HEADER HYDROLASE 21-APR-09 3A1R TITLE NEUTRON CRYSTAL STRUCTURE ANALYSIS OF BOVINE PANCREATIC RIBONUCLEASE A COMPND MOL_ID: 1; COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: RNASE 1, RNASE A; COMPND 5 EC: 3.1.27.5 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: BOVINE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 OTHER_DETAILS: PANCREAS KEYWDS BOVINE PANCREATIC RIBONUCLEASE A, NEUTRON STRUCTURE, ENDONUCLEASE, KEYWDS 2 GLYCATION, GLYCOPROTEIN, HYDROLASE, SECRETED, DISULFIDE BOND, KEYWDS 3 NUCLEASE EXPDTA NEUTRON DIFFRACTION AUTHOR D.YAGI,I.TANAKA,N.NIIMURA REVDAT 2 13-JUL-11 3A1R 1 VERSN REVDAT 1 01-SEP-09 3A1R 0 JRNL AUTH D.YAGI,T.YAMADA,K.KURIHARA,Y.OHNISHI,M.YAMASHITA,T.TAMADA, JRNL AUTH 2 I.TANAKA,R.KUROKI,N.NIIMURA JRNL TITL A NEUTRON CRYSTALLOGRAPHIC ANALYSIS OF PHOSPHATE-FREE JRNL TITL 2 RIBONUCLEASE A AT 1.7 A RESOLUTION JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 65 892 2009 JRNL REFN ISSN 0907-4449 JRNL PMID 19690366 JRNL DOI 10.1107/S0907444909018885 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD TARGET USING AMPLITUDES REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.84 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 666500.050 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 63.9 REMARK 3 NUMBER OF REFLECTIONS : 15029 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) : 0.195 REMARK 3 FREE R VALUE : 0.238 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 750 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.009 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) : 1.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.49 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 23.70 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 870 REMARK 3 BIN R VALUE (WORKING SET) : 0.3330 REMARK 3 BIN FREE R VALUE : 0.3680 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.40 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 50 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.052 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 951 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 92 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 11.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 1.19000 REMARK 3 B22 (A**2) : -0.25000 REMARK 3 B33 (A**2) : -0.94000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.32000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.17 REMARK 3 ESD FROM SIGMAA (A) : 0.14 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) : 0.21 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.16 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) : 24.10 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.26 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : ANISOTROPIC REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.320 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.820 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.850 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.910 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.06 REMARK 3 BSOL : 13.00 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 : PRO3.PARAM REMARK 3 PARAMETER FILE 2 : SOL.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : PRO2.TOP REMARK 3 TOPOLOGY FILE 2 : SOL.TOP REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3A1R COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 23-APR-09. REMARK 100 THE RCSB ID CODE IS RCSB028702. REMARK 230 REMARK 230 EXPERIMENTAL DETAILS REMARK 230 EXPERIMENT TYPE : NEUTRON DIFFRACTION REMARK 230 DATE OF DATA COLLECTION : NULL REMARK 230 TEMPERATURE (KELVIN) : NULL REMARK 230 PH : NULL REMARK 230 NUMBER OF CRYSTALS USED : 1 REMARK 230 REMARK 230 NEUTRON SOURCE : NULL REMARK 230 BEAMLINE : NULL REMARK 230 WAVELENGTH OR RANGE (A) : NULL REMARK 230 MONOCHROMATOR : NULL REMARK 230 OPTICS : NULL REMARK 230 REMARK 230 DETECTOR TYPE : NULL REMARK 230 DETECTOR MANUFACTURER : NULL REMARK 230 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 230 DATA SCALING SOFTWARE : NULL REMARK 230 REMARK 230 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 230 RESOLUTION RANGE HIGH (A) : NULL REMARK 230 RESOLUTION RANGE LOW (A) : NULL REMARK 230 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 230 REMARK 230 OVERALL. REMARK 230 COMPLETENESS FOR RANGE (%) : NULL REMARK 230 DATA REDUNDANCY : NULL REMARK 230 R MERGE (I) : NULL REMARK 230 R SYM (I) : NULL REMARK 230 FOR THE DATA SET : NULL REMARK 230 REMARK 230 IN THE HIGHEST RESOLUTION SHELL. REMARK 230 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 230 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 230 COMPLETENESS FOR SHELL (%) : NULL REMARK 230 DATA REDUNDANCY IN SHELL : NULL REMARK 230 R MERGE FOR SHELL (I) : NULL REMARK 230 R SYM FOR SHELL (I) : NULL REMARK 230 FOR SHELL : NULL REMARK 230 REMARK 230 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 230 SOFTWARE USED : CNS REMARK 230 STARTING MODEL: PDB ENTRY 1KF4 REMARK 230 REMARK 230 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 50% TERT-BUTYL ALCOHOL, TEMPERATURE REMARK 280 298K, THEN THE CRYSTAL WAS SOAKED IN HEAVY WATER SOLUTION, PH6.2, REMARK 280 FOR TWO MONTHS, BATCH REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 19.27900 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA 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 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 GLN A 60 -129.20 -107.72 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 DOD A1058 DISTANCE = 5.44 ANGSTROMS DBREF 3A1R A 1 124 UNP P61823 RNAS1_BOVIN 27 150 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL FORMUL 2 DOD *92(D2 O) HELIX 1 1 THR A 3 MET A 13 1 11 HELIX 2 2 ASN A 24 ARG A 33 1 10 HELIX 3 3 SER A 50 ALA A 56 1 7 HELIX 4 4 VAL A 57 GLN A 60 5 4 SHEET 1 A 3 VAL A 43 VAL A 47 0 SHEET 2 A 3 MET A 79 GLU A 86 -1 O CYS A 84 N ASN A 44 SHEET 3 A 3 TYR A 97 LYS A 104 -1 O THR A 100 N ASP A 83 SHEET 1 B 4 LYS A 61 VAL A 63 0 SHEET 2 B 4 CYS A 72 GLN A 74 -1 O GLN A 74 N LYS A 61 SHEET 3 B 4 ILE A 106 GLU A 111 -1 O VAL A 108 N TYR A 73 SHEET 4 B 4 VAL A 116 SER A 123 -1 O VAL A 118 N ALA A 109 SSBOND 1 CYS A 26 CYS A 84 1555 1555 2.03 SSBOND 2 CYS A 40 CYS A 95 1555 1555 2.03 SSBOND 3 CYS A 58 CYS A 110 1555 1555 2.03 SSBOND 4 CYS A 65 CYS A 72 1555 1555 2.02 CISPEP 1 TYR A 92 PRO A 93 0 0.04 CISPEP 2 ASN A 113 PRO A 114 0 0.08 CRYST1 30.380 38.558 53.398 90.00 105.78 90.00 P 1 21 1 2 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 0.032916 0.000000 0.009302 0.00000 SCALE2 0.000000 0.025935 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019461 0.00000 ATOM 1 N LYS A 1 20.862 9.003 27.980 1.00 18.62 N ATOM 2 CA LYS A 1 20.538 7.775 27.210 1.00 18.63 C ATOM 3 C LYS A 1 19.847 8.143 25.903 1.00 15.18 C ATOM 4 O LYS A 1 19.487 9.301 25.683 1.00 15.35 O ATOM 5 CB LYS A 1 19.619 6.879 28.039 1.00 21.95 C ATOM 6 CG LYS A 1 20.348 6.130 29.142 1.00 27.11 C ATOM 7 CD LYS A 1 19.543 6.130 30.435 1.00 29.54 C ATOM 8 CE LYS A 1 18.209 5.415 30.262 1.00 31.71 C ATOM 9 NZ LYS A 1 17.432 5.420 31.538 1.00 33.28 N ATOM 10 D2 LYS A 1 21.516 9.595 27.423 1.00 19.74 D ATOM 11 HA LYS A 1 21.452 7.241 26.992 1.00 18.75 H ATOM 12 HB2 LYS A 1 18.854 7.495 28.488 1.00 23.49 H ATOM 13 HB3 LYS A 1 19.147 6.164 27.381 1.00 21.65 H ATOM 14 HG2 LYS A 1 20.510 5.110 28.825 1.00 26.79 H ATOM 15 HG3 LYS A 1 21.302 6.601 29.320 1.00 26.41 H ATOM 16 HD2 LYS A 1 20.113 5.633 31.206 1.00 29.91 H ATOM 17 HD3 LYS A 1 19.358 7.149 30.734 1.00 30.31 H ATOM 18 HE2 LYS A 1 17.635 5.916 29.497 1.00 31.86 H ATOM 19 HE3 LYS A 1 18.389 4.396 29.960 1.00 32.45 H ATOM 20 N GLU A 2 19.689 7.151 25.033 1.00 12.77 N ATOM 21 CA GLU A 2 19.025 7.338 23.748 1.00 9.52 C ATOM 22 C GLU A 2 17.587 7.806 23.997 1.00 8.96 C ATOM 23 O GLU A 2 16.893 7.258 24.854 1.00 7.59 O ATOM 24 CB GLU A 2 19.023 6.010 22.990 1.00 9.21 C ATOM 25 CG GLU A 2 18.432 6.094 21.592 1.00 7.22 C ATOM 26 CD GLU A 2 18.348 4.739 20.920 1.00 7.20 C ATOM 27 OE1 GLU A 2 18.195 3.721 21.619 1.00 5.78 O ATOM 28 OE2 GLU A 2 18.418 4.696 19.675 1.00 9.95 O ATOM 29 H AGLU A 2 20.059 6.265 25.230 0.01 12.67 H ATOM 30 D BGLU A 2 20.059 6.265 25.230 0.99 12.67 D ATOM 31 HA GLU A 2 19.558 8.084 23.174 1.00 11.04 H ATOM 32 HB2 GLU A 2 20.037 5.658 22.912 1.00 9.79 H ATOM 33 HB3 GLU A 2 18.454 5.293 23.562 1.00 10.29 H ATOM 34 HG2 GLU A 2 17.438 6.509 21.656 1.00 7.20 H ATOM 35 HG3 GLU A 2 19.048 6.747 20.989 1.00 9.20 H ATOM 36 N THR A 3 17.155 8.842 23.283 1.00 7.65 N ATOM 37 CA THR A 3 15.796 9.368 23.448 1.00 8.69 C ATOM 38 C THR A 3 14.795 8.440 22.760 1.00 9.72 C ATOM 39 O THR A 3 15.175 7.622 21.931 1.00 7.59 O ATOM 40 CB THR A 3 15.675 10.770 22.832 1.00 10.70 C ATOM 41 OG1 THR A 3 15.839 10.694 21.427 1.00 11.15 O ATOM 42 CG2 THR A 3 16.710 11.737 23.353 1.00 13.95 C ATOM 43 H ATHR A 3 17.742 9.262 22.621 0.01 8.36 H ATOM 44 D BTHR A 3 17.742 9.262 22.621 0.99 8.36 D ATOM 45 HA THR A 3 15.566 9.425 24.501 1.00 8.74 H ATOM 46 HB THR A 3 14.692 11.164 23.050 1.00 10.93 H ATOM 47 DG1 THR A 3 15.718 11.561 21.033 1.00 11.79 D ATOM 48 HG21 THR A 3 17.688 11.289 23.287 1.00 14.29 H ATOM 49 HG22 THR A 3 16.494 11.975 24.383 1.00 14.63 H ATOM 50 HG23 THR A 3 16.691 12.642 22.764 1.00 14.83 H ATOM 51 N ALA A 4 13.520 8.568 23.119 1.00 9.23 N ATOM 52 CA ALA A 4 12.470 7.756 22.520 1.00 9.81 C ATOM 53 C ALA A 4 12.359 8.023 21.016 1.00 6.63 C ATOM 54 O ALA A 4 12.115 7.101 20.240 1.00 6.45 O ATOM 55 CB ALA A 4 11.146 8.042 23.205 1.00 9.92 C ATOM 56 H AALA A 4 13.269 9.173 23.846 0.19 9.76 H ATOM 57 D BALA A 4 13.269 9.173 23.846 0.81 9.76 D ATOM 58 HA ALA A 4 12.716 6.716 22.662 1.00 8.33 H ATOM 59 HB1 ALA A 4 10.354 7.513 22.698 1.00 9.81 H ATOM 60 HB2 ALA A 4 10.945 9.103 23.178 1.00 11.90 H ATOM 61 HB3 ALA A 4 11.197 7.712 24.233 1.00 10.53 H ATOM 62 N ALA A 5 12.533 9.278 20.607 1.00 7.55 N ATOM 63 CA ALA A 5 12.451 9.638 19.195 1.00 7.38 C ATOM 64 C ALA A 5 13.608 9.025 18.402 1.00 6.67 C ATOM 65 O ALA A 5 13.415 8.563 17.274 1.00 5.73 O ATOM 66 CB ALA A 5 12.451 11.154 19.037 1.00 9.34 C ATOM 67 H AALA A 5 12.712 9.984 21.261 0.24 7.48 H ATOM 68 D BALA A 5 12.712 9.984 21.261 0.76 7.48 D ATOM 69 HA ALA A 5 11.523 9.257 18.799 1.00 6.36 H ATOM 70 HB1 ALA A 5 12.294 11.407 