 1.00 45.58 C ATOM 1820 CD ARG A 101 26.217 -10.239 33.161 1.00 45.22 C ATOM 1821 NE ARG A 101 27.282 -9.592 33.921 1.00 80.89 N ATOM 1822 CZ ARG A 101 27.470 -9.748 35.228 1.00 75.92 C ATOM 1823 NH1 ARG A 101 26.661 -10.533 35.927 1.00 73.08 N ATOM 1824 NH2 ARG A 101 28.459 -9.110 35.839 1.00 64.58 N ATOM 1825 N ASP A 102 21.035 -7.774 31.832 1.00 40.79 N ATOM 1826 CA ASP A 102 19.690 -8.217 31.497 1.00 33.46 C ATOM 1827 C ASP A 102 19.359 -7.791 30.067 1.00 55.95 C ATOM 1828 O ASP A 102 20.002 -6.899 29.516 1.00 53.71 O ATOM 1829 CB ASP A 102 18.681 -7.608 32.470 1.00 36.68 C ATOM 1830 CG ASP A 102 18.365 -8.529 33.635 1.00 71.01 C ATOM 1831 OD1 ASP A 102 19.162 -9.456 33.897 1.00 60.49 O ATOM 1832 OD2 ASP A 102 17.318 -8.325 34.287 1.00 57.92 O ATOM 1833 N PRO A 103 18.352 -8.431 29.449 1.00 80.82 N ATOM 1834 CA PRO A 103 17.925 -8.129 28.075 1.00 70.20 C ATOM 1835 C PRO A 103 17.697 -6.650 27.751 1.00 48.86 C ATOM 1836 O PRO A 103 18.099 -6.173 26.690 1.00 47.97 O ATOM 1837 CB PRO A 103 16.646 -8.949 27.908 1.00 39.77 C ATOM 1838 CG PRO A 103 16.805 -10.077 28.863 1.00 60.03 C ATOM 1839 CD PRO A 103 17.549 -9.516 30.041 1.00 68.34 C ATOM 1840 N GLN A 104 17.052 -5.928 28.661 1.00 59.68 N ATOM 1841 CA GLN A 104 16.770 -4.511 28.448 1.00 54.59 C ATOM 1842 C GLN A 104 18.016 -3.636 28.506 1.00 31.53 C ATOM 1843 O GLN A 104 18.123 -2.640 27.786 1.00 37.13 O ATOM 1844 CB GLN A 104 15.758 -4.017 29.481 1.00 57.04 C ATOM 1845 CG GLN A 104 14.514 -3.402 28.871 1.00 56.64 C ATOM 1846 CD GLN A 104 13.624 -2.754 29.907 1.00 80.86 C ATOM 1847 OE1 GLN A 104 12.801 -1.896 29.586 1.00 90.90 O ATOM 1848 NE2 GLN A 104 13.783 -3.162 31.161 1.00 71.26 N ATOM 1849 N GLY A 105 18.953 -4.010 29.370 1.00 42.80 N ATOM 1850 CA GLY A 105 20.173 -3.241 29.508 1.00 36.19 C ATOM 1851 C GLY A 105 19.904 -1.850 30.049 1.00 21.55 C ATOM 1852 O GLY A 105 19.006 -1.650 30.871 1.00 27.47 O ATOM 1853 N ILE A 106 20.678 -0.883 29.574 1.00 23.55 N ATOM 1854 CA ILE A 106 20.541 0.494 30.018 1.00 19.39 C ATOM 1855 C ILE A 106 19.156 1.074 29.731 1.00 32.87 C ATOM 1856 O ILE A 106 18.790 2.122 30.266 1.00 24.90 O ATOM 1857 CB ILE A 106 21.624 1.384 29.361 1.00 31.80 C ATOM 1858 CG1 ILE A 106 21.737 2.711 30.112 1.00 20.48 C ATOM 1859 CG2 ILE A 106 21.301 1.602 27.887 1.00 21.47 C ATOM 1860 CD1 ILE A 106 23.060 3.404 29.911 1.00 18.42 C ATOM 1861 N ARG A 107 18.384 0.386 28.895 1.00 31.10 N ATOM 1862 CA ARG A 107 17.046 0.850 28.545 1.00 26.76 C ATOM 1863 C ARG A 107 16.066 0.700 29.708 1.00 20.59 C ATOM 1864 O ARG A 107 14.959 1.245 29.682 1.00 23.31 O ATOM 1865 CB ARG A 107 16.526 0.085 27.324 1.00 23.79 C ATOM 1866 CG ARG A 107 16.876 0.738 25.995 1.00 36.40 C ATOM 1867 CD ARG A 107 16.530 -0.174 24.826 1.00 28.29 C ATOM 1868 NE ARG A 107 15.851 0.547 23.755 1.00 51.85 N ATOM 1869 CZ ARG A 107 14.565 0.399 23.458 1.00 25.58 C ATOM 1870 NH1 ARG A 107 13.814 -0.446 24.151 1.00 47.50 N ATOM 1871 NH2 ARG A 107 14.029 1.097 22.468 1.00 63.73 N ATOM 1872 N ALA A 108 16.478 -0.037 30.732 1.00 27.72 N ATOM 1873 CA ALA A 108 15.633 -0.243 31.900 1.00 29.24 C ATOM 1874 C ALA A 108 15.272 1.089 32.565 1.00 33.15 C ATOM 1875 O ALA A 108 14.194 1.228 33.142 1.00 38.57 O ATOM 1876 CB ALA A 108 16.339 -1.156 32.896 1.00 25.33 C ATOM 1877 N TRP A 109 16.170 2.068 32.477 1.00 27.23 N ATOM 1878 CA TRP A 109 15.930 3.382 33.072 1.00 21.32 C ATOM 1879 C TRP A 109 15.154 4.298 32.125 1.00 25.93 C ATOM 1880 O TRP A 109 15.653 4.680 31.066 1.00 20.20 O ATOM 1881 CB TRP A 109 17.261 4.043 33.450 1.00 21.68 C ATOM 1882 CG TRP A 109 17.919 3.446 34.669 1.00 25.48 C ATOM 1883 CD1 TRP A 109 17.729 3.818 35.972 1.00 26.16 C ATOM 1884 CD2 TRP A 109 18.886 2.389 34.693 1.00 19.72 C ATOM 1885 NE1 TRP A 109 18.519 3.059 36.804 1.00 23.32 N ATOM 1886 CE2 TRP A 109 19.238 2.174 36.046 1.00 22.71 C ATOM 1887 CE3 TRP A 109 19.489 1.601 33.703 1.00 19.74 C ATOM 1888 CZ2 TRP A 109 