18.000 1.00 11.92 H ATOM 71 HB2 ALA A 5 13.398 11.553 19.364 1.00 9.03 H ATOM 72 HB3 ALA A 5 11.656 11.577 19.633 1.00 10.24 H ATOM 73 N ALA A 6 14.805 9.023 18.988 1.00 7.39 N ATOM 74 CA ALA A 6 15.974 8.460 18.327 1.00 7.21 C ATOM 75 C ALA A 6 15.831 6.943 18.234 1.00 6.56 C ATOM 76 O ALA A 6 16.238 6.337 17.244 1.00 5.25 O ATOM 77 CB ALA A 6 17.239 8.825 19.095 1.00 8.17 C ATOM 78 H AALA A 6 14.903 9.340 19.912 0.02 7.16 H ATOM 79 D BALA A 6 14.903 9.340 19.912 0.98 7.16 D ATOM 80 HA ALA A 6 16.041 8.865 17.327 1.00 7.97 H ATOM 81 HB1 ALA A 6 18.102 8.405 18.597 1.00 8.65 H ATOM 82 HB2 ALA A 6 17.178 8.440 20.101 1.00 10.90 H ATOM 83 HB3 ALA A 6 17.334 9.898 19.133 1.00 8.56 H ATOM 84 N LYS A 7 15.261 6.334 19.269 1.00 5.07 N ATOM 85 CA LYS A 7 15.060 4.891 19.278 1.00 5.19 C ATOM 86 C LYS A 7 14.057 4.493 18.197 1.00 5.04 C ATOM 87 O LYS A 7 14.202 3.440 17.580 1.00 4.74 O ATOM 88 CB LYS A 7 14.559 4.419 20.647 1.00 8.09 C ATOM 89 CG LYS A 7 14.495 2.901 20.761 1.00 8.88 C ATOM 90 CD LYS A 7 14.001 2.467 22.128 1.00 16.47 C ATOM 91 CE LYS A 7 14.170 0.966 22.303 1.00 21.26 C ATOM 92 NZ LYS A 7 13.987 0.578 23.728 1.00 24.56 N ATOM 93 H ALYS A 7 14.997 6.852 20.051 0.26 5.74 H ATOM 94 D BLYS A 7 14.997 6.852 20.051 0.74 5.74 D ATOM 95 HA LYS A 7 16.005 4.415 19.067 1.00 5.80 H ATOM 96 HB2 LYS A 7 15.229 4.799 21.400 1.00 9.22 H ATOM 97 HB3 LYS A 7 13.572 4.826 20.821 1.00 7.98 H ATOM 98 HG2 LYS A 7 13.819 2.523 20.006 1.00 11.67 H ATOM 99 HG3 LYS A 7 15.481 2.490 20.591 1.00 12.01 H ATOM 100 HD2 LYS A 7 14.561 2.985 22.894 1.00 17.20 H ATOM 101 HD3 LYS A 7 12.955 2.717 22.221 1.00 17.63 H ATOM 102 HE2 LYS A 7 13.437 0.452 21.698 1.00 22.35 H ATOM 103 HE3 LYS A 7 15.159 0.679 21.981 1.00 22.16 H ATOM 104 DZ1 LYS A 7 14.170 -0.443 23.833 1.00 26.70 D ATOM 105 DZ2 LYS A 7 13.011 0.794 24.026 1.00 24.66 D ATOM 106 DZ3 LYS A 7 14.657 1.111 24.319 1.00 25.07 D ATOM 107 N PHE A 8 13.048 5.333 17.963 1.00 5.84 N ATOM 108 CA PHE A 8 12.048 5.045 16.936 1.00 4.34 C ATOM 109 C PHE A 8 12.714 5.037 15.558 1.00 5.52 C ATOM 110 O PHE A 8 12.368 4.218 14.706 1.00 4.84 O ATOM 111 CB PHE A 8 10.916 6.085 16.959 1.00 4.02 C ATOM 112 CG PHE A 8 9.897 5.897 15.851 1.00 4.95 C ATOM 113 CD1 PHE A 8 10.067 6.521 14.627 1.00 4.88 C ATOM 114 CD2 PHE A 8 8.784 5.088 16.038 1.00 6.11 C ATOM 115 CE1 PHE A 8 9.154 6.347 13.609 1.00 5.32 C ATOM 116 CE2 PHE A 8 7.857 4.910 15.017 1.00 6.30 C ATOM 117 CZ PHE A 8 8.044 5.539 13.801 1.00 5.81 C ATOM 118 H APHE A 8 12.979 6.168 18.471 0.41 4.55 H ATOM 119 D BPHE A 8 12.979 6.168 18.471 0.59 4.55 D ATOM 120 HA PHE A 8 11.627 4.064 17.127 1.00 5.78 H ATOM 121 HB2 PHE A 8 10.405 6.025 17.910 1.00 6.12 H ATOM 122 HB3 PHE A 8 11.353 7.070 16.870 1.00 6.54 H ATOM 123 HD1 PHE A 8 10.925 7.156 14.471 1.00 3.92 H ATOM 124 HD2 PHE A 8 8.634 4.599 16.988 1.00 6.96 H ATOM 125 HE1 PHE A 8 9.301 6.850 12.663 1.00 8.13 H ATOM 126 HE2 PHE A 8 6.993 4.279 15.178 1.00 6.53 H ATOM 127 HZ PHE A 8 7.329 5.405 13.001 1.00 6.32 H ATOM 128 N GLU A 9 13.642 5.962 15.327 1.00 5.15 N ATOM 129 CA GLU A 9 14.335 6.025 14.039 1.00 5.41 C ATOM 130 C GLU A 9 15.212 4.790 13.843 1.00 4.83 C ATOM 131 O GLU A 9 15.219 4.194 12.770 1.00 5.04 O ATOM 132 CB GLU A 9 15.225 7.264 13.951 1.00 10.18 C ATOM 133 CG GLU A 9 14.469 8.576 13.906 1.00 14.86 C ATOM 134 CD GLU A 9 15.401 9.760 13.717 1.00 15.29 C ATOM 135 OE1 GLU A 9 15.294 10.732 14.496 1.00 17.83 O ATOM 136 OE2 GLU A 9 16.247 9.719 12.797 1.00 16.39 O ATOM 137 H AGLU A 9 13.872 6.601 16.035 0.77 5.33 H ATOM 138 D BGLU A 9 13.872 6.601 16.035 0.23 5.33 D ATOM 139 HA GLU A 9 13.601 6.060 13.248 1.00 6.78 H ATOM 140 HB2 GLU A 9 15.880 7.281 14.807 1.00 10.71 H ATOM 141 HB3 GLU A 9 15.829 7.182 13.061 1.00 13.50 H ATOM 142 HG2 GLU A 9 13.757 8.549 13.097 1.00 14.65 H ATOM 143 HG3 GLU A 9 13.937 8.700 14.833 1.00 15.77 H ATOM 144 N ARG A 10 15.942 4.411 14.890 1.00 3.65 N ATOM 145 CA ARG A 10 16.832 3.256 14.841 1.00 5.37 C ATOM 146 C ARG A 10 16.068 1.947 14.655 1.00 4.62 C ATOM 147 O ARG A 10 16.511 1.075 13.913 1.00 6.72 O ATOM 148 CB ARG A 10 17.661 3.172 16.136 1.00 5.52 C ATOM 149 CG ARG A 10 18.587 1.949 16.176 1.00 6.52 C ATOM 150 CD ARG A 10 19.549 1.979 17.363 1.00 7.60 C ATOM 151 NE ARG A 10 18.871 1.998 18.656 1.00 6.92 N ATOM 152 CZ ARG A 10 18.399 0.931 19.291 1.00 10.50 C ATOM 153 NH1 ARG A 10 18.514 -0.281 18.766 1.00 12.55 N ATOM 154 NH2 ARG A 10 17.852 1.072 20.491 1.00 13.03 N ATOM 155 H AARG A 10 15.848 4.904 15.730 0.75 2.87 H ATOM 156 D BARG A 10 15.848 4.904 15.730 0.25 2.87 D ATOM 157 HA ARG A 10 17.509 3.378 14.008 1.00 5.09 H ATOM 158 HB2 ARG A 10 18.261 4.067 16.227 1.00 7.38 H ATOM 159 HB3 ARG A 10 16.984 3.121 16.979 1.00 7.11 H ATOM 160 HG2 ARG A 10 17.987 1.052 16.227 1.00 9.75 H ATOM 161 HG3 ARG A 10 19.167 1.927 15.265 1.00 7.80 H ATOM 162 HD2 ARG A 10 20.178 1.107 17.319 1.00 6.95 H ATOM 163 HD3 ARG A 10 20.172 2.859 17.283 1.00 6.73 H ATOM 164 DE ARG A 10 18.758 2.844 19.124 1.00 7.85 D ATOM 165 DH11 ARG A 10 18.954 -0.405 17.879 1.00 15.50 D ATOM 166 DH12 ARG A 10 18.139 -1.071 19.255 1.00 13.36 D ATOM 167 DH21 ARG A 10 17.496 0.275 20.973 1.00 14.12 D ATOM 168 DH22 ARG A 10 17.807 1.973 20.918 1.00 11.95 D ATOM 169 N GLN A 11 14.911 1.818 15.298 1.00 4.71 N ATOM 170 CA GLN A 11 14.139 0.578 15.208 1.00 5.77 C ATOM 171 C GLN A 11 13.169 0.486 14.030 1.00 5.56 C ATOM 172 O GLN A 11 12.876 -0.612 13.571 1.00 4.58 O ATOM 173 CB GLN A 11 13.288 0.385 16.473 1.00 8.07 C ATOM 174 CG GLN A 11 14.080 0.192 17.752 1.00 13.00 C ATOM 175 CD GLN A 11 13.232 -0.378 18.878 1.00 15.73 C ATOM 176 OE1 GLN A 11 13.600 -1.375 19.497 1.00 19.41 O ATOM 177 NE2 GLN A 11 12.111 0.270 19.170 1.00 19.04 N ATOM 178 H AGLN A 11 14.559 2.556 15.830 0.91 4.93 H ATOM 179 D BGLN A 11 14.559 2.556 15.830 0.09 4.93 D ATOM 180 HA GLN A 11 14.832 -0.251 15.148 1.00 6.10 H ATOM 181 HB2 GLN A 11 12.648 1.249 16.592 1.00 8.88 H ATOM 182 HB3 GLN A 11 12.657 -0.483 16.326 1.00 10.37 H ATOM 183 HG2 GLN A 11 14.894 -0.487 17.556 1.00 11.77 H ATOM 184 HG3 GLN A 11 14.484 1.142 18.064 1.00 13.76 H ATOM 185 DE21 GLN A 11 11.526 -0.108 19.855 1.00 21.63 D ATOM 186 DE22 GLN A 11 11.906 1.097 18.685 1.00 22.22 D ATOM 187 N HIS A 12 12.700 1.619 13.510 1.00 4.03 N ATOM 188 CA HIS A 12 11.661 1.573 12.479 1.00 3.46 C ATOM 189 C HIS A 12 11.856 2.357 11.184 1.00 5.38 C ATOM 190 O HIS A 12 10.943 2.371 10.362 1.00 7.40 O ATOM 191 CB HIS A 12 10.354 2.060 13.105 1.00 5.17 C ATOM 192 CG HIS A 12 9.916 1.256 14.289 1.00 6.24 C ATOM 193 ND1 HIS A 12 9.528 -0.063 14.200 1.00 7.22 N ATOM 194 CD2 HIS A 12 9.801 1.586 15.598 1.00 5.77 C ATOM 195 CE1 HIS A 12 9.195 -0.513 15.395 1.00 8.41 C ATOM 196 NE2 HIS A 12 9.354 0.472 16.261 1.00 9.76 N ATOM 197 H AHIS A 12 13.059 2.477 13.792 0.77 1.41 H ATOM 198 D BHIS A 12 13.059 2.477 13.792 0.23 1.41 D ATOM 199 HA HIS A 12 11.505 0.543 12.204 1.00 2.84 H ATOM 200 HB2 HIS A 12 10.487 3.087 13.419 1.00 6.18 H ATOM 201 HB3 HIS A 12 9.577 2.028 12.354 1.00 4.85 H ATOM 202 DD1 HIS A 12 9.500 -0.594 13.381 1.00 9.41 D ATOM 203 HD2 HIS A 12 9.999 2.554 16.034 1.00 7.27 H ATOM 204 HE1 HIS A 12 8.829 -1.500 15.621 1.00 9.90 H ATOM 205 DE2 HIS A 12 9.178 0.410 17.221 1.00 10.57 D ATOM 206 N MET A 13 12.991 3.013 10.982 1.00 4.50 N ATOM 207 CA MET A 13 13.168 3.776 9.742 1.00 5.45 C ATOM 208 C MET A 13 14.275 3.249 8.830 1.00 6.66 C ATOM 209 O MET A 13 15.380 2.966 9.285 1.00 7.14 O ATOM 210 CB MET A 13 13.480 5.244 10.059 1.00 7.28 C ATOM 211 CG MET A 13 12.310 6.005 10.673 1.00 6.78 C ATOM 212 SD MET A 13 10.877 6.028 9.585 1.00 11.10 S ATOM 213 CE MET A 13 11.561 6.867 8.151 1.00 10.54 C ATOM 214 H AMET A 13 13.656 3.043 11.694 0.99 4.02 H ATOM 215 D BMET A 13 13.656 3.043 11.694 0.01 4.02 D ATOM 216 HA MET A 13 12.239 3.746 9.194 1.00 6.59 H ATOM 217 HB2 MET A 13 14.314 5.278 10.744 1.00 6.72 H ATOM 218 HB3 MET A 13 13.770 5.739 9.141 1.00 5.52 H ATOM 219 HG2 MET A 13 12.042 5.528 11.606 1.00 8.56 H ATOM 220 HG3 MET A 13 12.609 7.022 10.868 1.00 11.14 H ATOM 221 HE1 MET A 13 10.761 7.172 7.491 1.00 10.99 H ATOM 222 HE2 MET A 13 12.229 6.198 7.626 1.00 12.25 H ATOM 223 HE3 MET A 13 12.109 7.738 8.479 1.00 12.53 H ATOM 224 N ASP A 14 13.953 3.104 7.546 1.00 5.61 N ATOM 225 CA ASP A 14 14.933 2.696 6.539 1.00 5.19 C ATOM 226 C ASP A 14 14.632 3.475 5.258 1.00 5.22 C ATOM 227 O ASP A 14 14.077 2.945 4.297 1.00 5.82 O ATOM 228 CB ASP A 14 14.913 1.186 6.263 1.00 5.29 C ATOM 229 CG ASP A 14 16.075 0.747 5.369 1.00 7.78 C ATOM 230 OD1 ASP A 14 17.045 1.514 5.222 1.00 10.54 O ATOM 231 OD2 ASP A 14 16.022 -0.362 4.804 1.00 6.47 O ATOM 232 H AASP A 14 13.027 3.242 7.276 0.68 5.33 H ATOM 233 D BASP A 14 13.027 3.242 7.276 0.32 5.33 D ATOM 234 HA ASP A 14 15.918 2.975 6.887 1.00 7.53 H ATOM 235 HB2 ASP A 14 14.980 0.661 7.205 1.00 7.46 H ATOM 236 HB3 ASP A 14 13.981 0.922 5.781 1.00 7.37 H ATOM 237 N SER A 15 15.024 4.745 5.273 1.00 6.06 N ATOM 238 CA SER A 15 14.821 5.661 4.155 1.00 8.49 C ATOM 239 C SER A 15 15.826 5.417 3.026 1.00 9.38 C ATOM 240 O SER A 15 15.699 6.009 1.953 1.00 8.78 O ATOM 241 CB SER A 15 14.990 7.100 4.649 1.00 8.23 C ATOM 242 OG SER A 15 14.208 7.341 5.807 1.00 12.23 O ATOM 243 H ASER A 15 15.463 5.068 6.089 0.02 6.51 H ATOM 244 D BSER A 15 15.463 5.068 6.089 0.98 6.51 D ATOM 245 HA SER A 15 13.816 5.541 3.768 1.00 8.63 H ATOM 246 HB2 SER A 15 16.029 7.270 4.886 1.00 12.01 H ATOM 247 HB3 SER A 15 14.690 7.784 3.866 1.00 10.32 H ATOM 248 DG SER A 15 13.382 7.762 5.565 1.00 12.33 D ATOM 249 N SER A 16 16.807 4.542 3.253 1.00 10.68 N ATOM 250 CA SER A 16 17.835 4.273 2.248 1.00 12.06 C ATOM 251 C SER A 16 17.405 3.263 1.182 1.00 11.14 C ATOM 252 O SER A 16 18.097 3.098 0.176 1.00 12.16 O ATOM 253 CB SER A 16 19.116 3.775 2.926 1.00 13.57 C ATOM 254 OG SER A 16 19.033 2.392 3.238 1.00 16.57 O ATOM 255 H ASER A 16 16.855 4.042 4.096 0.01 10.73 H ATOM 256 D BSER A 16 16.855 4.042 4.096 0.99 10.73 D ATOM 257 HA SER A 16 18.063 5.204 1.752 1.00 10.93 H ATOM 258 HB2 SER A 16 19.951 3.935 2.264 1.00 13.91 H ATOM 259 HB3 SER A 16 19.274 4.335 3.836 1.00 16.21 H ATOM 260 DG SER A 16 18.476 2.267 4.008 1.00 20.26 D ATOM 261 N THR A 17 16.300 2.560 1.414 1.00 10.67 N ATOM 262 CA THR A 17 15.804 1.590 0.448 1.00 8.88 C ATOM 263 C THR A 17 14.315 