20.172 1.202 36.435 1.00 22.67 C ATOM 1889 CZ3 TRP A 109 20.418 0.634 34.091 1.00 22.09 C ATOM 1890 CH2 TRP A 109 20.746 0.445 35.446 1.00 29.45 C ATOM 1891 N VAL A 110 13.935 4.655 32.521 1.00 27.50 N ATOM 1892 CA VAL A 110 13.077 5.521 31.718 1.00 26.17 C ATOM 1893 C VAL A 110 13.686 6.898 31.457 1.00 22.58 C ATOM 1894 O VAL A 110 13.538 7.454 30.367 1.00 24.00 O ATOM 1895 CB VAL A 110 11.701 5.701 32.391 1.00 31.33 C ATOM 1896 CG1 VAL A 110 10.812 6.579 31.533 1.00 32.46 C ATOM 1897 CG2 VAL A 110 11.053 4.348 32.604 1.00 29.21 C ATOM 1898 N ALA A 111 14.367 7.454 32.453 1.00 20.94 N ATOM 1899 CA ALA A 111 14.990 8.764 32.293 1.00 27.45 C ATOM 1900 C ALA A 111 16.073 8.712 31.214 1.00 19.60 C ATOM 1901 O ALA A 111 16.238 9.658 30.447 1.00 25.80 O ATOM 1902 CB ALA A 111 15.594 9.229 33.618 1.00 22.18 C ATOM 1903 N TRP A 112 16.811 7.607 31.159 1.00 18.29 N ATOM 1904 CA TRP A 112 17.868 7.466 30.169 1.00 21.50 C ATOM 1905 C TRP A 112 17.281 7.416 28.760 1.00 30.35 C ATOM 1906 O TRP A 112 17.797 8.040 27.832 1.00 17.70 O ATOM 1907 CB TRP A 112 18.688 6.202 30.428 1.00 16.90 C ATOM 1908 CG TRP A 112 19.801 6.044 29.444 1.00 25.01 C ATOM 1909 CD1 TRP A 112 21.038 6.619 29.504 1.00 21.31 C ATOM 1910 CD2 TRP A 112 19.758 5.305 28.217 1.00 26.27 C ATOM 1911 NE1 TRP A 112 21.770 6.288 28.387 1.00 20.24 N ATOM 1912 CE2 TRP A 112 21.008 5.483 27.579 1.00 25.78 C ATOM 1913 CE3 TRP A 112 18.784 4.511 27.592 1.00 19.69 C ATOM 1914 CZ2 TRP A 112 21.311 4.894 26.346 1.00 32.78 C ATOM 1915 CZ3 TRP A 112 19.083 3.926 26.366 1.00 25.13 C ATOM 1916 CH2 TRP A 112 20.338 4.122 25.757 1.00 24.64 C ATOM 1917 N ARG A 113 16.195 6.671 28.603 1.00 23.29 N ATOM 1918 CA ARG A 113 15.555 6.559 27.305 1.00 34.93 C ATOM 1919 C ARG A 113 14.995 7.918 26.876 1.00 33.30 C ATOM 1920 O ARG A 113 15.020 8.262 25.695 1.00 23.18 O ATOM 1921 CB ARG A 113 14.441 5.503 27.358 1.00 19.84 C ATOM 1922 CG ARG A 113 13.100 6.025 27.850 1.00 73.07 C ATOM 1923 CD ARG A 113 12.109 4.896 28.097 1.00 83.61 C ATOM 1924 NE ARG A 113 12.592 3.615 27.591 1.00 39.68 N ATOM 1925 CZ ARG A 113 12.657 2.505 28.318 1.00 79.01 C ATOM 1926 NH1 ARG A 113 12.271 2.516 29.587 1.00 60.56 N ATOM 1927 NH2 ARG A 113 13.108 1.383 27.775 1.00100.00 N ATOM 1928 N ASN A 114 14.518 8.701 27.840 1.00 19.35 N ATOM 1929 CA ASN A 114 13.944 10.011 27.538 1.00 19.47 C ATOM 1930 C ASN A 114 14.943 11.157 27.430 1.00 21.45 C ATOM 1931 O ASN A 114 14.723 12.101 26.674 1.00 23.28 O ATOM 1932 CB ASN A 114 12.885 10.370 28.585 1.00 27.74 C ATOM 1933 CG ASN A 114 11.655 9.488 28.490 1.00 43.70 C ATOM 1934 OD1 ASN A 114 11.021 9.173 29.497 1.00 49.17 O ATOM 1935 ND2 ASN A 114 11.314 9.079 27.274 1.00 57.43 N ATOM 1936 N ARG A 115 16.044 11.075 28.169 1.00 21.14 N ATOM 1937 CA ARG A 115 17.034 12.147 28.157 1.00 20.65 C ATOM 1938 C ARG A 115 18.383 11.847 27.510 1.00 15.75 C ATOM 1939 O ARG A 115 19.135 12.770 27.204 1.00 24.05 O ATOM 1940 CB ARG A 115 17.282 12.634 29.595 1.00 24.54 C ATOM 1941 CG ARG A 115 16.035 13.130 30.323 1.00 25.05 C ATOM 1942 CD ARG A 115 15.444 14.352 29.633 1.00 42.60 C ATOM 1943 NE ARG A 115 14.854 15.303 30.572 1.00 52.36 N ATOM 1944 CZ ARG A 115 13.720 15.097 31.234 1.00 53.08 C ATOM 1945 NH1 ARG A 115 13.044 13.966 31.067 1.00 78.28 N ATOM 1946 NH2 ARG A 115 13.261 16.020 32.067 1.00 48.46 N ATOM 1947 N CYS A 116 18.697 10.576 27.290 1.00 17.41 N ATOM 1948 CA CYS A 116 19.995 10.226 26.721 1.00 13.28 C ATOM 1949 C CYS A 116 19.968 9.498 25.387 1.00 20.66 C ATOM 1950 O CYS A 116 20.646 9.900 24.445 1.00 23.20 O ATOM 1951 CB CYS A 116 20.776 9.377 27.721 1.00 19.18 C ATOM 1952 SG CYS A 116 20.846 10.122 29.378 1.00 17.83 S ATOM 1953 N GLN A 117 19.192 8.421 25.322 1.00 16.45 N ATOM 1954 CA GLN A 117 19.092 7.614 24.113 1.00 15.10 C ATOM 1955 C GLN A 117 18.883 8.406 22.823 1.00 17.73 C ATOM 1956 O GLN A 117 18.022 9.286 22.748 1.00 18.93 O ATOM 1957 CB GLN A 117 17.965 6.591 24.260 1.00 15.58 C ATOM 1958 CG GLN A 117 18.008 5.485 23.208 1.00 18.54 C ATOM 1959 CD GLN A 117 16.918 4.450 23.398 1.00 20.15 C ATOM 1960 OE1 GLN A 117 15.740 4.789 23.512 1.00 30.09 O ATOM 1961 NE2 GLN A 117 17.306 3.178 23.430 1.00 23.37 N ATOM 1962 N ASN A 118 19.688 8.074 21.814 1.00 20.95 N ATOM 1963 CA ASN A 118 19.622 8.693 20.488 1.00 21.79 C ATOM 1964 C ASN A 118 20.014 10.168 20.416 1.00 26.75 C ATOM 1965 O ASN A 118 19.927 10.779 19.351 1.00 23.41 O ATOM 1966 CB ASN A 118 18.217 8.519 19.898 1.00 15.51 C ATOM 1967 CG ASN A 118 17.892 7.071 19.569 1.00 15.80 C ATOM 1968 OD1 ASN A 118 18.779 6.217 19.510 1.00 18.76 O ATOM 1969 ND2 ASN A 118 16.613 6.789 19.352 1.00 18.24 N ATOM 1970 N ARG A 119 20.448 10.739 21.536 1.00 19.58 N ATOM 1971 CA ARG A 119 20.837 12.147 21.562 1.00 17.31 C ATOM 1972 C ARG A 119 22.343 12.310 21.678 1.00 18.61 C ATOM 1973 O ARG A 119 23.054 11.376 22.048 1.00 22.35 O ATOM 1974 CB ARG A 119 20.166 12.862 22.739 1.00 21.21 C ATOM 1975 CG ARG A 119 18.650 12.914 22.662 1.00 25.00 C ATOM 1976 CD ARG A 119 18.041 13.065 24.043 1.00 36.61 C ATOM 1977 NE ARG A 119 16.586 13.109 23.982 1.00 44.97 N ATOM 1978 CZ ARG A 119 15.888 14.175 23.607 1.00 53.97 C ATOM 1979 NH1 ARG A 119 16.514 15.294 23.265 1.00 51.29 N ATOM 1980 NH2 ARG A 119 14.564 14.123 23.580 1.00 61.88 N ATOM 1981 N ASP A 120 22.829 13.503 21.357 1.00 15.31 N ATOM 1982 CA ASP A 120 24.253 13.783 21.454 1.00 18.92 C ATOM 1983 C ASP A 120 24.599 13.877 22.941 1.00 21.45 C ATOM 1984 O ASP A 120 24.056 14.715 23.661 1.00 21.40 O ATOM 1985 CB ASP A 120 24.572 15.105 20.747 1.00 25.43 C ATOM 1986 CG ASP A 120 26.060 15.357 20.629 1.00 28.40 C ATOM 1987 OD1 ASP A 120 26.795 15.093 21.603 1.00 29.18 O ATOM 1988 OD2 ASP A 120 26.495 15.821 19.557 1.00 42.28 O ATOM 1989 N VAL A 121 25.490 13.006 23.401 1.00 20.37 N ATOM 1990 CA VAL A 121 25.895 12.993 24.803 1.00 23.32 C ATOM 1991 C VAL A 121 27.391 13.248 24.962 1.00 23.36 C ATOM 1992 O VAL A 121 27.976 12.925 25.993 1.00 23.58 O ATOM 1993 CB VAL A 121 25.562 11.637 25.472 1.00 19.62 C ATOM 1994 CG1 VAL A 121 24.059 11.502 25.659 1.00 20.26 C ATOM 1995 CG2 VAL A 121 26.102 10.492 24.626 1.00 15.81 C ATOM 1996 N ARG A 122 28.010 13.831 23.940 1.00 19.96 N ATOM 1997 CA ARG A 122 29.440 14.109 23.989 1.00 20.12 C ATOM 1998 C ARG A 122 29.787 15.093 25.105 1.00 16.10 C ATOM 1999 O ARG A 122 30.881 15.045 25.667 1.00 23.30 O ATOM 2000 CB ARG A 122 29.914 14.659 22.643 1.00 27.53 C ATOM 2001 CG ARG A 122 30.004 13.610 21.539 1.00 26.40 C ATOM 2002 CD ARG A 122 29.225 14.046 20.304 1.00 51.01 C ATOM 2003 NE ARG A 122 30.106 14.540 19.250 1.00 55.73 N ATOM 2004 CZ ARG A 122 29.849 15.599 18.490 1.00 35.17 C ATOM 2005 NH1 ARG A 122 28.733 16.290 18.659 1.00 36.45 N ATOM 2006 NH2 ARG A 122 30.713 15.970 17.556 1.00 79.05 N ATOM 2007 N GLN A 123 28.846 15.976 25.423 1.00 18.27 N ATOM 2008 CA GLN A 123 29.030 16.985 26.467 1.00 31.14 C ATOM 2009 C GLN A 123 29.393 16.407 27.838 1.00 34.02 C ATOM 2010 O GLN A 123 30.180 16.998 28.574 1.00 27.27 O ATOM 2011 CB GLN A 123 27.754 17.818 26.609 1.00 32.70 C ATOM 2012 CG GLN A 123 26.569 17.018 27.140 1.00 47.83 C ATOM 2013 CD GLN A 123 25.280 17.812 27.169 1.00 65.82 C ATOM 2014 OE1 GLN A 123 25.159 18.795 27.902 1.00 76.45 O ATOM 2015 NE2 GLN A 123 24.306 17.389 26.369 1.00 59.88 N ATOM 2016 N TYR A 124 28.818 15.256 28.178 1.00 24.04 N ATOM 2017 CA TYR A 124 29.062 14.623 29.474 1.00 27.54 C ATOM 2018 C TYR A 124 30.492 14.174 29.692 1.00 34.65 C ATOM 2019 O TYR A 124 30.870 13.827 30.807 1.00 34.78 O ATOM 2020 CB TYR A 124 28.134 13.416 29.663 1.00 18.46 C ATOM 2021 CG TYR A 124 26.681 13.796 29.730 1.00 28.14 C ATOM 2022 CD1 TYR A 124 26.122 14.280 30.914 1.00 27.84 C ATOM 2023 CD2 TYR A 124 25.876 13.735 28.596 1.00 20.80 C ATOM 2024 CE1 TYR A 124 24.792 14.699 30.963 1.00 23.32 C ATOM 2025 CE2 TYR A 124 24.548 14.151 