1.820 0.263 1.00 8.47 C ATOM 264 O THR A 17 13.639 2.305 1.169 1.00 8.81 O ATOM 265 CB THR A 17 16.053 0.150 0.925 1.00 10.78 C ATOM 266 OG1 THR A 17 15.323 -0.111 2.107 1.00 8.34 O ATOM 267 CG2 THR A 17 17.501 -0.115 1.222 1.00 13.00 C ATOM 268 H ATHR A 17 15.757 2.714 2.217 0.01 10.40 H ATOM 269 D BTHR A 17 15.757 2.714 2.217 0.99 10.40 D ATOM 270 HA THR A 17 16.304 1.744 -0.497 1.00 8.35 H ATOM 271 HB THR A 17 15.725 -0.534 0.157 1.00 11.49 H ATOM 272 DG1 THR A 17 15.836 0.158 2.871 1.00 9.71 D ATOM 273 HG21 THR A 17 18.012 -0.388 0.311 1.00 15.44 H ATOM 274 HG22 THR A 17 17.580 -0.918 1.935 1.00 13.65 H ATOM 275 HG23 THR A 17 17.951 0.777 1.634 1.00 13.75 H ATOM 276 N SER A 18 13.819 1.497 -0.926 1.00 9.38 N ATOM 277 CA SER A 18 12.411 1.672 -1.242 1.00 10.23 C ATOM 278 C SER A 18 11.568 0.465 -0.840 1.00 8.60 C ATOM 279 O SER A 18 10.349 0.569 -0.728 1.00 7.91 O ATOM 280 CB SER A 18 12.261 1.928 -2.740 1.00 13.20 C ATOM 281 OG SER A 18 12.749 3.218 -3.077 1.00 17.19 O ATOM 282 H ASER A 18 14.427 1.215 -1.635 0.12 9.39 H ATOM 283 D BSER A 18 14.427 1.215 -1.635 0.88 9.39 D ATOM 284 HA SER A 18 12.045 2.537 -0.710 1.00 11.50 H ATOM 285 HB2 SER A 18 12.823 1.186 -3.285 1.00 14.98 H ATOM 286 HB3 SER A 18 11.220 1.857 -3.011 1.00 13.09 H ATOM 287 DG SER A 18 13.669 3.296 -2.815 1.00 22.26 D ATOM 288 N ALA A 19 12.224 -0.675 -0.640 1.00 7.71 N ATOM 289 CA ALA A 19 11.557 -1.914 -0.250 1.00 9.99 C ATOM 290 C ALA A 19 12.610 -2.976 0.028 1.00 9.48 C ATOM 291 O ALA A 19 13.773 -2.823 -0.358 1.00 9.69 O ATOM 292 CB ALA A 19 10.642 -2.395 -1.369 1.00 9.96 C ATOM 293 H AALA A 19 13.198 -0.695 -0.770 0.01 8.67 H ATOM 294 D BALA A 19 13.198 -0.695 -0.770 0.99 8.67 D ATOM 295 HA ALA A 19 10.973 -1.741 0.640 1.00 9.44 H ATOM 296 HB1 ALA A 19 9.798 -1.729 -1.456 1.00 9.72 H ATOM 297 HB2 ALA A 19 10.291 -3.394 -1.147 1.00 10.75 H ATOM 298 HB3 ALA A 19 11.190 -2.404 -2.298 1.00 12.14 H ATOM 299 N ALA A 20 12.205 -4.039 0.719 1.00 8.18 N ATOM 300 CA ALA A 20 13.098 -5.154 1.003 1.00 10.04 C ATOM 301 C ALA A 20 13.373 -5.822 -0.344 1.00 11.68 C ATOM 302 O ALA A 20 12.442 -6.119 -1.089 1.00 12.24 O ATOM 303 CB ALA A 20 12.436 -6.129 1.956 1.00 10.29 C ATOM 304 H AALA A 20 11.290 -4.057 1.062 0.09 9.04 H ATOM 305 D BALA A 20 11.290 -4.057 1.062 0.91 9.04 D ATOM 306 HA ALA A 20 14.025 -4.787 1.424 1.00 9.31 H ATOM 307 HB1 ALA A 20 13.154 -6.875 2.258 1.00 10.68 H ATOM 308 HB2 ALA A 20 11.608 -6.610 1.456 1.00 10.93 H ATOM 309 HB3 ALA A 20 12.078 -5.600 2.827 1.00 11.81 H ATOM 310 N SER A 21 14.647 -6.041 -0.655 1.00 13.14 N ATOM 311 CA SER A 21 15.029 -6.626 -1.943 1.00 14.57 C ATOM 312 C SER A 21 15.294 -8.137 -1.935 1.00 13.28 C ATOM 313 O SER A 21 15.478 -8.736 -2.998 1.00 12.96 O ATOM 314 CB SER A 21 16.267 -5.903 -2.471 1.00 16.55 C ATOM 315 OG SER A 21 17.336 -5.974 -1.545 1.00 18.30 O ATOM 316 H ASER A 21 15.326 -5.759 -0.008 0.01 13.20 H ATOM 317 D BSER A 21 15.326 -5.759 -0.008 0.99 13.20 D ATOM 318 HA SER A 21 14.225 -6.440 -2.639 1.00 16.56 H ATOM 319 HB2 SER A 21 16.575 -6.360 -3.397 1.00 15.27 H ATOM 320 HB3 SER A 21 16.017 -4.868 -2.653 1.00 16.39 H ATOM 321 DG SER A 21 17.132 -5.438 -0.777 1.00 23.56 D ATOM 322 N SER A 22 15.319 -8.754 -0.758 1.00 11.58 N ATOM 323 CA SER A 22 15.555 -10.194 -0.672 1.00 10.48 C ATOM 324 C SER A 22 14.997 -10.736 0.635 1.00 9.08 C ATOM 325 O SER A 22 14.610 -9.974 1.525 1.00 8.32 O ATOM 326 CB SER A 22 17.050 -10.509 -0.751 1.00 11.61 C ATOM 327 OG SER A 22 17.717 -10.099 0.425 1.00 11.79 O ATOM 328 H ASER A 22 15.120 -8.260 0.060 0.01 11.77 H ATOM 329 D BSER A 22 15.120 -8.260 0.060 0.99 11.77 D ATOM 330 HA SER A 22 15.051 -10.681 -1.499 1.00 11.30 H ATOM 331 HB2 SER A 22 17.178 -11.574 -0.876 1.00 12.15 H ATOM 332 HB3 SER A 22 17.476 -9.998 -1.604 1.00 12.37 H ATOM 333 DG SER A 22 18.645 -10.345 0.364 1.00 17.14 D ATOM 334 N SER A 23 14.998 -12.060 0.760 1.00 9.00 N ATOM 335 CA SER A 23 14.476 -12.719 1.949 1.00 8.93 C ATOM 336 C SER A 23 15.360 -12.524 3.183 1.00 7.95 C ATOM 337 O SER A 23 14.920 -12.786 4.299 1.00 9.86 O ATOM 338 CB SER A 23 14.305 -14.212 1.671 1.00 10.18 C ATOM 339 OG SER A 23 15.559 -14.863 1.560 1.00 12.92 O ATOM 340 H ASER A 23 15.347 -12.606 0.026 0.14 8.87 H ATOM 341 D BSER A 23 15.347 -12.606 0.026 0.86 8.87 D ATOM 342 HA SER A 23 13.502 -12.307 2.167 1.00 8.75 H ATOM 343 HB2 SER A 23 13.751 -14.655 2.480 1.00 9.93 H ATOM 344 HB3 SER A 23 13.751 -14.341 0.750 1.00 10.74 H ATOM 345 DG SER A 23 16.119 -14.385 0.946 1.00 17.82 D ATOM 346 N ASN A 24 16.596 -12.070 2.983 1.00 8.36 N ATOM 347 CA ASN A 24 17.532 -11.848 4.086 1.00 10.20 C ATOM 348 C ASN A 24 17.520 -10.426 4.650 1.00 8.12 C ATOM 349 O ASN A 24 18.296 -10.124 5.560 1.00 7.51 O ATOM 350 CB ASN A 24 18.954 -12.162 3.620 1.00 14.26 C ATOM 351 CG ASN A 24 19.312 -13.622 3.786 1.00 16.78 C ATOM 352 OD1 ASN A 24 19.139 -14.199 4.861 1.00 22.00 O ATOM 353 ND2 ASN A 24 19.869 -14.215 2.736 1.00 22.82 N ATOM 354 H AASN A 24 16.927 -11.943 2.073 0.01 8.85 H ATOM 355 D BASN A 24 16.927 -11.943 2.073 0.99 8.85 D ATOM 356 HA ASN A 24 17.285 -12.530 4.887 1.00 9.90 H ATOM 357 HB2 ASN A 24 19.045 -11.902 2.577 1.00 15.89 H ATOM 358 HB3 ASN A 24 19.647 -11.564 4.190 1.00 13.77 H ATOM 359 N TYR A 25 16.643 -9.564 4.139 1.00 7.27 N ATOM 360 CA TYR A 25 16.577 -8.179 4.602 1.00 5.94 C ATOM 361 C TYR A 25 16.389 -8.074 6.117 1.00 5.71 C ATOM 362 O TYR A 25 17.133 -7.355 6.778 1.00 5.58 O ATOM 363 CB TYR A 25 15.439 -7.447 3.881 1.00 5.05 C ATOM 364 CG TYR A 25 15.173 -6.051 4.412 1.00 6.84 C ATOM 365 CD1 TYR A 25 14.297 -5.855 5.472 1.00 5.96 C ATOM 366 CD2 TYR A 25 15.786 -4.936 3.853 1.00 6.63 C ATOM 367 CE1 TYR A 25 14.040 -4.597 5.964 1.00 7.81 C ATOM 368 CE2 TYR A 25 15.527 -3.653 4.350 1.00 6.13 C ATOM 369 CZ TYR A 25 14.648 -3.505 5.409 1.00 5.19 C ATOM 370 OH TYR A 25 14.348 -2.273 5.945 1.00 7.93 O ATOM 371 H ATYR A 25 16.045 -9.827 3.408 0.12 7.24 H ATOM 372 D BTYR A 25 16.045 -9.827 3.408 0.88 7.24 D ATOM 373 HA TYR A 25 17.507 -7.691 4.343 1.00 8.43 H ATOM 374 HB2 TYR A 25 15.681 -7.375 2.830 1.00 5.97 H ATOM 375 HB3 TYR A 25 14.537 -8.034 3.980 1.00 6.97 H ATOM 376 HD1 TYR A 25 13.811 -6.709 5.925 1.00 6.87 H ATOM 377 HD2 TYR A 25 16.467 -5.065 3.023 1.00 8.11 H ATOM 378 HE1 TYR A 25 13.360 -4.470 6.793 1.00 7.84 H ATOM 379 HE2 TYR A 25 16.008 -2.788 3.911 1.00 8.54 H ATOM 380 DH TYR A 25 14.887 -1.608 5.536 1.00 8.15 D ATOM 381 N CYS A 26 15.418 -8.796 6.672 1.00 5.68 N ATOM 382 CA CYS A 26 15.158 -8.723 8.107 1.00 5.79 C ATOM 383 C CYS A 26 16.298 -9.269 8.960 1.00 6.34 C ATOM 384 O CYS A 26 16.608 -8.699 10.001 1.00 6.50 O ATOM 385 CB CYS A 26 13.860 -9.451 8.443 1.00 6.27 C ATOM 386 SG CYS A 26 12.365 -8.557 7.924 1.00 5.38 S ATOM 387 H ACYS A 26 14.826 -9.345 6.123 0.04 5.78 H ATOM 388 D BCYS A 26 14.826 -9.345 6.123 0.96 5.78 D ATOM 389 HA CYS A 26 15.030 -7.682 8.370 1.00 5.54 H ATOM 390 HB2 CYS A 26 13.846 -10.409 7.946 1.00 5.46 H ATOM 391 HB3 CYS A 26 13.793 -9.599 9.512 1.00 5.03 H ATOM 392 N ASN A 27 16.889 -10.389 8.559 1.00 8.42 N ATOM 393 CA ASN A 27 18.003 -10.961 9.319 1.00 7.78 C ATOM 394 C ASN A 27 19.161 -9.961 9.420 1.00 8.69 C ATOM 395 O ASN A 27 19.805 -9.848 10.467 1.00 7.94 O ATOM 396 CB ASN A 27 18.505 -12.240 8.653 1.00 9.28 C ATOM 397 CG ASN A 27 17.549 -13.400 8.833 1.00 10.12 C ATOM 398 OD1 ASN A 27 16.705 -13.387 9.727 1.00 12.96 O ATOM 399 ND2 ASN A 27 17.660 -14.401 7.967 1.00 16.57 N ATOM 400 H AASN A 27 16.522 -10.866 7.792 0.01 7.71 H ATOM 401 D BASN A 27 16.522 -10.866 7.792 0.99 7.71 D ATOM 402 HA ASN A 27 17.658 -11.202 10.318 1.00 8.67 H ATOM 403 HB2 ASN A 27 18.629 -12.053 7.599 1.00 9.46 H ATOM 404 HB3 ASN A 27 19.463 -12.506 9.077 1.00 9.75 H ATOM 405 DD21 ASN A 27 17.077 -15.182 8.072 1.00 17.65 D ATOM 406 DD22 ASN A 27 18.326 -14.324 7.251 1.00 19.54 D ATOM 407 N GLN A 28 19.412 -9.224 8.342 1.00 8.34 N ATOM 408 CA GLN A 28 20.500 -8.255 8.325 1.00 10.00 C ATOM 409 C GLN A 28 20.157 -6.964 9.072 1.00 7.31 C ATOM 410 O GLN A 28 20.971 -6.467 9.844 1.00 8.49 O ATOM 411 CB GLN A 28 20.889 -7.926 6.882 1.00 15.70 C ATOM 412 CG GLN A 28 22.124 -7.021 6.792 1.00 21.85 C ATOM 413 CD GLN A 28 22.572 -6.779 5.361 1.00 24.46 C ATOM 414 OE1 GLN A 28 23.199 -7.640 4.740 1.00 25.89 O ATOM 415 NE2 GLN A 28 22.296 -5.584 4.848 1.00 28.77 N ATOM 416 H AGLN A 28 18.910 -9.366 7.512 0.01 8.95 H ATOM 417 D BGLN A 28 18.910 -9.366 7.512 0.99 8.95 D ATOM 418 HA GLN A 28 21.353 -8.705 8.807 1.00 7.84 H ATOM 419 HB2 GLN A 28 21.091 -8.848 6.358 1.00 18.77 H ATOM 420 HB3 GLN A 28 20.056 -7.429 6.406 1.00 17.58 H ATOM 421 HG2 GLN A 28 21.892 -6.071 7.249 1.00 22.24 H ATOM 422 HG3 GLN A 28 22.934 -7.482 7.338 1.00 22.32 H ATOM 423 N MET A 29 18.946 -6.445 8.881 1.00 6.39 N ATOM 424 CA MET A 29 18.539 -5.201 9.541 1.00 6.23 C ATOM 425 C MET A 29 18.285 -5.353 11.047 1.00 6.59 C ATOM 426 O MET A 29 18.601 -4.445 11.818 1.00 6.83 O ATOM 427 CB MET A 29 17.282 -4.649 8.871 1.00 7.56 C ATOM 428 CG MET A 29 17.548 -4.099 7.472 1.00 9.68 C ATOM 429 SD MET A 29 18.739 -2.749 7.481 1.00 13.42 S ATOM 430 CE MET A 29 17.724 -1.410 8.099 1.00 15.31 C ATOM 431 H AMET A 29 18.299 -6.939 8.339 0.70 5.71 H ATOM 432 D BMET A 29 18.299 -6.939 8.339 0.30 5.71 D ATOM 433 HA MET A 29 19.333 -4.474 9.407 1.00 7.30 H ATOM 434 HB2 MET A 29 16.552 -5.444 8.800 1.00 7.64 H ATOM 435 HB3 MET A 29 16.877 -3.858 9.490 1.00 6.93 H ATOM 436 HG2 MET A 29 17.919 -4.901 6.844 1.00 10.94 H ATOM 437 HG3 MET A 29 16.624 -3.729 7.060 1.00 12.47 H ATOM 438 HE1 MET A 29 16.802 -1.367 7.540 1.00 16.59 H ATOM 439 HE2 MET A 29 18.252 -0.475 7.989 1.00 16.23 H ATOM 440 HE3 MET A 29 17.503 -1.576 9.142 1.00 16.96 H ATOM 441 N MET A 30 17.706 -6.478 11.467 1.00 5.82 N ATOM 442 CA MET A 30 17.442 -6.702 12.891 1.00 6.68 C ATOM 443 C MET A 30 18.748 -6.764 13.663 1.00 7.09 C ATOM 444 O MET A 30 18.820 -6.331 14.812 1.00 8.06 O ATOM 445 CB MET A 30 16.649 -7.995 13.103 1.00 7.39 C ATOM 446 CG MET A 30 15.195 -7.881 12.635 1.00 7.30 C ATOM 447 SD MET A 30 14.295 -6.603 13.523 1.00 7.63 S ATOM 448 CE MET A 30 13.800 -7.482 14.996 1.00 9.97 C ATOM 449 H AMET A 30 17.448 -7.146 10.804 0.93 7.50 H ATOM 450 D BMET A 30 17.448 -7.146 10.804 0.07 7.50 D ATOM 451 HA MET A 30 16.858 -5.875 13.266 1.00 7.81 H ATOM 452 HB2 MET A 30 17.131 -8.793 12.556 1.00 6.27 H ATOM 453 HB3 MET A 30 16.659 -8.242 14.157 1.00 5.16 H ATOM 454 HG2 MET A 30 15.184 -7.643 11.575 1.00 3.17 H ATOM 455 HG3 MET A 30 14.692 -8.821 12.792 1.00 7.86 H ATOM 456 HE1 MET A 30 13.274 -6.806 15.655 1.00 11.21 H ATOM 457 HE2 MET A 30 14.674 -7.872 15.498 1.00 10.94 H ATOM 458 HE3 MET A 30 13.147 -8.299 14.725 1.00 12.22 H ATOM 459 N LYS A 31 19.787 -7.276 13.017 1.00 7.32 N ATOM 460 CA LYS A 31 21.098 -7.383 13.641 1.00 9.08 C ATOM 461 C LYS A 31 21.851 -6.051 13.580 1.00 8.67 C ATOM 462 O LYS A 31 22.413 -5.607 14.578 1.00 8.75 O ATOM 463 CB LYS A 31 21.914 -8.472 12.940 1.00 13.68 C ATOM 464 CG LYS A 31 23.255 -8.738 13.606 1.00 19.85 C ATOM 465 CD LYS A 31 24.079 -9.734 12.803 1.00 24.85 C ATOM 466 CE LYS A 31 25.454 -9.927 13.425 1.00 29.14 C ATOM 467 NZ LYS A 31 26.325 -10.769 12.553 1.00 32.11 N ATOM 468 H ALYS A 31 19.660 -7.623 12.113 0.01 7.83 H ATOM 469 D BLYS A 31 19.660 -7.623 12.113 0.99 7.83 D ATOM 470 HA LYS A 31 20.972 -7.656 14.679 1.00 10.24 H ATOM 471 HB2 LYS A 31 21.340 -9.387 12.938 1.00 13.73 H ATOM 472 HB3 LYS A 31 22.087 -8.171 11.917 1.00 13.55 H ATOM 473 HG2 LYS A 31 23.801 -7.809 13.687 1.00 20.43 H ATOM 474 HG3 LYS A 31 23.084 -9.138 14.593 1.00 20.36 H ATOM 475 HD2 LYS A 31 23.564 -10.682 12.779 1.00 25.40 H ATOM 476 HD3 LYS A 31 24.196 -9.369 11.795 1.00 24.82 H ATOM 477 HE2 LYS A 31 25.917 -8.962 13.561 1.00 29.13 H ATOM 478 HE3 LYS A 31 25.344 -10.407 14.386 1.00 30.42 H ATOM 479 DZ1 LYS A 31 25.882 -11.702 12.410 1.00 31.66 D ATOM 480 DZ2 LYS A 31 26.444 -10.300 11.630 1.00 32.49 D ATOM 481 DZ3 LYS A 31 27.255 -10.888 13.006 1.00 32.35 D ATOM 482 N SER A 32 21.844 -5.414 12.412 1.00 7.44 N ATOM 483 CA SER A 32 22.540 -4.146 12.196 1.00 10.07 C ATOM 484 C SER A 32 22.043 -3.012 13.094 1.00 8.39 C ATOM 485 O SER A 32 22.839 -2.182 13.543 1.00 7.99 O ATOM 486 CB SER A 32 22.366 -3.727 10.742 1.00 12.42 C ATOM 487 OG SER A 32 23.017 -2.495 10.488 1.00 20.41 O ATOM 488 H ASER A 32 21.354 -5.790 11.660 0.34 10.04 H ATOM 489 D BSER A 32 21.354 -5.790 11.660 0.66 10.04 D ATOM 490 HA SER A 32 23.593 -4.294 12.384 1.00 9.58 H ATOM 491 HB2 SER A 32 22.781 -4.490 10.104 1.00 15.93 H ATOM 492 HB3 SER A 32 21.311 -3.626 10.537 1.00 15.32 H ATOM 493 N ARG A 33 20.734 -2.971 13.336 1.00 7.40 N ATOM 494 CA ARG A 33 20.132 -1.926 14.161 1.00 6.13 C ATOM 495 C ARG A 33 20.163 -2.258 15.651 1.00 5.96 C ATOM 496 O ARG A 33 19.574 -1.540 16.462 1.00 6.73 O ATOM 497 CB ARG A 33 18.690 -1.664 13.713 1.00 5.67 C ATOM 498 CG ARG A 33 18.589 -1.108 12.293 1.00 5.94 C ATOM 499 CD ARG A 33 19.280 0.248 12.164 1.00 7.52 C ATOM 500 NE ARG A 33 19.132 0.796 10.818 1.00 9.79 N ATOM 501 CZ ARG A 33 18.070 1.476 10.395 1.00 9.42 C ATOM 502 NH1 ARG A 33 17.049 1.707 11.209 1.00 7.97 N ATOM 503 NH2 ARG A 33 18.035 1.945 9.156 1.00 9.47 N ATOM 504 H AARG A 33 20.167 -3.663 12.941 0.21 7.72 H ATOM 505 D BARG A 33 20.167 -3.663 12.941 0.79 7.72 D ATOM 506 HA ARG A 33 20.697 -1.021 14.019 1.00 6.41 H ATOM 507 HB2 ARG A 33 18.133 -2.589 13.761 1.00 7.42 H ATOM 508 HB3 ARG A 33 18.239 -0.956 14.396 1.00 6.74 H ATOM 509 HG2 ARG A 33 19.050 -1.804 11.606 1.00 6.57 H ATOM 510 HG3 ARG A 33 17.548 -0.997 12.033 1.00 6.30 H ATOM 511 HD2 ARG A 33 18.848 0.937 12.874 1.00 7.77 H ATOM 512 HD3 ARG A 33 20.331 0.132 12.382 1.00 7.77 H ATOM 513 DE ARG A 33 19.831 0.642 10.155 1.00 7.03 D ATOM 514 DH11 ARG A 33 17.070 1.378 12.145 1.00 12.32 D ATOM 515 DH12 ARG A 33 16.258 2.208 10.879 1.00 10.87 D ATOM 516 DH21 ARG A 33 17.232 2.437 8.834 1.00 10.95 D ATOM 517 DH22 ARG A 33 18.814 1.806 8.547 1.00 11.49 D ATOM 518 N ASN A 34 20.857 -3.341 15.995 1.00 6.36 N ATOM 519 CA ASN A 34 21.035 -3.794 17.377 1.00 8.72 C ATOM 520 C ASN A 34 19.730 -4.150 18.089 1.00 9.69 C ATOM 521 O ASN A 34 19.553 -3.841 19.268 1.00 10.27 O ATOM 522 CB ASN A 34 21.790 -2.728 18.189 1.00 10.83 C ATOM 523 CG ASN A 34 23.222 -2.529 17.704 1.00 13.73 C ATOM 524 OD1 ASN A 34 23.941 -3.496 17.451 1.00 16.56 O ATOM 525 ND2 ASN A 34 23.652 -1.273 17.606 1.00 17.37 N ATOM 526 H AASN A 34 21.308 -3.848 15.290 0.01 6.94 H ATOM 527 D BASN A 34 21.308 -3.848 15.290 0.99 6.94 D ATOM 528 HA ASN A 34 21.644 -4.682 17.350 1.00 10.02 H ATOM 529 HB2 ASN A 34 21.258 -1.790 18.117 1.00 12.81 H ATOM 530 HB3 ASN A 34 21.811 -3.032 19.225 1.00 12.79 H ATOM 531 DD21 ASN A 34 24.547 -1.114 17.238 1.00 18.00 D ATOM 532 DD22 ASN A 34 23.057 -0.551 17.893 1.00 18.99 D ATOM 533 N LEU A 35 18.829 -4.824 17.382 1.00 9.08 N ATOM 534 CA LEU A 35 17.554 -5.230 17.966 1.00 9.07 C ATOM 535 C LEU A 35 17.615 -6.681 18.454 1.00 7.71 C ATOM 536 O LEU A 35 16.655 -7.182 19.040 1.00 9.54 O ATOM 537 CB LEU A 35 16.435 -5.081 16.928 1.00 8.14 C ATOM 538 CG LEU A 35 16.332 -3.668 16.340 1.00 12.38 C ATOM 539 CD1 LEU A 35 15.164 -3.597 15.365 1.00 13.66 C ATOM 540 CD2 LEU A 35 16.151 -2.645 17.440 1.00 15.14 C ATOM 541 H ALEU A 35 19.006 -5.007 16.437 0.04 9.21 H ATOM 542 D BLEU A 35 19.006 -5.007 16.437 0.96 9.21 D ATOM 543 HA LEU A 35 17.336 -4.589 18.811 1.00 9.69 H ATOM 544 HB2 LEU A 35 16.620 -5.778 16.118 1.00 9.30 H ATOM 545 HB3 LEU A 35 15.491 -5.328 17.393 1.00 10.33 H ATOM 546 HG LEU A 35 17.245 -3.450 15.808 1.00 14.29 H ATOM 547 HD11 LEU A 35 14.346 -4.205 15.725 1.00 12.57 H ATOM 548 HD12 LEU A 35 15.480 -3.957 14.397 1.00 14.44 H ATOM 549 HD13 LEU A 35 14.838 -2.572 15.276 1.00 13.31 H ATOM 550 HD21 LEU A 35 15.817 -1.714 17.008 1.00 16.36 H ATOM 551 HD22 LEU A 35 17.091 -2.489 17.946 1.00 15.16 H ATOM 552 HD23 LEU A 35 15.414 -2.995 18.146 1.00 13.28 H ATOM 553 N THR A 36 18.743 -7.348 18.222 1.00 8.87 N ATOM 554 CA THR A 36 18.916 -8.739 18.645 1.00 10.81 C ATOM 555 C THR A 36 20.094 -8.880 19.619 1.00 11.80 C ATOM 556 O THR A 36 20.561 -9.987 19.883 1.00 12.41 O ATOM 557 CB THR A 36 19.156 -9.642 17.426 1.00 10.92 C ATOM 558 OG1 THR A 36 20.320 -9.240 16.728 1.00 13.27 O ATOM 559 CG2 THR A 36 18.021 -9.611 16.441 1.00 13.59 C ATOM 560 H ATHR A 36 19.464 -6.909 17.727 0.02 9.11 H ATOM 561 D BTHR A 36 19.464 -6.909 17.727 0.98 9.11 D ATOM 562 HA THR A 36 18.015 -9.064 19.143 1.00 8.82 H ATOM 563 HB THR A 36 19.287 -10.657 17.770 1.00 10.95 H ATOM 564 DG1 THR A 36 21.072 -9.742 17.039 1.00 17.22 D ATOM 565 HG21 THR A 36 18.324 -10.089 15.523 1.00 11.34 H ATOM 566 HG22 THR A 36 17.742 -8.588 16.236 1.00 11.14 H ATOM 567 HG23 THR A 36 17.178 -10.138 16.852 1.00 13.63 H ATOM 568 N LYS A 37 20.522 -7.755 20.186 1.00 14.47 N ATOM 569 CA LYS A 37 21.654 -7.712 21.108 1.00 17.82 C ATOM 570 C LYS A 37 21.439 -8.513 22.399 1.00 14.93 C ATOM 571 O LYS A 37 22.281 -9.333 22.760 1.00 15.97 O ATOM 572 CB LYS A 37 21.951 -6.251 21.464 1.00 22.74 C ATOM 573 CG LYS A 37 23.124 -6.076 22.426 1.00 27.57 C ATOM 574 CD LYS A 37 23.366 -4.607 22.745 1.00 30.46 C ATOM 575 CE LYS A 37 22.256 -4.035 23.613 1.00 32.07 C ATOM 576 NZ LYS A 37 22.538 -2.616 23.971 1.00 33.55 N ATOM 577 H ALYS A 37 20.031 -6.920 20.044 0.01 14.69 H ATOM 578 D BLYS A 37 20.031 -6.920 20.044 0.99 14.69 D ATOM 579 HA LYS A 37 22.520 -8.113 20.602 1.00 18.44 H ATOM 580 HB2 LYS A 37 22.172 -5.714 20.554 1.00 23.46 H ATOM 581 HB3 LYS A 37 21.068 -5.820 21.910 1.00 23.66 H ATOM 582 HG2 LYS A 37 22.910 -6.604 23.343 1.00 27.92 H ATOM 583 HG3 LYS A 37 24.015 -6.490 21.980 1.00 27.72 H ATOM 584 HD2 LYS A 37 24.308 -4.508 23.262 1.00 31.81 H ATOM 585 HD3 LYS A 37 23.411 -4.050 21.822 1.00 30.99 H ATOM 586 HE2 LYS A 37 21.322 -4.087 23.074 1.00 33.10 H ATOM 587 HE3 LYS A 37 22.176 -4.620 24.516 1.00 32.23 H ATOM 588 N ASP A 38 20.324 -8.273 23.088 1.00 12.46 N ATOM 589 CA ASP A 38 20.035 -8.946 24.359 1.00 13.14 C ATOM 590 C ASP A 38 19.144 -10.170 24.194 1.00 11.40 C ATOM 591 O ASP A 38 19.247 -11.126 24.961 1.00 10.57 O ATOM 592 CB ASP A 38 19.348 -7.973 25.322 1.00 13.53 C ATOM 593 CG ASP A 38 20.161 -6.708 25.557 1.00 17.16 C ATOM 594 OD1 ASP A 38 21.388 -6.809 25.780 1.00 18.32 O ATOM 595 OD2 ASP A 38 19.566 -5.610 25.519 1.00 18.55 O ATOM 596 H AASP A 38 19.636 -7.702 22.698 0.21 13.27 H ATOM 597 D BASP A 38 19.636 -7.702 22.698 0.79 13.27 D ATOM 598 HA ASP A 38 20.967 -9.259 24.802 1.00 12.58 H ATOM 599 HB2 ASP A 38 18.389 -7.696 24.910 1.00 14.32 H ATOM 600 HB3 ASP A 38 19.194 -8.469 26.271 1.00 13.06 H ATOM 601 N ARG A 39 18.256 -10.118 23.206 1.00 9.66 N ATOM 602 CA ARG A 39 17.329 -11.206 22.924 1.00 9.47 C ATOM 603 C ARG A 39 16.779 -11.026 21.510 1.00 6.56 C ATOM 604 O ARG A 39 16.931 -9.965 20.902 1.00 6.89 O ATOM 605 CB ARG A 39 16.158 -11.180 23.912 1.00 11.37 C ATOM 606 CG ARG A 39 15.288 -9.935 23.759 1.00 15.05 C ATOM 607 CD ARG A 39 14.129 -9.931 24.741 1.00 20.09 C ATOM 608 NE ARG A 39 13.350 -8.700 24.622 1.00 23.90 N ATOM 609 CZ ARG A 39 12.133 -8.632 24.090 1.00 25.35 C ATOM 610 NH1 ARG A 39 11.541 -9.725 23.631 1.00 26.03 N ATOM 611 NH2 ARG A 39 11.517 -7.462 23.987 1.00 29.22 N ATOM 612 H AARG A 39 18.216 -9.308 22.658 0.09 10.10 H ATOM 613 D BARG A 39 18.216 -9.308 22.658 0.91 10.10 D ATOM 614 HA ARG A 39 17.845 -12.152 23.000 1.00 9.34 H ATOM 615 HB2 ARG A 39 15.546 -12.057 23.744 1.00 10.78 H ATOM 616 HB3 ARG A 39 16.548 -11.213 24.918 1.00 10.61 H ATOM 617 HG2 ARG A 39 15.897 -9.057 23.920 1.00 17.67 H ATOM 618 HG3 ARG A 39 14.895 -9.909 22.753 1.00 15.90 H ATOM 619 HD2 ARG A 39 13.489 -10.775 24.535 1.00 21.81 H ATOM 620 HD3 ARG A 39 14.512 -10.016 25.745 1.00 20.30 H ATOM 621 DE ARG A 39 13.725 -7.859 24.956 1.00 23.42 D ATOM 622 DH11 ARG A 39 12.007 -10.611 23.677 1.00 24.33 D ATOM 623 DH12 ARG A 39 10.614 -9.667 23.264 1.00 27.76 D ATOM 624 DH21 ARG A 39 10.602 -7.415 23.585 1.00 28.81 D ATOM 625 DH22 ARG A 39 11.969 -6.626 24.302 1.00 28.49 D ATOM 626 N CYS A 40 16.115 -12.056 21.004 1.00 7.33 N ATOM 627 CA CYS A 40 15.530 -11.977 19.680 1.00 7.67 C ATOM 628 C CYS A 40 14.166 -11.307 19.774 1.00 8.79 C ATOM 629 O CYS A 40 13.204 -11.919 20.246 1.00 11.60 O ATOM 630 CB CYS A 40 15.362 -13.372 19.075 1.00 7.13 C ATOM 631 SG CYS A 40 16.909 -14.319 18.920 1.00 7.80 S ATOM 632 H ACYS A 40 16.006 -12.884 21.514 0.24 7.44 H ATOM 633 D BCYS A 40 16.006 -12.884 21.514 0.76 7.44 D ATOM 634 HA CYS A 40 16.176 -11.388 19.042 1.00 6.22 H ATOM 635 HB2 CYS A 40 14.682 -13.946 19.689 1.00 10.40 H ATOM 636 HB3 CYS A 40 14.948 -13.279 18.079 1.00 7.07 H ATOM 637 N LYS A 