28.633 1.00 23.34 C ATOM 2026 CZ TYR A 124 24.013 14.636 29.818 1.00 41.08 C ATOM 2027 OH TYR A 124 22.709 15.078 29.845 1.00 35.85 O ATOM 2028 N VAL A 125 31.299 14.188 28.640 1.00 26.82 N ATOM 2029 CA VAL A 125 32.670 13.731 28.785 1.00 25.69 C ATOM 2030 C VAL A 125 33.716 14.678 28.191 1.00 27.38 C ATOM 2031 O VAL A 125 34.921 14.463 28.337 1.00 25.25 O ATOM 2032 CB VAL A 125 32.798 12.307 28.179 1.00 36.04 C ATOM 2033 CG1 VAL A 125 33.194 12.380 26.718 1.00 29.66 C ATOM 2034 CG2 VAL A 125 33.780 11.491 28.980 1.00 45.20 C ATOM 2035 N GLN A 126 33.253 15.741 27.545 1.00 33.83 N ATOM 2036 CA GLN A 126 34.156 16.709 26.931 1.00 27.24 C ATOM 2037 C GLN A 126 35.071 17.402 27.940 1.00 49.42 C ATOM 2038 O GLN A 126 34.604 17.976 28.926 1.00 39.53 O ATOM 2039 CB GLN A 126 33.353 17.769 26.168 1.00 36.79 C ATOM 2040 CG GLN A 126 32.649 17.257 24.914 1.00 91.45 C ATOM 2041 CD GLN A 126 33.531 16.360 24.057 1.00 96.90 C ATOM 2042 OE1 GLN A 126 34.710 16.647 23.846 1.00100.00 O ATOM 2043 NE2 GLN A 126 32.959 15.267 23.559 1.00 61.64 N ATOM 2044 N GLY A 127 36.375 17.338 27.683 1.00 37.98 N ATOM 2045 CA GLY A 127 37.349 17.988 28.545 1.00 32.18 C ATOM 2046 C GLY A 127 37.801 17.241 29.786 1.00 37.32 C ATOM 2047 O GLY A 127 38.525 17.796 30.614 1.00 41.14 O ATOM 2048 N CYS A 128 37.389 15.987 29.924 1.00 29.23 N ATOM 2049 CA CYS A 128 37.765 15.201 31.090 1.00 30.89 C ATOM 2050 C CYS A 128 39.040 14.398 30.861 1.00 38.29 C ATOM 2051 O CYS A 128 39.584 13.795 31.788 1.00 32.23 O ATOM 2052 CB CYS A 128 36.615 14.269 31.470 1.00 31.72 C ATOM 2053 SG CYS A 128 35.079 15.155 31.884 1.00 29.68 S ATOM 2054 N GLY A 129 39.513 14.398 29.620 1.00 38.56 N ATOM 2055 CA GLY A 129 40.723 13.668 29.293 1.00 34.63 C ATOM 2056 C GLY A 129 40.579 12.167 29.443 1.00 27.96 C ATOM 2057 O GLY A 129 41.513 11.493 29.874 1.00 44.08 O ATOM 2058 N VAL A 130 39.409 11.643 29.088 1.00 32.40 N ATOM 2059 CA VAL A 130 39.145 10.209 29.178 1.00 55.21 C ATOM 2060 C VAL A 130 38.880 9.621 27.794 1.00 72.69 C ATOM 2061 O VAL A 130 38.553 10.403 26.874 1.00 39.88 O ATOM 2062 CB VAL A 130 37.922 9.916 30.073 1.00 39.23 C ATOM 2063 CG1 VAL A 130 38.272 10.167 31.526 1.00 36.67 C ATOM 2064 CG2 VAL A 130 36.755 10.781 29.650 1.00 23.36 C ATOM 2065 OXT VAL A 130 39.000 8.385 27.649 1.00 58.90 O TER 2066 VAL B 130 HETATM 2067 O HOH A 400 22.301 22.999 51.591 1.00 16.59 O HETATM 2068 O HOH A 401 20.148 24.634 50.828 1.00 14.76 O HETATM 2069 O HOH A 402 21.680 16.329 44.829 1.00 16.88 O HETATM 2070 O HOH A 403 23.095 20.727 50.313 1.00 13.74 O HETATM 2071 O HOH A 404 18.010 24.978 48.539 1.00 12.73 O HETATM 2072 O HOH A 405 7.785 15.647 49.353 1.00 14.77 O HETATM 2073 O HOH A 407 4.212 23.733 45.090 1.00 22.88 O HETATM 2074 O HOH A 416 8.675 26.192 57.714 1.00 19.93 O HETATM 2075 O HOH A 418 20.091 15.996 37.495 1.00 20.67 O HETATM 2076 O HOH A 419 31.329 28.447 37.820 1.00 20.80 O HETATM 2077 O HOH A 420 8.708 15.853 45.682 1.00 20.86 O HETATM 2078 O HOH A 423 5.560 13.878 50.287 1.00 21.41 O HETATM 2079 O HOH A 424 27.256 20.425 43.580 1.00 24.06 O HETATM 2080 O HOH A 426 19.654 15.667 42.269 1.00 39.74 O HETATM 2081 O HOH A 428 11.359 24.947 43.857 1.00 19.82 O HETATM 2082 O HOH A 430 27.644 43.414 31.022 1.00 28.48 O HETATM 2083 O HOH A 432 10.156 38.621 30.320 1.00 28.32 O HETATM 2084 O HOH A 433 29.139 24.258 50.583 1.00 23.97 O HETATM 2085 O HOH A 435 22.616 24.067 57.568 1.00 22.93 O HETATM 2086 O HOH A 437 10.094 30.502 50.005 1.00 25.49 O HETATM 2087 O HOH A 438 12.527 42.372 38.038 1.00 28.82 O HETATM 2088 O HOH A 439 26.492 19.890 40.761 1.00 26.89 O HETATM 2089 O HOH A 446 23.738 40.737 49.137 1.00 37.82 O HETATM 2090 O HOH A 448 12.534 25.528 36.264 1.00 28.33 O HETATM 2091 O HOH A 450 25.107 37.231 54.728 1.00 25.26 O HETATM 2092 O HOH A 455 29.166 35.781 34.735 1.00 26.19 O HETATM 2093 O HOH A 456 26.006 25.883 61.180 1.00 48.06 O HETATM 2094 O