41 14.097 -10.037 19.380 1.00 11.22 N ATOM 638 CA LYS A 41 12.828 -9.311 19.371 1.00 12.47 C ATOM 639 C LYS A 41 11.939 -10.130 18.419 1.00 10.96 C ATOM 640 O LYS A 41 12.327 -10.401 17.285 1.00 10.70 O ATOM 641 CB LYS A 41 13.033 -7.881 18.853 1.00 17.37 C ATOM 642 CG LYS A 41 11.894 -6.947 19.224 1.00 22.23 C ATOM 643 CD LYS A 41 12.040 -5.583 18.567 1.00 27.03 C ATOM 644 CE LYS A 41 10.916 -4.657 19.017 1.00 29.33 C ATOM 645 NZ LYS A 41 10.822 -3.435 18.165 1.00 32.45 N ATOM 646 H ALYS A 41 14.943 -9.586 19.170 0.01 10.98 H ATOM 647 D BLYS A 41 14.943 -9.586 19.170 0.99 10.98 D ATOM 648 HA LYS A 41 12.401 -9.298 20.367 1.00 12.51 H ATOM 649 HB2 LYS A 41 13.952 -7.492 19.270 1.00 18.19 H ATOM 650 HB3 LYS A 41 13.125 -7.912 17.778 1.00 16.48 H ATOM 651 HG2 LYS A 41 10.962 -7.391 18.910 1.00 22.71 H ATOM 652 HG3 LYS A 41 11.879 -6.822 20.296 1.00 22.61 H ATOM 653 HD2 LYS A 41 12.992 -5.153 18.845 1.00 26.19 H ATOM 654 HD3 LYS A 41 11.997 -5.695 17.495 1.00 26.59 H ATOM 655 HE2 LYS A 41 9.980 -5.193 18.969 1.00 30.46 H ATOM 656 HE3 LYS A 41 11.096 -4.359 20.040 1.00 30.48 H ATOM 657 DZ1 LYS A 41 11.726 -2.919 18.195 1.00 33.48 D ATOM 658 DZ2 LYS A 41 10.606 -3.709 17.182 1.00 32.18 D ATOM 659 DZ3 LYS A 41 10.062 -2.822 18.522 1.00 33.05 D ATOM 660 N PRO A 42 10.742 -10.538 18.869 1.00 10.74 N ATOM 661 CA PRO A 42 9.828 -11.348 18.051 1.00 11.28 C ATOM 662 C PRO A 42 9.286 -10.730 16.764 1.00 9.72 C ATOM 663 O PRO A 42 9.170 -11.421 15.757 1.00 10.71 O ATOM 664 CB PRO A 42 8.694 -11.691 19.019 1.00 12.88 C ATOM 665 CG PRO A 42 8.724 -10.630 20.047 1.00 13.93 C ATOM 666 CD PRO A 42 10.144 -10.184 20.171 1.00 11.66 C ATOM 667 HA PRO A 42 10.335 -12.265 17.793 1.00 11.64 H ATOM 668 HB2 PRO A 42 7.748 -11.688 18.498 1.00 14.91 H ATOM 669 HB3 PRO A 42 8.869 -12.651 19.476 1.00 14.76 H ATOM 670 HG2 PRO A 42 8.104 -9.803 19.735 1.00 12.13 H ATOM 671 HG3 PRO A 42 8.380 -11.015 20.992 1.00 14.79 H ATOM 672 HD2 PRO A 42 10.195 -9.116 20.320 1.00 12.28 H ATOM 673 HD3 PRO A 42 10.636 -10.709 20.979 1.00 13.85 H ATOM 674 N VAL A 43 8.956 -9.445 16.788 1.00 8.46 N ATOM 675 CA VAL A 43 8.406 -8.805 15.598 1.00 9.91 C ATOM 676 C VAL A 43 8.811 -7.335 15.555 1.00 7.78 C ATOM 677 O VAL A 43 8.988 -6.698 16.594 1.00 8.98 O ATOM 678 CB VAL A 43 6.850 -8.935 15.571 1.00 14.49 C ATOM 679 CG1 VAL A 43 6.218 -8.031 16.614 1.00 17.50 C ATOM 680 CG2 VAL A 43 6.315 -8.598 14.181 1.00 18.82 C ATOM 681 H AVAL A 43 9.135 -8.927 17.595 0.08 9.15 H ATOM 682 D BVAL A 43 9.135 -8.927 17.595 0.92 9.15 D ATOM 683 HA VAL A 43 8.804 -9.305 14.722 1.00 9.37 H ATOM 684 HB VAL A 43 6.591 -9.959 15.800 1.00 18.02 H ATOM 685 HG11 VAL A 43 6.617 -7.034 16.517 1.00 17.95 H ATOM 686 HG12 VAL A 43 6.439 -8.411 17.598 1.00 17.50 H ATOM 687 HG13 VAL A 43 5.148 -8.006 16.468 1.00 15.69 H ATOM 688 HG21 VAL A 43 6.108 -9.512 13.644 1.00 17.91 H ATOM 689 HG22 VAL A 43 7.051 -8.026 13.640 1.00 18.79 H ATOM 690 HG23 VAL A 43 5.406 -8.023 14.271 1.00 17.63 H ATOM 691 N ASN A 44 8.981 -6.815 14.341 1.00 5.94 N ATOM 692 CA ASN A 44 9.362 -5.424 14.138 1.00 5.95 C ATOM 693 C ASN A 44 8.984 -5.007 12.725 1.00 5.91 C ATOM 694 O ASN A 44 8.877 -5.845 11.833 1.00 9.00 O ATOM 695 CB ASN A 44 10.877 -5.263 14.327 1.00 5.92 C ATOM 696 CG ASN A 44 11.303 -3.807 14.387 1.00 8.59 C ATOM 697 OD1 ASN A 44 10.796 -3.036 15.197 1.00 10.78 O ATOM 698 ND2 ASN A 44 12.255 -3.434 13.546 1.00 10.68 N ATOM 699 H AASN A 44 8.908 -7.392 13.556 0.01 6.43 H ATOM 700 D BASN A 44 8.908 -7.392 13.556 0.99 6.43 D ATOM 701 HA ASN A 44 8.841 -4.800 14.853 1.00 5.59 H ATOM 702 HB2 ASN A 44 11.168 -5.754 15.247 1.00 8.81 H ATOM 703 HB3 ASN A 44 11.381 -5.745 13.500 1.00 5.81 H ATOM 704 DD21 ASN A 44 12.656 -4.110 12.963 1.00 18.59 D ATOM 705 DD22 ASN A 44 12.531 -2.499 13.543 1.00 16.07 D ATOM 706 N THR A 45 8.786 -3.711 12.520 1.00 6.30 N ATOM 707 CA THR A 45 8.438 -3.204 11.197 1.00 5.55 C ATOM 708 C THR A 45 9.338 -2.039 10.817 1.00 4.98 C ATOM 709 O THR A 45 9.614 -1.166 11.638 1.00 4.47 O ATOM 710 CB THR A 45 6.982 -2.735 11.186 1.00 7.83 C ATOM 711 OG1 THR A 45 6.128 -3.836 11.443 1.00 11.14 O ATOM 712 CG2 THR A 45 6.567 -2.132 9.848 1.00 9.58 C ATOM 713 H ATHR A 45 8.767 -3.092 13.274 0.31 5.87 H ATOM 714 D BTHR A 45 8.767 -3.092 13.274 0.69 5.87 D ATOM 715 HA THR A 45 8.558 -3.994 10.465 1.00 6.05 H ATOM 716 HB THR A 45 6.847 -1.995 11.965 1.00 9.24 H ATOM 717 DG1 THR A 45 5.230 -3.527 11.544 1.00 17.76 D ATOM 718 HG21 THR A 45 7.299 -1.400 9.540 1.00 12.31 H ATOM 719 HG22 THR A 45 5.602 -1.655 9.950 1.00 11.52 H ATOM 720 HG23 THR A 45 6.508 -2.914 9.104 1.00 11.13 H ATOM 721 N PHE A 46 9.824 -2.060 9.579 1.00 4.62 N ATOM 722 CA PHE A 46 10.656 -0.989 9.050 1.00 4.34 C ATOM 723 C PHE A 46 9.846 -0.232 8.002 1.00 3.26 C ATOM 724 O PHE A 46 9.155 -0.840 7.186 1.00 5.54 O ATOM 725 CB PHE A 46 11.931 -1.543 8.408 1.00 4.36 C ATOM 726 CG PHE A 46 12.915 -2.095 9.400 1.00 3.75 C ATOM 727 CD1 PHE A 46 13.784 -1.256 10.085 1.00 6.77 C ATOM 728 CD2 PHE A 46 12.972 -3.456 9.639 1.00 5.36 C ATOM 729 CE1 PHE A 46 14.694 -1.777 10.993 1.00 7.56 C ATOM 730 CE2 PHE A 46 13.875 -3.979 10.543 1.00 5.54 C ATOM 731 CZ PHE A 46 14.738 -3.139 11.219 1.00 6.91 C ATOM 732 H APHE A 46 9.603 -2.809 8.988 0.99 4.61 H ATOM 733 D BPHE A 46 9.603 -2.809 8.988 0.01 4.61 D ATOM 734 HA PHE A 46 10.923 -0.317 9.854 1.00 3.47 H ATOM 735 HB2 PHE A 46 11.659 -2.327 7.717 1.00 7.79 H ATOM 736 HB3 PHE A 46 12.409 -0.749 7.853 1.00 5.97 H ATOM 737 HD1 PHE A 46 13.752 -0.192 9.905 1.00 8.98 H ATOM 738 HD2 PHE A 46 12.298 -4.116 9.112 1.00 8.96 H ATOM 739 HE1 PHE A 46 15.368 -1.120 11.524 1.00 9.66 H ATOM 740 HE2 PHE A 46 13.903 -5.044 10.723 1.00 6.73 H ATOM 741 HZ PHE A 46 15.450 -3.546 11.921 1.00 7.27 H ATOM 742 N VAL A 47 9.942 1.094 8.034 1.00 4.21 N ATOM 743 CA VAL A 47 9.217 1.961 7.108 1.00 6.24 C ATOM 744 C VAL A 47 10.198 2.551 6.092 1.00 4.84 C ATOM 745 O VAL A 47 11.225 3.123 6.463 1.00 5.43 O ATOM 746 CB VAL A 47 8.498 3.095 7.890 1.00 6.65 C ATOM 747 CG1 VAL A 47 7.678 3.964 6.954 1.00 7.28 C ATOM 748 CG2 VAL A 47 7.593 2.489 8.954 1.00 7.47 C ATOM 749 H AVAL A 47 10.544 1.500 8.686 0.92 5.34 H ATOM 750 D BVAL A 47 10.544 1.500 8.686 0.08 5.34 D ATOM 751 HA VAL A 47 8.479 1.372 6.580 1.00 6.07 H ATOM 752 HB VAL A 47 9.233 3.710 8.380 1.00 5.94 H ATOM 753 HG11 VAL A 47 7.094 4.671 7.530 1.00 9.62 H ATOM 754 HG12 VAL A 47 7.017 3.341 6.369 1.00 9.72 H ATOM 755 HG13 VAL A 47 8.341 4.502 6.294 1.00 9.30 H ATOM 756 HG21 VAL A 47 8.183 1.894 9.639 1.00 8.08 H ATOM 757 HG22 VAL A 47 6.850 1.864 8.482 1.00 9.84 H ATOM 758 HG23 VAL A 47 7.102 3.283 9.496 1.00 6.17 H ATOM 759 N HIS A 48 9.873 2.390 4.809 1.00 4.02 N ATOM 760 CA HIS A 48 10.701 2.872 3.700 1.00 5.14 C ATOM 761 C HIS A 48 10.165 4.185 3.150 1.00 5.17 C ATOM 762 O HIS A 48 9.615 4.235 2.049 1.00 7.03 O ATOM 763 CB HIS A 48 10.718 1.854 2.564 1.00 5.77 C ATOM 764 CG HIS A 48 11.197 0.502 2.972 1.00 6.29 C ATOM 765 ND1 HIS A 48 12.529 0.146 2.960 1.00 9.93 N ATOM 766 CD2 HIS A 48 10.523 -0.601 3.376 1.00 7.98 C ATOM 767 CE1 HIS A 48 12.657 -1.112 3.343 1.00 8.50 C ATOM 768 NE2 HIS A 48 11.452 -1.584 3.601 1.00 9.75 N ATOM 769 H AHIS A 48 9.063 1.890 4.591 0.99 4.96 H ATOM 770 D BHIS A 48 9.063 1.890 4.591 0.01 4.96 D ATOM 771 HA HIS A 48 11.712 3.023 4.046 1.00 5.64 H ATOM 772 HB2 HIS A 48 9.720 1.761 2.167 1.00 6.08 H ATOM 773 HB3 HIS A 48 11.363 2.225 1.782 1.00 6.04 H ATOM 774 DD1 HIS A 48 13.272 0.730 2.706 1.00 10.82 D ATOM 775 HD2 HIS A 48 9.454 -0.694 3.475 1.00 9.74 H ATOM 776 HE1 HIS A 48 13.585 -1.655 3.434 1.00 10.03 H ATOM 777 DE2 HIS A 48 11.258 -2.482 3.904 1.00 12.75 D ATOM 778 N GLU A 49 10.302 5.239 3.936 1.00 6.61 N ATOM 779 CA GLU A 49 9.839 6.570 3.553 1.00 6.51 C ATOM 780 C GLU A 49 10.788 7.577 4.165 1.00 6.78 C ATOM 781 O GLU A 49 11.631 7.217 4.987 1.00 5.82 O ATOM 782 CB GLU A 49 8.429 6.840 4.105 1.00 8.75 C ATOM 783 CG GLU A 49 7.352 5.850 3.642 1.00 8.91 C ATOM 784 CD GLU A 49 7.003 5.985 2.168 1.00 10.83 C ATOM 785 OE1 GLU A 49 7.331 7.020 1.557 1.00 12.79 O ATOM 786 OE2 GLU A 49 6.399 5.043 1.617 1.00 10.62 O ATOM 787 H AGLU A 49 10.714 5.128 4.820 0.51 7.46 H ATOM 788 D BGLU A 49 10.714 5.128 4.820 0.49 7.46 D ATOM 789 HA GLU A 49 9.843 6.669 2.478 1.00 7.26 H ATOM 790 HB2 GLU A 49 8.474 6.807 5.184 1.00 10.36 H ATOM 791 HB3 GLU A 49 8.131 7.837 3.809 1.00 10.14 H ATOM 792 HG2 GLU A 49 7.706 4.846 3.823 1.00 8.06 H ATOM 793 HG3 GLU A 49 6.460 6.014 4.228 1.00 10.71 H ATOM 794 N SER A 50 10.653 8.841 3.778 1.00 7.24 N ATOM 795 CA SER A 50 11.495 9.880 4.347 1.00 8.52 C ATOM 796 C SER A 50 11.050 10.089 5.789 1.00 9.36 C ATOM 797 O SER A 50 9.878 9.894 6.117 1.00 7.79 O ATOM 798 CB SER A 50 11.356 11.188 3.564 1.00 12.15 C ATOM 799 OG SER A 50 10.135 11.851 3.846 1.00 13.93 O ATOM 800 H ASER A 50 9.983 9.075 3.105 0.04 7.51 H ATOM 801 D BSER A 50 9.983 9.075 3.105 0.96 7.51 D ATOM 802 HA SER A 50 12.527 9.555 4.325 1.00 9.98 H ATOM 803 HB2 SER A 50 12.173 11.840 3.823 1.00 14.00 H ATOM 804 HB3 SER A 50 11.406 10.966 2.509 1.00 11.47 H ATOM 805 DG SER A 50 9.400 11.336 3.513 1.00 22.20 D ATOM 806 N LEU A 51 11.991 10.457 6.649 1.00 9.71 N ATOM 807 CA LEU A 51 11.682 10.699 8.056 1.00 10.02 C ATOM 808 C LEU A 51 10.613 11.785 8.184 1.00 9.47 C ATOM 809 O LEU A 51 9.707 11.668 9.001 1.00 8.49 O ATOM 810 CB LEU A 51 12.951 11.116 8.805 1.00 11.74 C ATOM 811 CG LEU A 51 12.763 11.397 10.299 1.00 13.66 C ATOM 812 CD1 LEU A 51 12.331 10.130 11.027 1.00 12.53 C ATOM 813 CD2 LEU A 51 14.070 11.923 10.875 1.00 13.23 C ATOM 814 H ALEU A 51 12.910 10.538 6.320 0.03 9.80 H ATOM 815 D BLEU A 51 12.910 10.538 6.320 0.97 9.80 D ATOM 816 HA LEU A 51 11.300 9.788 8.493 1.00 9.06 H ATOM 817 HB2 LEU A 51 13.684 10.329 8.697 1.00 13.02 H ATOM 818 HB3 LEU A 51 13.339 12.010 8.338 1.00 12.44 H ATOM 819 HG LEU A 51 12.000 12.150 10.420 1.00 13.25 H ATOM 820 HD11 LEU A 51 11.348 9.837 10.688 1.00 13.70 H ATOM 821 HD12 LEU A 51 12.308 10.316 12.091 1.00 11.44 H ATOM 822 HD13 LEU A 51 13.032 9.336 10.820 1.00 14.28 H ATOM 823 HD21 LEU A 51 14.708 11.095 11.146 1.00 15.40 H ATOM 824 HD22 LEU A 51 13.862 12.516 11.753 1.00 15.62 H ATOM 825 HD23 LEU A 51 14.568 12.537 10.138 1.00 16.30 H ATOM 826 N ALA A 52 10.706 12.815 7.347 1.00 9.27 N ATOM 827 CA ALA A 52 9.753 13.921 7.363 1.00 9.99 C ATOM 828 C ALA A 52 8.318 13.448 7.144 1.00 8.81 C ATOM 829 O ALA A 52 7.406 13.910 7.832 1.00 9.29 O ATOM 830 CB ALA A 52 10.123 14.938 6.287 1.00 13.46 C ATOM 831 H AALA A 52 11.453 12.848 6.710 0.14 9.53 H ATOM 832 D BALA A 52 11.453 12.848 6.710 0.86 9.53 D ATOM 833 HA ALA A 52 9.806 14.406 8.327 1.00 10.26 H ATOM 834 HB1 ALA A 52 9.237 15.472 5.973 1.00 15.67 H ATOM 835 HB2 ALA A 52 10.552 14.423 5.440 1.00 14.73 H ATOM 836 HB3 ALA A 52 10.842 15.637 6.685 1.00 13.70 H ATOM 837 N ASP A 53 8.113 12.529 6.200 1.00 8.77 N ATOM 838 CA ASP A 53 6.770 12.036 5.917 1.00 8.50 C ATOM 839 C ASP A 53 6.208 11.193 7.054 1.00 7.09 C ATOM 840 O ASP A 53 4.998 11.179 7.272 1.00 7.52 O ATOM 841 CB ASP A 53 6.755 11.228 4.616 1.00 9.31 C ATOM 842 CG ASP A 53 6.857 12.115 3.379 1.00 12.85 C ATOM 843 OD1 ASP A 53 6.898 13.358 3.521 1.00 11.75 O ATOM 844 OD2 ASP A 53 6.888 11.572 2.256 1.00 14.08 O ATOM 845 H AASP A 53 8.862 12.138 5.707 0.01 8.76 H ATOM 846 D BASP A 53 8.862 12.138 5.707 0.99 8.76 D ATOM 847 HA ASP A 53 6.124 12.888 5.787 1.00 7.46 H ATOM 848 HB2 ASP A 53 7.589 10.542 4.627 1.00 9.16 H ATOM 849 HB3 ASP A 53 5.834 10.661 4.567 1.00 11.16 H ATOM 850 N VAL A 54 7.077 10.511 7.790 1.00 6.01 N ATOM 851 CA VAL A 54 6.626 9.685 8.902 1.00 6.72 C ATOM 852 C VAL A 54 6.323 10.579 10.109 1.00 7.34 C ATOM 853 O VAL A 54 5.319 10.382 10.793 1.00 4.84 O ATOM 854 CB VAL A 54 7.688 8.604 9.250 1.00 7.21 C ATOM 855 CG1 VAL A 54 7.291 7.840 10.515 1.00 8.34 C ATOM 856 CG2 VAL A 54 7.804 7.621 8.083 1.00 7.48 C ATOM 857 H AVAL A 54 8.028 10.545 7.562 0.95 6.41 H ATOM 858 D BVAL A 54 8.028 10.545 7.562 0.05 6.41 D ATOM 859 HA VAL A 54 5.710 9.185 8.603 1.00 7.82 H ATOM 860 HB VAL A 54 8.647 9.076 9.406 1.00 6.11 H ATOM 861 HG11 VAL A 54 7.989 7.034 10.684 1.00 10.23 H ATOM 862 HG12 VAL A 54 6.299 7.432 10.394 1.00 9.40 H ATOM 863 HG13 VAL A 54 7.303 8.511 11.361 1.00 7.72 H ATOM 864 HG21 VAL A 54 8.116 8.148 7.192 1.00 10.00 H ATOM 865 HG22 VAL A 54 6.845 7.151 7.905 1.00 9.70 H ATOM 866 HG23 VAL A 54 8.533 6.861 8.322 1.00 7.95 H ATOM 867 N GLN A 55 7.157 11.594 10.328 1.00 7.82 N ATOM 868 CA GLN A 55 6.953 12.530 11.432 1.00 7.48 C ATOM 869 C GLN A 55 5.647 13.307 11.241 1.00 8.49 C ATOM 870 O GLN A 55 4.976 13.656 12.211 1.00 8.08 O ATOM 871 CB GLN A 55 8.110 13.528 11.519 1.00 10.37 C ATOM 872 CG GLN A 55 9.421 12.940 12.042 1.00 11.29 C ATOM 873 CD GLN A 55 10.578 13.929 11.924 1.00 11.94 C ATOM 874 OE1 GLN A 55 10.573 14.809 11.061 1.00 14.57 O ATOM 875 NE2 GLN A 55 11.563 13.800 12.801 1.00 15.29 N ATOM 876 H AGLN A 55 7.883 11.750 9.691 0.95 7.19 H ATOM 877 D BGLN A 55 7.883 11.750 9.691 0.05 7.19 D ATOM 878 HA GLN A 55 6.898 11.979 12.359 1.00 4.83 H ATOM 879 HB2 GLN A 55 8.290 13.935 10.538 1.00 9.32 H ATOM 880 HB3 GLN A 55 7.812 14.334 12.172 1.00 10.70 H ATOM 881 HG2 GLN A 55 9.291 12.672 13.081 1.00 12.03 H ATOM 882 HG3 GLN A 55 9.659 12.049 11.478 1.00 9.79 H ATOM 883 DE21 GLN A 55 11.488 13.112 13.498 1.00 15.65 D ATOM 884 DE22 GLN A 55 12.324 14.413 12.730 1.00 16.67 D ATOM 885 N ALA A 56 5.281 13.553 9.982 1.00 8.67 N ATOM 886 CA ALA A 56 4.065 14.292 9.655 1.00 10.62 C ATOM 887 C ALA A 56 2.790 13.543 10.043 1.00 9.14 C ATOM 888 O ALA A 56 1.723 14.152 10.142 1.00 10.89 O ATOM 889 CB ALA A 56 4.036 14.605 8.166 1.00 9.91 C ATOM 890 H AALA A 56 5.860 13.251 9.257 0.08 9.22 H ATOM 891 D BALA A 56 5.860 13.251 9.257 0.92 9.22 D ATOM 892 HA ALA A 56 4.081 15.225 10.196 1.00 11.05 H ATOM 893 HB1 ALA A 56 4.896 15.203 7.906 1.00 12.75 H ATOM 894 HB2 ALA A 56 3.131 15.150 7.931 1.00 11.37 H ATOM 895 HB3 ALA A 56 4.055 13.682 7.602 1.00 10.25 H ATOM 896 N VAL A 57 2.892 12.232 10.251 1.00 8.10 N ATOM 897 CA VAL A 57 1.727 11.435 10.622 1.00 7.93 C ATOM 898 C VAL A 57 1.149 11.887 11.972 1.00 8.06 C ATOM 899 O VAL A 57 -0.042 11.711 12.232 1.00 8.00 O ATOM 900 CB VAL A 57 2.076 9.921 10.680 1.00 7.05 C ATOM 901 CG1 VAL A 57 0.874 9.116 11.180 1.00 7.38 C ATOM 902 CG2 VAL A 57 2.475 9.427 9.297 1.00 7.97 C ATOM 903 H AVAL A 57 3.760 11.790 10.140 0.95 7.25 H ATOM 904 D BVAL A 57 3.760 11.790 10.140 0.05 7.25 D ATOM 905 HA VAL A 57 0.974 11.579 9.864 1.00 6.74 H ATOM 906 HB VAL A 57 2.905 9.776 11.356 1.00 6.14 H ATOM 907 HG11 VAL A 57 -0.020 9.458 10.678 1.00 9.71 H ATOM 908 HG12 VAL A 57 0.765 9.259 12.247 1.00 9.24 H ATOM 909 HG13 VAL A 57 1.025 8.065 10.970 1.00 9.58 H ATOM 910 HG21 VAL A 57 1.617 9.440 8.639 1.00 9.86 H ATOM 911 HG22 VAL A 57 2.855 8.419 9.375 1.00 9.02 H ATOM 912 HG23 VAL A 57 3.248 10.068 8.898 1.00 7.40 H ATOM 913 N CYS A 58 1.982 12.494 12.816 1.00 6.84 N ATOM 914 CA CYS A 58 1.537 12.976 14.126 1.00 7.41 C ATOM 915 C CYS A 58 0.533 14.128 14.011 1.00 8.10 C ATOM 916 O CYS A 58 -0.053 14.543 15.011 1.00 10.09 O ATOM 917 CB CYS A 58 2.737 13.433 14.960 1.00 8.67 C ATOM 918 SG CYS A 58 3.832 12.070 15.467 1.00 9.22 S ATOM 919 H ACYS A 58 2.923 12.611 12.569 0.99 6.50 H ATOM 920 D BCYS A 58 2.923 12.611 12.569 0.01 6.50 D ATOM 921 HA CYS A 58 1.056 12.159 14.645 1.00 6.66 H ATOM 922 HB2 CYS A 58 3.324 14.139 14.389 1.00 9.19 H ATOM 923 HB3 CYS A 58 2.379 13.913 15.859 1.00 10.53 H ATOM 924 N SER A 59 0.334 14.632 12.795 1.00 9.52 N ATOM 925 CA SER A 59 -0.608 15.718 12.540 1.00 13.04 C ATOM 926 C SER A 59 -1.725 15.243 11.611 1.00 11.97 C ATOM 927 O SER A 59 -2.396 16.062 10.981 1.00 12.79 O ATOM 928 CB SER A 59 0.111 16.900 11.882 1.00 15.12 C ATOM 929 OG SER A 59 1.103 17.439 12.740 1.00 20.09 O ATOM 930 H ASER A 59 0.844 14.281 12.039 0.01 10.25 H ATOM 931 D BSER A 59 0.844 14.281 12.039 0.99 10.25 D ATOM 932 HA SER A 59 -1.040 16.044 13.474 1.00 13.14 H ATOM 933 HB2 SER A 59 0.579 16.562 10.971 1.00 18.50 H ATOM 934 HB3 SER A 59 -0.613 17.666 11.641 1.00 17.66 H ATOM 935 N GLN A 60 -1.929 13.929 11.522 1.00 10.95 N ATOM 936 CA GLN A 60 -2.957 13.394 10.640 1.00 9.41 C ATOM 937 C GLN A 60 -4.177 12.844 11.403 1.00 8.82 C ATOM 938 O GLN A 60 -4.706 13.544 12.266 1.00 11.84 O ATOM 939 CB GLN A 60 -2.310 12.382 9.690 1.00 9.83 C ATOM 940 CG GLN A 60 -1.300 13.101 8.775 1.00 10.64 C ATOM 941 CD GLN A 60 -0.565 12.196 7.800 1.00 11.69 C ATOM 942 OE1 GLN A 60 -0.903 11.031 7.622 1.00 12.91 O ATOM 943 NE2 GLN A 60 0.452 12.751 7.152 1.00 18.18 N ATOM 944 H AGLN A 60 -1.374 13.300 12.028 0.15 10.89 H ATOM 945 D BGLN A 60 -1.374 13.300 12.028 0.85 10.89 D ATOM 946 HA GLN A 60 -3.310 14.217 10.038 1.00 11.50 H ATOM 947 HB2 GLN A 60 -1.799 11.626 10.271 1.00 9.30 H ATOM 948 HB3 GLN A 60 -3.073 11.917 9.083 1.00 10.63 H ATOM 949 HG2 GLN A 60 -1.827 13.854 8.210 1.00 10.13 H ATOM 950 HG3 GLN A 60 -0.569 13.595 9.402 1.00 10.13 H ATOM 951 DE21 GLN A 60 0.992 12.194 6.551 1.00 18.49 D ATOM 952 DE22 GLN A 60 0.637 13.702 7.314 1.00 18.85 D ATOM 953 N LYS A 61 -4.625 11.621 11.132 1.00 10.65 N ATOM 954 CA LYS A 61 -5.832 11.132 11.802 1.00 12.44 C ATOM 955 C LYS A 61 -5.600 10.530 13.182 1.00 11.89 C ATOM 956 O LYS A 61 -4.958 9.499 13.319 1.00 14.54 O ATOM 957 CB LYS A 61 -6.536 10.101 10.928 1.00 14.76 C ATOM 958 CG LYS A 61 -7.929 9.761 11.443 1.00 20.31 C ATOM 959 CD LYS A 61 -8.631 8.784 10.522 1.00 25.85 C ATOM 960 CE LYS A 61 -10.066 8.553 10.973 1.00 28.32 C ATOM 961 NZ LYS A 61 -10.127 8.053 12.379 1.00 31.37 N ATOM 962 H ALYS A 61 -4.126 10.972 10.606 0.29 11.25 H ATOM 963 D BLYS A 61 -4.126 10.972 10.606 0.71 11.25 D ATOM 964 HA LYS A 61 -6.505 11.972 11.919 1.00 11.72 H ATOM 965 HB2 LYS A 61 -6.617 10.491 9.922 1.00 16.22 H ATOM 966 HB3 LYS A 61 -5.941 9.202 10.908 1.00 15.87 H ATOM 967 HG2 LYS A 61 -7.842 9.319 12.426 1.00 19.91 H ATOM 968 HG3 LYS A 61 -8.513 10.668 11.510 1.00 21.61 H ATOM 969 HD2 LYS A 61 -8.634 9.182 9.517 1.00 26.01 H ATOM 970 HD3 LYS A 61 -8.101 7.844 10.532 1.00 25.58 H ATOM 971 HE2 LYS A 61 -10.612 9.481 10.905 1.00 28.60 H ATOM 972 HE3 LYS A 61 -10.526 7.826 10.321 1.00 29.16 H ATOM 973 N ASN A 62 -6.206 11.149 14.192 1.00 12.82 N ATOM 974 CA ASN A 62 -6.090 10.689 15.571 1.00 12.29 C ATOM 975 C ASN A 62 -6.971 9.464 15.795 1.00 11.48 C ATOM 976 O ASN A 62 -8.159 9.470 15.472 1.00 12.15 O ATOM 977 CB ASN A 62 -6.507 11.809 16.530 1.00 14.55 C ATOM 978 CG ASN A 62 -6.457 11.381 17.989 1.00 16.52 C ATOM 979 OD1 ASN A 62 -7.465 11.425 18.698 1.00 15.42 O ATOM 980 ND2 ASN A 62 -5.284 10.953 18.441 1.00 15.13 N ATOM 981 H AASN A 62 -6.761 11.934 13.995 0.01 12.57 H ATOM 982 D BASN A 62 -6.761 11.934 13.995 0.99 12.57 D ATOM 983 HA ASN A 62 -5.061 10.421 15.771 1.00 12.43 H ATOM 984 HB2 ASN A 62 -5.838 12.644 16.392 1.00 14.98 H ATOM 985 HB3 ASN A 62 -7.512 12.121 16.288 1.00 15.98 H ATOM 986 DD21 ASN A 62 -5.216 10.696 19.380 1.00 14.99 D ATOM 987 DD22 ASN A 62 -4.533 10.917 17.818 1.00 16.30 D ATOM 988 N VAL A 63 -6.365 8.405 16.318 1.00 11.14 N ATOM 989 CA VAL A 63 -7.063 7.160 16.611 1.00 12.48 C ATOM 990 C VAL A 63 -6.504 6.596 17.911 1.00 11.57 C ATOM 991 O VAL A 63 -5.381 6.916 18.306 1.00 11.41 O ATOM 992 CB VAL A 63 -6.857 6.089 15.505 1.00 17.08 C ATOM 993 CG1 VAL A 63 -7.555 6.513 14.220 1.00 20.25 C ATOM 994 CG2 VAL A 63 -5.372 5.877 15.240 1.00 17.34 C ATOM 995 H AVAL A 63 -5.410 8.450 16.510 0.99 10.71 H ATOM 996 D BVAL A 63 -5.410 8.450 16.510 0.01 10.71 D ATOM 997 HA VAL A 63 -8.120 7.358 16.729 1.00 11.40 H ATOM 998 HB VAL A 63 -7.283 5.157 15.845 1.00 18.46 H ATOM 999 HG11 VAL A 63 -7.412 7.571 14.064 1.00 20.20 H ATOM 1000 HG12 VAL A 63 -8.610 6.302 14.300 1.00 20.11 H ATOM 1001 HG13 VAL A 63 -7.140 5.965 13.387 1.00 20.91 H ATOM 1002 HG21 VAL A 63 -4.944 6.783 14.836 1.00 16.11 H ATOM 1003 HG22 VAL A 63 -5.247 5.072 14.532 1.00 17.31 H ATOM 1004 HG23 VAL A 63 -4.872 5.624 16.163 1.00 18.62 H ATOM 1005 N ALA A 64 -7.301 5.778 18.586 1.00 9.58 N ATOM 1006 CA ALA A 64 -6.862 5.158 19.828 1.00 8.77 C ATOM 1007 C ALA A 64 -5.905 4.015 19.508 1.00 8.04 C ATOM 1008 O ALA A 64 -6.122 3.267 18.558 1.00 7.92 O ATOM 1009 CB ALA A 64 -8.059 4.632 20.604 1.00 10.53 C ATOM 1010 H AALA A 64 -8.215 5.649 18.272 0.39 11.38 H ATOM 1011 D BALA A 64 -8.215 5.649 18.272 0.61 11.38 D ATOM 1012 HA ALA A 64 -6.343 5.891 20.426 1.00 7.34 H ATOM 1013 HB1 ALA A 64 -8.568 5.453 21.085 1.00 12.22 H ATOM 1014 HB2 ALA A 64 -7.726 3.926 21.352 1.00 11.10 H ATOM 1015 HB3 ALA A 64 -8.738 4.142 19.923 1.00 12.38 H ATOM 1016 N CYS A 65 -4.830 