HOH A 459 19.889 35.607 56.412 1.00 48.29 O HETATM 2095 O HOH A 460 21.948 39.218 32.966 1.00 40.91 O HETATM 2096 O HOH A 461 23.393 35.657 32.573 1.00 41.60 O HETATM 2097 O HOH A 463 9.870 24.829 40.290 1.00 37.94 O HETATM 2098 O HOH A 464 23.837 14.625 51.900 1.00 32.63 O HETATM 2099 O HOH A 465 1.165 29.487 54.200 1.00 45.01 O HETATM 2100 O HOH A 467 13.622 11.109 51.088 1.00 47.68 O HETATM 2101 O HOH A 469 11.158 9.924 39.415 1.00 64.58 O HETATM 2102 O HOH A 470 29.356 25.592 53.947 1.00 33.34 O HETATM 2103 O HOH A 474 20.283 17.954 57.036 1.00 36.74 O HETATM 2104 O HOH A 476 17.493 13.232 39.673 1.00 51.12 O HETATM 2105 O HOH A 482 26.865 39.105 53.235 1.00 30.91 O HETATM 2106 O HOH A 483 11.272 33.399 50.348 1.00 41.38 O HETATM 2107 O HOH A 484 16.074 38.198 51.883 1.00 46.20 O HETATM 2108 O HOH A 485 16.883 29.684 33.572 1.00 37.08 O HETATM 2109 O HOH A 486 9.913 33.385 44.869 1.00 42.39 O HETATM 2110 O HOH A 487 18.285 43.169 42.749 1.00 41.93 O HETATM 2111 O HOH A 488 16.205 29.356 60.138 1.00 52.08 O HETATM 2112 O HOH A 489 10.547 28.308 45.900 1.00 46.55 O HETATM 2113 O HOH A 490 9.221 20.692 57.121 1.00 42.80 O HETATM 2114 O HOH A 491 18.800 39.661 35.893 1.00 37.63 O HETATM 2115 O HOH A 492 -2.228 20.649 58.995 1.00 57.96 O HETATM 2116 O HOH A 493 8.760 22.951 35.711 1.00 50.96 O HETATM 2117 O HOH A 495 14.990 17.278 58.008 1.00 63.35 O HETATM 2118 O HOH A 496 11.029 18.148 56.182 1.00 49.71 O HETATM 2119 O HOH A 497 15.461 25.785 30.746 1.00 49.98 O HETATM 2120 O HOH A 498 27.617 42.665 51.202 1.00 46.24 O HETATM 2121 O HOH A 499 17.651 26.996 31.718 1.00 65.67 O HETATM 2122 O HOH A 500 29.363 41.740 36.020 1.00 66.70 O HETATM 2123 O HOH A 501 0.638 28.524 50.322 1.00 40.69 O HETATM 2124 O HOH A 503 19.067 45.499 41.128 1.00 49.40 O HETATM 2125 O HOH A 505 3.868 30.831 53.465 1.00 45.46 O HETATM 2126 O HOH A 511 -0.233 17.059 54.089 1.00 40.15 O HETATM 2127 O HOH A 513 11.582 27.480 27.516 1.00 40.08 O HETATM 2128 O HOH A 514 8.350 13.072 47.280 1.00 38.94 O HETATM 2129 O HOH A 515 13.797 13.877 37.053 1.00 45.70 O HETATM 2130 O HOH A 516 10.749 40.808 35.604 1.00 48.25 O HETATM 2131 O HOH A 520 22.090 37.603 54.686 1.00 42.74 O HETATM 2132 O HOH A 521 28.350 32.398 58.159 1.00 51.84 O HETATM 2133 O HOH A 525 3.057 12.212 52.131 1.00 24.79 O HETATM 2134 O HOH A 529 22.689 48.400 34.536 1.00 28.88 O HETATM 2135 O HOH A 530 12.823 16.127 54.622 1.00 39.47 O HETATM 2136 O HOH A 531 9.283 17.970 38.992 1.00 31.66 O HETATM 2137 O HOH A 533 10.582 24.673 36.965 1.00 43.64 O HETATM 2138 O HOH A 535 0.674 13.987 52.050 1.00 37.62 O HETATM 2139 O HOH A 536 16.516 33.404 55.985 1.00 37.57 O HETATM 2140 O HOH A 539 5.843 11.434 50.067 1.00 36.09 O HETATM 2141 O HOH A 541 24.984 40.875 52.107 1.00 43.41 O HETATM 2142 O HOH A 542 10.218 30.913 47.395 1.00 58.46 O HETATM 2143 O HOH A 544 8.173 37.490 34.264 1.00 50.84 O HETATM 2144 O HOH A 545 3.053 12.208 48.267 1.00 54.14 O HETATM 2145 O HOH A 546 21.113 36.708 32.427 1.00 63.10 O HETATM 2146 O HOH A 552 36.202 41.627 42.506 1.00 57.21 O HETATM 2147 O HOH A 553 27.499 16.578 49.765 1.00 47.64 O HETATM 2148 O HOH A 554 32.636 41.527 39.585 1.00 68.92 O HETATM 2149 O HOH A 556 29.951 24.351 58.855 1.00 53.11 O HETATM 2150 O HOH A 557 -0.691 12.515 47.384 1.00 55.39 O HETATM 2151 O HOH A 559 15.369 24.417 59.453 1.00 44.45 O HETATM 2152 O HOH A 560 12.350 38.176 49.841 1.00 63.10 O HETATM 2153 O HOH A 562 9.091 39.459 45.476 1.00 57.89 O HETATM 2154 O HOH A 563 10.170 12.503 39.137 1.00 66.58 O HETATM 2155 O HOH A 568 19.325 29.788 28.719 1.00 59.80 O HETATM 2156 O HOH A 570 4.649 38.132 44.008 1.00 71.64 O HETATM 2157 O HOH A 571 25.472 25.022 30.949 1.00 50.44 O HETATM 2158 O HOH A 573 21.392 28.743 59.396 1.00 27.70 O HETATM 2159 O HOH A 576 11.509 26.731 41.614 1.00 36.09 O HETATM 2160 O HOH A 578 34.739 36.439 52.158 1.00 37.62 O HETATM 2161 O HOH A 579 23.906 46.170 40.645 1.00 52.30 O HETATM 2162 O HOH A 580 31.981 35.244 37.596 1.00 43.09 O HETATM 2163 O HOH A 584 30.460 22.268 38.043 1.00 50.53 O HETATM 2164 O HOH A 586 10.981 44.327 33.370 1.00 55.72 O HETATM 2165 O HOH A 590 6.737 37.173 30.518 1.00 51.31 O HETATM 2166 O HOH A 592 30.805 21.838 48.756 1.00 43.82 O HETATM 2167 O HOH A 595 33.104 23.466 46.868 1.00 56.07 O HETATM 2168 O HOH A 596 13.263 24.721 25.627 1.00 58.28 O HETATM 2169 O HOH A 597 12.689 19.387 58.199 1.00 48.36 O HETATM 2170 O HOH A 598 30.718 27.137 57.815 1.00 59.80 O HETATM 2171 O HOH A 599 17.923 36.729 32.942 1.00 54.83 O HETATM 2172 O HOH A 600 36.049 29.906 43.793 1.00 58.65 O HETATM 2173 O HOH A 601 33.110 39.901 51.723 1.00 60.47 O HETATM 2174 O HOH A 602 24.039 43.138 47.843 1.00 48.94 O HETATM 2175 O HOH A 603 26.287 36.419 57.567 1.00 55.10 O HETATM 2176 O HOH A 605 20.056 36.219 59.086 1.00 69.53 O HETATM 2177 O HOH A 606 30.197 23.317 55.238 1.00 50.70 O HETATM 2178 O HOH A 607 27.524 48.049 44.038 1.00 76.16 O HETATM 2179 O HOH A 608 34.703 43.543 41.256 1.00 55.34 O HETATM 2180 O HOH A 609 -1.947 30.155 55.975 1.00 52.70 O HETATM 2181 O HOH A 611 13.674 26.230 59.474 1.00 43.23 O HETATM 2182 O HOH A 613 24.960 19.990 34.336 1.00 47.68 O HETATM 2183 O HOH A 614 21.601 12.886 52.697 1.00 70.96 O HETATM 2184 O HOH A 618 8.262 31.025 43.322 1.00 39.22 O HETATM 2185 O HOH A 619 9.077 31.449 56.124 1.00 72.15 O HETATM 2186 O HOH A 623 12.666 12.761 53.632 1.00 48.60 O HETATM 2187 O HOH A 625 4.242 32.965 55.199 1.00 76.26 O HETATM 2188 O HOH A 626 35.044 35.125 35.440 1.00 65.52 O HETATM 2189 O HOH A 627 30.465 33.962 59.006 1.00 62.08 O HETATM 2190 O HOH A 628 11.471 13.023 36.957 1.00 51.71 O HETATM 2191 O HOH A 629 30.121 40.717 52.581 1.00 60.09 O HETATM 2192 O HOH A 630 6.313 28.126 46.578 1.00 67.97 O HETATM 2193 O HOH A 632 17.504 17.913 50.262 1.00 87.98 O HETATM 2194 O HOH A 635 9.353 25.081 34.001 1.00 62.36 O HETATM 2195 O HOH A 636 8.276 34.541 47.197 1.00 65.29 O HETATM 2196 O HOH A 637 15.013 44.764 43.671 1.00 59.21 O HETATM 2197 O HOH A 638 14.572 10.270 36.504 1.00 49.20 O HETATM 2198 O HOH A 640 22.334 14.171 50.543 1.00 68.17 O HETATM 2199 O HOH A 641 11.602 41.667 29.416 1.00 31.17 O HETATM 2200 O HOH A 643 -4.767 22.604 58.174 1.00 66.24 O HETATM 2201 O HOH A 644 33.149 23.042 38.837 1.00 58.37 O HETATM 2202 O HOH A 645 27.306 19.452 35.593 1.00 22.67 O HETATM 2203 O HOH A 646 28.928 50.625 32.390 1.00 60.24 O HETATM 2204 O HOH A 647 29.410 50.740 34.268 1.00 60.44 O HETATM 2205 O HOH A 648 1.144 20.058 46.967 1.00 31.09 O HETATM 2206 O HOH A 649 27.268 51.766 33.773 1.00 52.96 O HETATM 2207 O HOH A 650 32.069 27.272 51.251 1.00 55.91 O HETATM 2208 O HOH A 652 32.865 28.305 52.953 1.00 58.09 O HETATM 2209 O HOH A 653 11.175 34.511 56.706 1.00 68.12 O HETATM 2210 O HOH A 654 12.155 10.080 35.708 1.00 61.35 O HETATM 2211 O HOH A 655 12.564 16.387 58.676 1.00 64.09 O HETATM 2212 O HOH A 658 33.055 24.877 49.345 1.00 59.78 O HETATM 2213 O HOH A 660 33.063 21.867 50.935 1.00 69.25 O HETATM 2214 O HOH A 665 31.165 22.073 53.695 1.00 66.26 O HETATM 2215 O HOH A 666 16.927 24.041 61.696 1.00 67.27 O HETATM 2216 O HOH A 667 9.446 16.150 61.015 1.00 60.49 O HETATM 2217 O HOH A 668 -3.570 29.079 56.432 1.00 50.13 O HETATM 2218 O HOH A 670 9.348 9.757 53.258 1.00 53.08 O HETATM 2219 O HOH A 672 28.414 22.679 35.916 1.00 56.87 O HETATM 2220 O HOH A 673 -6.119 21.337 54.369 1.00 62.18 O HETATM 2221 O HOH A 674 -5.787 25.820 49.975 1.00 66.05 O HETATM 2222 O HOH A 677 14.005 32.825 54.729 1.00 76.30 O HETATM 2223 O HOH A 684 11.868 47.983 42.699 1.00 60.54 O HETATM 2224 O HOH A 685 -2.961 13.165 46.556 1.00 68.53 O HETATM 2225 O HOH A 687 14.204 14.736 59.431 1.00 69.84 O HETATM 2226 O HOH A 688 14.168 10.173 54.208 1.00 65.98 O HETATM 2227 O HOH A 689 22.734 44.466 51.084 1.00 66.18 O HETATM 2228 O HOH A 690 