3.897 20.285 1.00 5.70 N ATOM 1017 CA CYS A 65 -3.877 2.814 20.085 1.00 7.59 C ATOM 1018 C CYS A 65 -4.499 1.488 20.508 1.00 8.21 C ATOM 1019 O CYS A 65 -5.581 1.457 21.099 1.00 8.36 O ATOM 1020 CB CYS A 65 -2.611 3.060 20.898 1.00 9.62 C ATOM 1021 SG CYS A 65 -1.217 3.565 19.852 1.00 12.53 S ATOM 1022 H ACYS A 65 -4.631 4.538 20.993 0.99 4.23 H ATOM 1023 D BCYS A 65 -4.631 4.538 20.993 0.01 4.23 D ATOM 1024 HA CYS A 65 -3.617 2.761 19.039 1.00 7.68 H ATOM 1025 HB2 CYS A 65 -2.792 3.835 21.634 1.00 14.49 H ATOM 1026 HB3 CYS A 65 -2.322 2.150 21.394 1.00 12.50 H ATOM 1027 N LYS A 66 -3.800 0.396 20.218 1.00 9.72 N ATOM 1028 CA LYS A 66 -4.278 -0.936 20.567 1.00 12.40 C ATOM 1029 C LYS A 66 -4.540 -1.066 22.069 1.00 12.45 C ATOM 1030 O LYS A 66 -5.513 -1.705 22.475 1.00 14.04 O ATOM 1031 CB LYS A 66 -3.250 -1.981 20.130 1.00 16.07 C ATOM 1032 CG LYS A 66 -3.158 -2.115 18.613 1.00 21.60 C ATOM 1033 CD LYS A 66 -1.871 -2.801 18.178 1.00 25.45 C ATOM 1034 CE LYS A 66 -1.841 -4.260 18.604 1.00 28.26 C ATOM 1035 NZ LYS A 66 -0.616 -4.938 18.082 1.00 30.65 N ATOM 1036 H ALYS A 66 -2.950 0.486 19.738 0.01 10.09 H ATOM 1037 D BLYS A 66 -2.950 0.486 19.738 0.99 10.09 D ATOM 1038 HA LYS A 66 -5.201 -1.119 20.036 1.00 13.37 H ATOM 1039 HB2 LYS A 66 -2.281 -1.698 20.516 1.00 15.97 H ATOM 1040 HB3 LYS A 66 -3.525 -2.938 20.550 1.00 18.42 H ATOM 1041 HG2 LYS A 66 -4.001 -2.692 18.261 1.00 22.26 H ATOM 1042 HG3 LYS A 66 -3.197 -1.130 18.174 1.00 20.71 H ATOM 1043 HD2 LYS A 66 -1.788 -2.744 17.103 1.00 25.53 H ATOM 1044 HD3 LYS A 66 -1.032 -2.289 18.623 1.00 25.48 H ATOM 1045 HE2 LYS A 66 -1.846 -4.316 19.682 1.00 28.82 H ATOM 1046 HE3 LYS A 66 -2.715 -4.760 18.216 1.00 28.58 H ATOM 1047 N ASN A 67 -3.700 -0.428 22.885 1.00 12.37 N ATOM 1048 CA ASN A 67 -3.841 -0.498 24.341 1.00 13.03 C ATOM 1049 C ASN A 67 -4.804 0.543 24.944 1.00 12.88 C ATOM 1050 O ASN A 67 -4.932 0.628 26.169 1.00 12.33 O ATOM 1051 CB ASN A 67 -2.456 -0.383 24.999 1.00 14.01 C ATOM 1052 CG ASN A 67 -1.931 1.046 25.050 1.00 16.58 C ATOM 1053 OD1 ASN A 67 -2.319 1.904 24.260 1.00 15.20 O ATOM 1054 ND2 ASN A 67 -1.020 1.295 25.987 1.00 19.75 N ATOM 1055 H AASN A 67 -2.912 0.004 22.501 0.01 12.62 H ATOM 1056 D BASN A 67 -2.912 0.004 22.501 0.99 12.62 D ATOM 1057 HA ASN A 67 -4.227 -1.478 24.582 1.00 10.89 H ATOM 1058 HB2 ASN A 67 -2.514 -0.765 26.007 1.00 15.02 H ATOM 1059 HB3 ASN A 67 -1.757 -0.985 24.438 1.00 15.74 H ATOM 1060 DD21 ASN A 67 -0.757 0.560 26.582 1.00 20.22 D ATOM 1061 DD22 ASN A 67 -0.646 2.199 26.056 1.00 20.20 D ATOM 1062 N GLY A 68 -5.447 1.352 24.103 1.00 11.04 N ATOM 1063 CA GLY A 68 -6.401 2.329 24.608 1.00 10.48 C ATOM 1064 C GLY A 68 -5.928 3.771 24.679 1.00 8.99 C ATOM 1065 O GLY A 68 -6.763 4.669 24.760 1.00 10.02 O ATOM 1066 H AGLY A 68 -5.239 1.329 23.147 0.01 11.51 H ATOM 1067 D BGLY A 68 -5.239 1.329 23.147 0.99 11.51 D ATOM 1068 HA2 GLY A 68 -7.275 2.302 23.973 1.00 11.56 H ATOM 1069 HA3 GLY A 68 -6.701 2.026 25.601 1.00 11.09 H ATOM 1070 N GLN A 69 -4.619 4.012 24.684 1.00 10.25 N ATOM 1071 CA GLN A 69 -4.104 5.389 24.737 1.00 9.29 C ATOM 1072 C GLN A 69 -4.665 6.191 23.557 1.00 9.05 C ATOM 1073 O GLN A 69 -4.962 5.627 22.509 1.00 10.56 O ATOM 1074 CB GLN A 69 -2.576 5.402 24.665 1.00 11.95 C ATOM 1075 CG GLN A 69 -1.873 4.801 25.877 1.00 12.31 C ATOM 1076 CD GLN A 69 -0.351 4.745 25.689 1.00 16.62 C ATOM 1077 OE1 GLN A 69 0.329 3.944 26.327 1.00 18.73 O ATOM 1078 NE2 GLN A 69 0.184 5.604 24.816 1.00 18.84 N ATOM 1079 H AGLN A 69 -4.013 3.243 24.660 0.01 9.71 H ATOM 1080 D BGLN A 69 -4.013 3.243 24.660 0.99 9.71 D ATOM 1081 HA GLN A 69 -4.426 5.854 25.664 1.00 10.21 H ATOM 1082 HB2 GLN A 69 -2.271 4.853 23.788 1.00 12.93 H ATOM 1083 HB3 GLN A 69 -2.249 6.427 24.556 1.00 13.03 H ATOM 1084 HG2 GLN A 69 -2.096 5.404 26.749 1.00 13.42 H ATOM 1085 HG3 GLN A 69 -2.246 3.800 26.041 1.00 16.56 H ATOM 1086 DE21 GLN A 69 -0.403 6.225 24.340 1.00 21.60 D ATOM 1087 DE22 GLN A 69 1.155 5.584 24.681 1.00 19.57 D ATOM 1088 N THR A 70 -4.769 7.506 23.711 1.00 7.94 N ATOM 1089 CA THR A 70 -5.337 8.340 22.651 1.00 8.83 C ATOM 1090 C THR A 70 -4.342 9.264 21.943 1.00 8.80 C ATOM 1091 O THR A 70 -4.748 10.237 21.306 1.00 10.95 O ATOM 1092 CB THR A 70 -6.503 9.161 23.218 1.00 10.53 C ATOM 1093 OG1 THR A 70 -6.111 9.838 24.405 1.00 10.51 O ATOM 1094 CG2 THR A 70 -7.682 8.293 23.579 1.00 13.78 C ATOM 1095 H ATHR A 70 -4.492 7.885 24.570 0.19 8.99 H ATOM 1096 D BTHR A 70 -4.492 7.885 24.570 0.81 8.99 D ATOM 1097 HA THR A 70 -5.745 7.681 21.900 1.00 8.48 H ATOM 1098 HB THR A 70 -6.816 9.885 22.477 1.00 12.41 H ATOM 1099 DG1 THR A 70 -5.819 10.731 24.197 1.00 13.08 D ATOM 1100 HG21 THR A 70 -7.766 8.229 24.653 1.00 14.77 H ATOM 1101 HG22 THR A 70 -7.541 7.304 23.171 1.00 16.35 H ATOM 1102 HG23 THR A 70 -8.583 8.725 23.176 1.00 14.47 H ATOM 1103 N ASN A 71 -3.052 8.949 22.025 1.00 8.82 N ATOM 1104 CA ASN A 71 -2.037 9.762 21.354 1.00 8.01 C ATOM 1105 C ASN A 71 -1.487 9.046 20.123 1.00 8.11 C ATOM 1106 O ASN A 71 -0.309 9.173 19.792 1.00 7.56 O ATOM 1107 CB ASN A 71 -0.885 10.108 22.308 1.00 8.94 C ATOM 1108 CG ASN A 71 -0.147 8.882 22.818 1.00 8.71 C ATOM 1109 OD1 ASN A 71 -0.753 7.869 23.154 1.00 9.87 O ATOM 1110 ND2 ASN A 71 1.182 8.982 22.894 1.00 10.31 N ATOM 1111 H AASN A 71 -2.792 8.191 22.590 0.08 8.57 H ATOM 1112 D BASN A 71 -2.792 8.191 22.590 0.92 8.57 D ATOM 1113 HA ASN A 71 -2.501 10.683 21.031 1.00 8.88 H ATOM 1114 HB2 ASN A 71 -0.183 10.737 21.783 1.00 9.64 H ATOM 1115 HB3 ASN A 71 -1.287 10.654 23.147 1.00 7.50 H ATOM 1116 DD21 ASN A 71 1.682 8.230 23.264 1.00 10.82 D ATOM 1117 DD22 ASN A 71 1.608 9.810 22.588 1.00 9.24 D ATOM 1118 N CYS A 72 -2.342 8.295 19.441 1.00 6.47 N ATOM 1119 CA CYS A 72 -1.919 7.580 18.247 1.00 6.85 C ATOM 1120 C CYS A 72 -2.564 8.177 17.015 1.00 7.05 C ATOM 1121 O CYS A 72 -3.608 8.819 17.098 1.00 6.65 O ATOM 1122 CB CYS A 72 -2.219 6.099 18.428 1.00 8.69 C ATOM 1123 SG CYS A 72 -1.323 5.582 19.931 1.00 11.44 S ATOM 1124 H ACYS A 72 -3.277 8.257 19.724 0.89 7.00 H ATOM 1125 D BCYS A 72 -3.277 8.257 19.724 0.11 7.00 D ATOM 1126 HA CYS A 72 -0.851 7.696 18.150 1.00 6.03 H ATOM 1127 HB2 CYS A 72 -3.281 5.946 18.577 1.00 10.17 H ATOM 1128 HB3 CYS A 72 -1.864 5.531 17.576 1.00 11.77 H ATOM 1129 N TYR A 73 -1.861 8.058 15.892 1.00 7.25 N ATOM 1130 CA TYR A 73 -2.311 8.623 14.628 1.00 8.39 C ATOM 1131 C TYR A 73 -2.082 7.655 13.480 1.00 8.23 C ATOM 1132 O TYR A 73 -1.083 6.941 13.447 1.00 6.08 O ATOM 1133 CB TYR A 73 -1.535 9.911 14.351 1.00 8.35 C ATOM 1134 CG TYR A 73 -1.749 10.983 15.396 1.00 9.27 C ATOM 1135 CD1 TYR A 73 -1.060 10.949 16.599 1.00 9.36 C ATOM 1136 CD2 TYR A 73 -2.657 12.013 15.186 1.00 12.24 C ATOM 1137 CE1 TYR A 73 -1.272 11.909 17.570 1.00 11.32 C ATOM 1138 CE2 TYR A 73 -2.866 12.981 16.148 1.00 13.84 C ATOM 1139 CZ TYR A 73 -2.174 12.924 17.338 1.00 13.17 C ATOM 1140 OH TYR A 73 -2.394 13.881 18.302 1.00 17.75 O ATOM 1141 H ATYR A 73 -1.008 7.585 15.910 0.99 6.62 H ATOM 1142 D BTYR A 73 -1.008 7.585 15.910 0.01 6.62 D ATOM 1143 HA TYR A 73 -3.362 8.857 14.690 1.00 8.52 H ATOM 1144 HB2 TYR A 73 -0.485 9.668 14.324 1.00 10.70 H ATOM 1145 HB3 TYR A 73 -1.830 10.297 13.385 1.00 10.16 H ATOM 1146 HD1 TYR A 73 -0.347 10.156 16.780 1.00 10.70 H ATOM 1147 HD2 TYR A 73 -3.202 12.063 14.255 1.00 13.79 H ATOM 1148 HE1 TYR A 73 -0.729 11.868 18.503 1.00 12.66 H ATOM 1149 HE2 TYR A 73 -3.571 13.779 15.970 1.00 12.82 H ATOM 1150 N GLN A 74 -3.008 7.670 12.525 1.00 8.00 N ATOM 1151 CA GLN A 74 -2.947 6.822 11.346 1.00 8.64 C ATOM 1152 C GLN A 74 -2.638 7.698 10.136 1.00 9.33 C ATOM 1153 O GLN A 74 -3.171 8.802 10.004 1.00 10.25 O ATOM 1154 CB GLN A 74 -4.286 6.095 11.155 1.00 11.22 C ATOM 1155 CG GLN A 74 -4.287 5.131 9.963 1.00 15.06 C ATOM 1156 CD GLN A 74 -5.576 4.331 9.862 1.00 20.77 C ATOM 1157 OE1 GLN A 74 -6.053 3.778 10.851 1.00 21.00 O ATOM 1158 NE2 GLN A 74 -6.126 4.238 8.654 1.00 25.72 N ATOM 1159 H AGLN A 74 -3.770 8.274 12.575 0.99 6.99 H ATOM 1160 D BGLN A 74 -3.770 8.274 12.575 0.01 6.99 D ATOM 1161 HA GLN A 74 -2.160 6.093 11.471 1.00 8.79 H ATOM 1162 HB2 GLN A 74 -4.501 5.533 12.056 1.00 11.52 H ATOM 1163 HB3 GLN A 74 -5.064 6.832 11.011 1.00 11.94 H ATOM 1164 HG2 GLN A 74 -4.152 5.697 9.051 1.00 15.55 H ATOM 1165 HG3 GLN A 74 -3.461 4.444 10.072 1.00 16.42 H ATOM 1166 DE21 GLN A 74 -5.704 4.716 7.906 1.00 26.62 D ATOM 1167 DE22 GLN A 74 -6.942 3.701 8.558 1.00 26.80 D ATOM 1168 N SER A 75 -1.747 7.216 9.278 1.00 8.02 N ATOM 1169 CA SER A 75 -1.355 7.943 8.078 1.00 8.94 C ATOM 1170 C SER A 75 -2.494 7.946 7.060 1.00 9.58 C ATOM 1171 O SER A 75 -3.188 6.944 6.889 1.00 9.51 O ATOM 1172 CB SER A 75 -0.109 7.296 7.466 1.00 7.67 C ATOM 1173 OG SER A 75 -0.374 5.963 7.076 1.00 7.70 O ATOM 1174 H ASER A 75 -1.357 6.333 9.450 0.99 8.40 H ATOM 1175 D BSER A 75 -1.357 6.333 9.450 0.01 8.40 D ATOM 1176 HA SER A 75 -1.121 8.963 8.344 1.00 9.15 H ATOM 1177 HB2 SER A 75 0.202 7.863 6.602 1.00 7.61 H ATOM 1178 HB3 SER A 75 0.688 7.298 8.196 1.00 7.53 H ATOM 1179 DG SER A 75 -0.646 5.950 6.164 1.00 11.10 D ATOM 1180 N TYR A 76 -2.704 9.097 6.422 1.00 12.73 N ATOM 1181 CA TYR A 76 -3.746 9.252 5.409 1.00 15.16 C ATOM 1182 C TYR A 76 -3.475 8.356 4.205 1.00 14.78 C ATOM 1183 O TYR A 76 -4.398 7.770 3.636 1.00 16.16 O ATOM 1184 CB TYR A 76 -3.813 10.706 4.932 1.00 16.28 C ATOM 1185 CG TYR A 76 -4.410 11.669 5.942 1.00 18.15 C ATOM 1186 CD1 TYR A 76 -5.472 11.290 6.754 1.00 19.88 C ATOM 1187 CD2 TYR A 76 -3.922 12.965 6.063 1.00 19.15 C ATOM 1188 CE1 TYR A 76 -6.029 12.174 7.657 1.00 20.38 C ATOM 1189 CE2 TYR A 76 -4.476 13.851 6.969 1.00 19.72 C ATOM 1190 CZ TYR A 76 -5.529 13.450 7.761 1.00 20.05 C ATOM 1191 OH TYR A 76 -6.093 14.326 8.663 1.00 22.03 O ATOM 1192 H ATYR A 76 -2.188 9.887 6.673 0.01 12.62 H ATOM 1193 D BTYR A 76 -2.188 9.887 6.673 0.99 12.62 D ATOM 1194 HA TYR A 76 -4.697 8.981 5.840 1.00 14.15 H ATOM 1195 HB2 TYR A 76 -2.813 11.035 4.698 1.00 17.55 H ATOM 1196 HB3 TYR A 76 -4.403 10.743 4.028 1.00 17.02 H ATOM 1197 HD1 TYR A 76 -5.868 10.290 6.679 1.00 19.25 H ATOM 1198 HD2 TYR A 76 -3.095 13.284 5.444 1.00 19.93 H ATOM 1199 HE1 TYR A 76 -6.855 11.863 8.281 1.00 20.70 H ATOM 1200 HE2 TYR A 76 -4.084 14.853 7.054 1.00 20.11 H ATOM 1201 DH TYR A 76 -5.521 15.089 8.773 1.00 23.69 D