11.205 13.600 34.580 1.00 53.03 O HETATM 2229 O HOH B 406 23.523 3.397 42.633 1.00 15.05 O HETATM 2230 O HOH B 408 27.786 4.500 46.088 1.00 20.92 O HETATM 2231 O HOH B 409 26.142 13.361 48.760 1.00 18.17 O HETATM 2232 O HOH B 410 32.374 7.476 25.734 1.00 25.69 O HETATM 2233 O HOH B 411 15.600 4.273 17.980 1.00 17.98 O HETATM 2234 O HOH B 412 18.066 11.134 49.524 1.00 18.01 O HETATM 2235 O HOH B 413 27.615 9.009 50.388 1.00 21.19 O HETATM 2236 O HOH B 414 29.073 1.894 46.108 1.00 18.52 O HETATM 2237 O HOH B 415 11.999 0.128 50.120 1.00 21.37 O HETATM 2238 O HOH B 417 3.290 2.322 49.751 1.00 24.94 O HETATM 2239 O HOH B 421 29.839 0.418 49.481 1.00 23.19 O HETATM 2240 O HOH B 422 36.616 1.777 31.037 1.00 25.28 O HETATM 2241 O HOH B 425 25.590 5.070 44.504 1.00 20.48 O HETATM 2242 O HOH B 427 14.606 6.807 40.797 1.00 21.73 O HETATM 2243 O HOH B 429 15.087 -5.394 49.268 1.00 20.62 O HETATM 2244 O HOH B 431 29.934 16.271 48.130 1.00 26.39 O HETATM 2245 O HOH B 434 32.119 0.468 47.198 1.00 23.00 O HETATM 2246 O HOH B 436 34.455 5.698 44.142 1.00 34.25 O HETATM 2247 O HOH B 440 16.318 -7.143 46.296 1.00 35.33 O HETATM 2248 O HOH B 441 33.063 -3.991 38.719 1.00 31.51 O HETATM 2249 O HOH B 442 25.217 15.007 17.244 1.00 24.50 O HETATM 2250 O HOH B 443 13.405 -6.457 51.131 1.00 27.65 O HETATM 2251 O HOH B 444 14.032 10.673 48.634 1.00 26.00 O HETATM 2252 O HOH B 445 23.822 8.812 20.931 1.00 33.43 O HETATM 2253 O HOH B 447 25.278 17.539 39.523 1.00 29.11 O HETATM 2254 O HOH B 449 10.686 -2.384 41.069 1.00 30.06 O HETATM 2255 O HOH B 451 28.291 2.793 22.668 1.00 35.37 O HETATM 2256 O HOH B 452 27.083 16.761 33.643 1.00 27.68 O HETATM 2257 O HOH B 453 26.394 16.676 24.018 1.00 37.36 O HETATM 2258 O HOH B 454 12.581 4.127 51.144 1.00 29.91 O HETATM 2259 O HOH B 457 20.004 -1.246 53.008 1.00 40.17 O HETATM 2260 O HOH B 458 17.571 -0.571 39.079 1.00 30.16 O HETATM 2261 O HOH B 462 14.253 6.499 35.291 1.00 40.62 O HETATM 2262 O HOH B 466 30.250 18.593 37.789 1.00 28.93 O HETATM 2263 O HOH B 468 20.492 8.800 51.339 1.00 38.23 O HETATM 2264 O HOH B 471 11.718 9.271 48.066 1.00 25.96 O HETATM 2265 O HOH B 472 31.773 16.465 14.975 1.00 53.41 O HETATM 2266 O HOH B 473 28.779 17.827 40.220 1.00 29.54 O HETATM 2267 O HOH B 475 17.693 14.787 38.262 1.00 66.02 O HETATM 2268 O HOH B 477 29.279 -7.705 38.709 1.00 41.86 O HETATM 2269 O HOH B 478 26.110 -5.448 51.298 1.00 43.73 O HETATM 2270 O HOH B 479 22.975 8.373 23.451 1.00 38.02 O HETATM 2271 O HOH B 480 34.678 -3.284 24.670 1.00 67.46 O HETATM 2272 O HOH B 481 30.400 18.444 44.343 1.00 33.99 O HETATM 2273 O HOH B 494 40.460 6.493 34.228 1.00 62.12 O HETATM 2274 O HOH B 502 33.230 -3.501 44.764 1.00 64.03 O HETATM 2275 O HOH B 504 22.543 -1.630 27.478 1.00 42.30 O HETATM 2276 O HOH B 506 21.408 14.292 26.763 1.00 52.82 O HETATM 2277 O HOH B 507 10.157 1.873 52.580 1.00 43.36 O HETATM 2278 O HOH B 508 17.902 15.655 27.616 1.00 43.30 O HETATM 2279 O HOH B 509 36.171 7.396 27.042 1.00 40.56 O HETATM 2280 O HOH B 510 24.735 13.754 55.988 1.00 45.16 O HETATM 2281 O HOH B 512 12.063 11.726 32.477 1.00 43.89 O HETATM 2282 O HOH B 517 14.548 -8.787 52.730 1.00 66.96 O HETATM 2283 O HOH B 518 37.514 13.493 27.832 1.00 56.93 O HETATM 2284 O HOH B 519 18.599 -14.047 44.375 1.00 60.62 O HETATM 2285 O HOH B 522 13.031 3.742 35.281 1.00 51.58 O HETATM 2286 O HOH B 523 9.235 9.572 46.290 1.00 47.13 O HETATM 2287 O HOH B 524 27.452 12.903 56.556 1.00 15.05 O HETATM 2288 O HOH B 526 32.554 4.457 51.016 1.00 23.25 O HETATM 2289 O HOH B 527 35.142 17.250 37.622 1.00 27.46 O HETATM 2290 O HOH B 528 22.020 17.674 38.341 1.00 24.49 O HETATM 2291 O HOH B 532 14.557 7.037 37.999 1.00 49.09 O HETATM 2292 O HOH B 534 34.903 8.534 46.781 1.00 48.32 O HETATM 2293 O HOH B 537 19.306 15.890 40.137 1.00 34.82 O HETATM 2294 O HOH B 538 33.466 -2.591 41.260 1.00 43.94 O HETATM 2295 O HOH B 540 15.820 2.192 39.078 1.00 47.37 O HETATM 2296 O HOH B 543 11.339 4.600 39.829 1.00 52.21 O HETATM 2297 O HOH B 547 14.853 -2.591 56.561 1.00 49.46 O HETATM 2298 O HOH B 548 13.545 15.372 27.355 1.00 63.33 O HETATM 2299 O HOH B 549 34.547 9.266 26.675 1.00 38.97 O HETATM 2300 O HOH B 550 17.016 -9.426 39.848 1.00 38.65 O HETATM 2301 O HOH B 551 20.079 14.714 43.486 1.00 34.34 O HETATM 2302 O HOH B 555 11.782 -9.662 51.086 1.00 60.49 O HETATM 2303 O HOH B 558 14.046 7.548 23.274 1.00 62.98 O HETATM 2304 O HOH B 561 37.482 16.433 24.912 1.00 52.32 O HETATM 2305 O HOH B 564 23.524 -4.779 28.073 1.00 54.10 O HETATM 2306 O HOH B 565 28.288 -8.658 46.341 1.00 57.51 O HETATM 2307 O HOH B 566 18.462 -3.937 32.290 1.00 50.18 O HETATM 2308 O HOH B 567 39.452 15.701 27.183 1.00 47.49 O HETATM 2309 O HOH B 569 16.729 -3.082 35.915 1.00 48.75 O HETATM 2310 O HOH B 572 36.417 8.977 42.843 1.00 53.13 O HETATM 2311 O HOH B 574 25.857 6.421 21.516 1.00 33.49 O HETATM 2312 O HOH B 575 29.424 9.507 53.406 1.00 40.20 O HETATM 2313 O HOH B 577 8.492 0.659 53.510 1.00 31.67 O HETATM 2314 O HOH B 581 18.949 16.366 22.497 1.00 47.38 O HETATM 2315 O HOH B 582 23.540 -9.030 51.007 1.00 43.40 O HETATM 2316 O HOH B 583 27.401 -6.641 42.888 1.00 47.53 O HETATM 2317 O HOH B 585 31.313 19.103 46.692 1.00 53.02 O HETATM 2318 O HOH B 587 17.789 -0.826 36.568 1.00 48.92 O HETATM 2319 O HOH B 588 12.600 3.505 23.664 1.00 45.06 O HETATM 2320 O HOH B 589 13.436 4.466 16.826 1.00 48.66 O HETATM 2321 O HOH B 591 34.565 -1.570 22.915 1.00 50.66 O HETATM 2322 O HOH B 593 29.912 19.431 42.621 1.00 58.02 O HETATM 2323 O HOH B 594 32.119 1.785 50.754 1.00 52.28 O HETATM 2324 O HOH B 604 30.880 20.960 40.270 1.00 48.34 O HETATM 2325 O HOH B 610 20.896 -5.249 27.626 1.00 54.42 O HETATM 2326 O HOH B 612 14.010 12.506 33.431 1.00 45.54 O HETATM 2327 O HOH B 615 39.373 17.216 34.375 1.00 61.54 O HETATM 2328 O HOH B 616 36.217 13.752 24.763 1.00 60.12 O HETATM 2329 O HOH B 617 36.555 -3.112 37.879 1.00 69.84 O HETATM 2330 O HOH B 620 26.990 14.899 15.118 1.00 57.05 O HETATM 2331 O HOH B 621 18.381 7.619 52.873 1.00 55.42 O HETATM 2332 O HOH B 622 16.853 -5.083 33.953 1.00 57.71 O HETATM 2333 O HOH B 624 15.016 3.311 52.688 1.00 55.42 O HETATM 2334 O HOH B 631 27.022 -0.248 53.112 1.00 69.56 O HETATM 2335 O HOH B 633 9.922 -9.812 42.586 1.00 65.25 O HETATM 2336 O HOH B 634 35.947 11.251 25.697 1.00 58.01 O HETATM 2337 O HOH B 639 11.997 1.913 39.687 1.00 54.81 O HETATM 2338 O HOH B 642 22.372 -1.896 56.411 1.00 53.98 O HETATM 2339 O HOH B 651 34.085 18.498 36.539 1.00 29.33 O HETATM 2340 O HOH B 656 33.889 18.321 47.065 1.00 79.38 O HETATM 2341 O HOH B 657 14.377 -11.565 26.907 1.00 57.99 O HETATM 2342 O HOH B 659 15.270 8.520 51.545 1.00 61.52 O HETATM 2343 O HOH B 661 15.992 7.638 55.740 1.00 69.61 O HETATM 2344 O HOH B 662 37.678 0.777 28.451 1.00 62.97 O HETATM 2345 O HOH B 663 11.852 7.815 51.245 1.00 58.29 O HETATM 2346 O HOH B 664 14.149 9.950 52.107 1.00 56.71 O HETATM 2347 O HOH B 669 14.616 3.669 55.684 1.00 70.28 O HETATM 2348 O HOH B 671 29.688 20.374 33.967 1.00 64.66 O HETATM 2349 O HOH B 675 24.604 -12.004 28.941 1.00 63.74 O HETATM 2350 O HOH B 676 17.227 5.642 53.220 1.00 55.81 O HETATM 2351 O HOH B 678 36.543 6.188 48.311 1.00 55.92 O HETATM 2352 O HOH B 679 30.630 18.020 15.710 1.00 60.35 O HETATM 2353 O HOH B 680 11.357 0.451 35.211 1.00 78.20 O HETATM 2354 O HOH B 681 15.183 5.634 51.607 1.00 59.34 O HETATM 2355 O HOH B 682 32.847 15.508 45.960 1.00 58.57 O HETATM 2356 O HOH B 683 24.893 -3.852 23.636 1.00 59.98 O HETATM 2357 O HOH B 686 37.345 11.114 43.362 1.00 48.26 O CONECT 53 1020 CONECT 243 919 CONECT 534 642 CONECT 612 738 CONECT 642 534 CONECT 738 612 CONECT 919 243 CONECT 1020 53 CONECT 1086 2053 CONECT 1276 1952 CONECT 1567 1675 CONECT 1645 1771 CONECT 1675 1567 CONECT 1771 1645 CONECT 1952 1276 CONECT 2053 1086 MASTER 291 0 0 16 4 0 0 6 2355 2 16 20 END