ATOM 1202 N SER A 77 -2.205 8.255 3.823 1.00 15.41 N ATOM 1203 CA SER A 77 -1.807 7.448 2.676 1.00 16.65 C ATOM 1204 C SER A 77 -1.061 6.187 3.095 1.00 15.44 C ATOM 1205 O SER A 77 -0.598 6.076 4.229 1.00 12.46 O ATOM 1206 CB SER A 77 -0.903 8.276 1.763 1.00 19.98 C ATOM 1207 OG SER A 77 -1.582 9.432 1.300 1.00 21.54 O ATOM 1208 H ASER A 77 -1.505 8.732 4.311 0.01 15.78 H ATOM 1209 D BSER A 77 -1.505 8.732 4.311 0.99 15.78 D ATOM 1210 HA SER A 77 -2.687 7.163 2.125 1.00 17.18 H ATOM 1211 HB2 SER A 77 -0.027 8.578 2.313 1.00 21.87 H ATOM 1212 HB3 SER A 77 -0.602 7.673 0.919 1.00 20.31 H ATOM 1213 N THR A 78 -0.954 5.237 2.169 1.00 14.35 N ATOM 1214 CA THR A 78 -0.236 3.997 2.432 1.00 14.09 C ATOM 1215 C THR A 78 1.259 4.264 2.279 1.00 10.90 C ATOM 1216 O THR A 78 1.671 5.191 1.583 1.00 10.89 O ATOM 1217 CB THR A 78 -0.664 2.885 1.462 1.00 16.39 C ATOM 1218 OG1 THR A 78 -0.601 3.347 0.127 1.00 19.68 O ATOM 1219 CG2 THR A 78 -2.071 2.410 1.710 1.00 18.17 C ATOM 1220 H ATHR A 78 -1.327 5.391 1.276 0.01 14.59 H ATOM 1221 D BTHR A 78 -1.327 5.391 1.276 0.99 14.59 D ATOM 1222 HA THR A 78 -0.437 3.682 3.444 1.00 14.03 H ATOM 1223 HB THR A 78 0.011 2.047 1.575 1.00 18.37 H ATOM 1224 DG1 THR A 78 0.305 3.577 -0.091 1.00 23.25 D ATOM 1225 HG21 THR A 78 -2.109 1.876 2.647 1.00 18.34 H ATOM 1226 HG22 THR A 78 -2.373 1.752 0.908 1.00 17.64 H ATOM 1227 HG23 THR A 78 -2.737 3.259 1.751 1.00 18.50 H ATOM 1228 N MET A 79 2.059 3.450 2.953 1.00 9.82 N ATOM 1229 CA MET A 79 3.510 3.573 2.925 1.00 8.64 C ATOM 1230 C MET A 79 4.138 2.207 2.700 1.00 7.87 C ATOM 1231 O MET A 79 3.528 1.175 2.975 1.00 7.94 O ATOM 1232 CB MET A 79 4.020 4.143 4.254 1.00 8.99 C ATOM 1233 CG MET A 79 3.515 5.548 4.541 1.00 10.39 C ATOM 1234 SD MET A 79 4.157 6.191 6.090 1.00 11.49 S ATOM 1235 CE MET A 79 3.860 7.933 5.867 1.00 13.34 C ATOM 1236 H AMET A 79 1.650 2.701 3.424 0.99 8.94 H ATOM 1237 D BMET A 79 1.650 2.701 3.424 0.01 8.94 D ATOM 1238 HA MET A 79 3.799 4.234 2.120 1.00 8.60 H ATOM 1239 HB2 MET A 79 3.703 3.491 5.057 1.00 11.33 H ATOM 1240 HB3 MET A 79 5.102 4.161 4.231 1.00 9.48 H ATOM 1241 HG2 MET A 79 3.811 6.200 3.729 1.00 10.40 H ATOM 1242 HG3 MET A 79 2.440 5.533 4.605 1.00 9.31 H ATOM 1243 HE1 MET A 79 4.460 8.299 5.049 1.00 12.72 H ATOM 1244 HE2 MET A 79 4.126 8.458 6.770 1.00 13.70 H ATOM 1245 HE3 MET A 79 2.815 8.096 5.649 1.00 13.64 H ATOM 1246 N SER A 80 5.357 2.218 2.177 1.00 7.20 N ATOM 1247 CA SER A 80 6.099 0.999 1.917 1.00 6.27 C ATOM 1248 C SER A 80 6.682 0.527 3.246 1.00 6.19 C ATOM 1249 O SER A 80 7.416 1.265 3.891 1.00 8.92 O ATOM 1250 CB SER A 80 7.228 1.287 0.932 1.00 8.32 C ATOM 1251 OG SER A 80 8.014 0.130 0.729 1.00 8.07 O ATOM 1252 H ASER A 80 5.777 3.079 1.981 0.01 7.13 H ATOM 1253 D BSER A 80 5.777 3.079 1.981 0.99 7.13 D ATOM 1254 HA SER A 80 5.437 0.244 1.509 1.00 7.45 H ATOM 1255 HB2 SER A 80 6.808 1.604 -0.009 1.00 8.18 H ATOM 1256 HB3 SER A 80 7.849 2.077 1.328 1.00 9.96 H ATOM 1257 DG SER A 80 8.809 0.380 0.263 1.00 9.29 D ATOM 1258 N ILE A 81 6.343 -0.691 3.657 1.00 5.09 N ATOM 1259 CA ILE A 81 6.836 -1.231 4.918 1.00 6.82 C ATOM 1260 C ILE A 81 7.313 -2.667 4.760 1.00 5.59 C ATOM 1261 O ILE A 81 7.003 -3.340 3.777 1.00 6.79 O ATOM 1262 CB ILE A 81 5.740 -1.223 6.019 1.00 9.03 C ATOM 1263 CG1 ILE A 81 4.592 -2.158 5.637 1.00 11.53 C ATOM 1264 CG2 ILE A 81 5.207 0.190 6.225 1.00 7.02 C ATOM 1265 CD1 ILE A 81 3.660 -2.427 6.781 1.00 16.50 C ATOM 1266 H AILE A 81 5.774 -1.237 3.081 0.91 6.19 H ATOM 1267 D BILE A 81 5.774 -1.237 3.081 0.09 6.19 D ATOM 1268 HA ILE A 81 7.661 -0.623 5.256 1.00 6.18 H ATOM 1269 HB ILE A 81 6.174 -1.571 6.944 1.00 6.63 H ATOM 1270 HG12 ILE A 81 4.033 -1.709 4.832 1.00 13.90 H ATOM 1271 HG13 ILE A 81 5.004 -3.096 5.292 1.00 13.85 H ATOM 1272 HG21 ILE A 81 6.027 0.856 6.458 1.00 9.77 H ATOM 1273 HG22 ILE A 81 4.497 0.191 7.040 1.00 10.73 H ATOM 1274 HG23 ILE A 81 4.719 0.528 5.322 1.00 9.97 H ATOM 1275 HD11 ILE A 81 4.196 -2.932 7.569 1.00 16.23 H ATOM 1276 HD12 ILE A 81 2.845 -3.046 6.442 1.00 15.95 H ATOM 1277 HD13 ILE A 81 3.271 -1.493 7.154 1.00 17.35 H ATOM 1278 N THR A 82 8.113 -3.108 5.720 1.00 6.87 N ATOM 1279 CA THR A 82 8.614 -4.469 5.730 1.00 6.43 C ATOM 1280 C THR A 82 8.397 -5.025 7.132 1.00 7.91 C ATOM 1281 O THR A 82 8.847 -4.439 8.120 1.00 5.60 O ATOM 1282 CB THR A 82 10.106 -4.525 5.392 1.00 5.68 C ATOM 1283 OG1 THR A 82 10.348 -3.980 4.105 1.00 6.77 O ATOM 1284 CG2 THR A 82 10.630 -5.952 5.392 1.00 6.12 C ATOM 1285 H ATHR A 82 8.338 -2.519 6.470 0.98 7.05 H ATOM 1286 D BTHR A 82 8.338 -2.519 6.470 0.02 7.05 D ATOM 1287 HA THR A 82 8.057 -5.061 5.015 1.00 7.32 H ATOM 1288 HB THR A 82 10.656 -3.952 6.126 1.00 4.63 H ATOM 1289 DG1 THR A 82 9.674 -4.261 3.486 1.00 9.43 D ATOM 1290 HG21 THR A 82 11.664 -5.955 5.087 1.00 5.82 H ATOM 1291 HG22 THR A 82 10.051 -6.550 4.702 1.00 7.82 H ATOM 1292 HG23 THR A 82 10.547 -6.368 6.386 1.00 8.58 H ATOM 1293 N ASP A 83 7.667 -6.130 7.211 1.00 7.02 N ATOM 1294 CA ASP A 83 7.390 -6.791 8.475 1.00 9.89 C ATOM 1295 C ASP A 83 8.374 -7.932 8.675 1.00 9.14 C ATOM 1296 O ASP A 83 8.609 -8.727 7.769 1.00 8.28 O ATOM 1297 CB ASP A 83 5.964 -7.345 8.499 1.00 14.90 C ATOM 1298 CG ASP A 83 4.984 -6.399 9.161 1.00 19.04 C ATOM 1299 OD1 ASP A 83 4.328 -6.821 10.138 1.00 21.67 O ATOM 1300 OD2 ASP A 83 4.871 -5.238 8.714 1.00 21.84 O ATOM 1301 H AASP A 83 7.294 -6.499 6.398 0.01 8.13 H ATOM 1302 D BASP A 83 7.294 -6.499 6.398 0.99 8.13 D ATOM 1303 HA ASP A 83 7.508 -6.081 9.279 1.00 10.42 H ATOM 1304 HB2 ASP A 83 5.643 -7.530 7.486 1.00 16.80 H ATOM 1305 HB3 ASP A 83 5.965 -8.278 9.038 1.00 15.80 H ATOM 1306 N CYS A 84 8.964 -7.973 9.863 1.00 6.69 N ATOM 1307 CA CYS A 84 9.918 -9.005 10.245 1.00 7.94 C ATOM 1308 C CYS A 84 9.297 -9.806 11.377 1.00 9.39 C ATOM 1309 O CYS A 84 8.900 -9.244 12.398 1.00 11.13 O ATOM 1310 CB CYS A 84 11.229 -8.375 10.713 1.00 6.02 C ATOM 1311 SG CYS A 84 12.009 -7.296 9.474 1.00 6.35 S ATOM 1312 H ACYS A 84 8.733 -7.286 10.517 0.61 8.19 H ATOM 1313 D BCYS A 84 8.733 -7.286 10.517 0.39 8.19 D ATOM 1314 HA CYS A 84 10.104 -9.656 9.404 1.00 6.20 H ATOM 1315 HB2 CYS A 84 11.045 -7.777 11.592 1.00 7.09 H ATOM 1316 HB3 CYS A 84 11.937 -9.155 10.955 1.00 6.92 H ATOM 1317 N ARG A 85 9.237 -11.122 11.200 1.00 9.79 N ATOM 1318 CA ARG A 85 8.639 -11.996 12.196 1.00 11.76 C ATOM 1319 C ARG A 85 9.545 -13.200 12.414 1.00 8.77 C ATOM 1320 O ARG A 85 9.939 -13.875 11.472 1.00 8.62 O ATOM 1321 CB ARG A 85 7.257 -12.432 11.715 1.00 17.28 C ATOM 1322 CG ARG A 85 6.333 -12.876 12.837 1.00 26.04 C ATOM 1323 CD ARG A 85 4.894 -12.927 12.345 1.00 30.56 C ATOM 1324 NE ARG A 85 4.497 -11.645 11.766 1.00 35.87 N ATOM 1325 CZ ARG A 85 3.735 -10.741 12.377 1.00 38.11 C ATOM 1326 NH1 ARG A 85 3.265 -10.966 13.598 1.00 39.01 N ATOM 1327 NH2 ARG A 85 3.498 -9.578 11.786 1.00 39.79 N ATOM 1328 H AARG A 85 9.610 -11.512 10.383 0.43 10.19 H ATOM 1329 D BARG A 85 9.610 -11.512 10.383 0.57 10.19 D ATOM 1330 HA ARG A 85 8.537 -11.456 13.129 1.00 11.64 H ATOM 1331 HB2 ARG A 85 6.796 -11.604 11.197 1.00 19.33 H ATOM 1332 HB3 ARG A 85 7.377 -13.250 11.018 1.00 18.59 H ATOM 1333 HG2 ARG A 85 6.631 -13.857 13.175 1.00 25.60 H ATOM 1334 HG3 ARG A 85 6.404 -12.177 13.655 1.00 26.69 H ATOM 1335 HD2 ARG A 85 4.803 -13.697 11.594 1.00 31.89 H ATOM 1336 HD3 ARG A 85 4.243 -13.162 13.174 1.00 31.70 H ATOM 1337 DE ARG A 85 4.838 -11.389 10.883 1.00 37.62 D ATOM 1338 DH11 ARG A 85 3.474 -11.826 14.066 1.00 39.90 D ATOM 1339 DH12 ARG A 85 2.700 -10.276 14.050 1.00 38.02 D ATOM 1340 DH21 ARG A 85 2.924 -8.890 12.237 1.00 39.97 D ATOM 1341 DH22 ARG A 85 3.898 -9.387 10.889 1.00 40.13 D ATOM 1342 N GLU A 86 9.861 -13.456 13.676 1.00 9.63 N ATOM 1343 CA GLU A 86 10.742 -14.543 14.073 1.00 9.59 C ATOM 1344 C GLU A 86 10.245 -15.905 13.572 1.00 10.29 C ATOM 1345 O GLU A 86 9.058 -16.213 13.675 1.00 10.22 O ATOM 1346 CB GLU A 86 10.843 -14.531 15.597 1.00 11.42 C ATOM 1347 CG GLU A 86 11.843 -15.501 16.144 1.00 12.66 C ATOM 1348 CD GLU A 86 12.045 -15.333 17.640 1.00 12.44 C ATOM 1349 OE1 GLU A 86 11.082 -14.958 18.340 1.00 13.30 O ATOM 1350 OE2 GLU A 86 13.170 -15.578 18.111 1.00 13.25 O ATOM 1351 H AGLU A 86 9.418 -12.962 14.392 0.12 9.47 H ATOM 1352 D BGLU A 86 9.418 -12.962 14.392 0.88 9.47 D ATOM 1353 HA GLU A 86 11.723 -14.359 13.663 1.00 8.20 H ATOM 1354 HB2 GLU A 86 11.117 -13.536 15.921 1.00 12.22 H ATOM 1355 HB3 GLU A 86 9.872 -14.767 16.004 1.00 10.91 H ATOM 1356 HG2 GLU A 86 11.499 -16.504 15.944 1.00 13.51 H ATOM 1357 HG3 GLU A 86 12.786 -15.350 15.643 1.00 12.61 H ATOM 1358 N THR A 87 11.151 -16.693 12.992 1.00 10.00 N ATOM 1359 CA THR A 87 10.800 -18.019 12.479 1.00 11.47 C ATOM 1360 C THR A 87 10.995 -19.084 13.551 1.00 11.06 C ATOM 1361 O THR A 87 11.513 -18.807 14.633 1.00 11.99 O ATOM 1362 CB THR A 87 11.661 -18.388 11.261 1.00 11.82 C ATOM 1363 OG1 THR A 87 13.015 -18.527 11.646 1.00 14.23 O ATOM 1364 CG2 THR A 87 11.614 -17.354 10.157 1.00 14.24 C ATOM 1365 H ATHR A 87 12.069 -16.379 12.876 0.01 10.49 H ATOM 1366 D BTHR A 87 12.069 -16.379 12.876 0.99 10.49 D ATOM 1367 HA THR A 87 9.762 -18.010 12.183 1.00 10.51 H ATOM 1368 HB THR A 87 11.312 -19.332 10.868 1.00 13.12 H ATOM 1369 DG1 THR A 87 13.533 -18.784 10.881 1.00 16.49 D ATOM 1370 HG21 THR A 87 10.762 -17.539 9.521 1.00 15.90 H ATOM 1371 HG22 THR A 87 12.517 -17.420 9.567 1.00 15.18 H ATOM 1372 HG23 THR A 87 11.535 -16.367 10.586 1.00 14.37 H ATOM 1373 N GLY A 88 10.609 -20.315 13.219 1.00 10.88 N ATOM 1374 CA GLY A 88 10.739 -21.418 14.151 1.00 11.00 C ATOM 1375 C GLY A 88 12.175 -21.849 14.387 1.00 11.18 C ATOM 1376 O GLY A 88 12.469 -22.470 15.413 1.00 13.17 O ATOM 1377 H AGLY A 88 10.175 -20.456 12.356 0.17 11.05 H ATOM 1378 D BGLY A 88 10.175 -20.456 12.356 0.83 11.05 D ATOM 1379 HA2 GLY A 88 10.308 -21.122 15.096 1.00 11.67 H ATOM 1380 HA3 GLY A 88 10.187 -22.263 13.767 1.00 11.50 H ATOM 1381 N SER A 89 13.073 -21.520 13.460 1.00 10.19 N ATOM 1382 CA SER A 89 14.479 -21.898 13.586 1.00 12.61 C ATOM 1383 C SER A 89 15.315 -20.847 14.311 1.00 11.13 C ATOM 1384 O SER A 89 16.524 -21.013 14.467 1.00 12.25 O ATOM 1385 CB SER A 89 15.081 -22.143 12.201 1.00 14.07 C ATOM 1386 OG SER A 89 14.538 -23.316 11.626 1.00 16.14 O ATOM 1387 H ASER A 89 12.811 -21.008 12.668 0.02 11.21 H ATOM 1388 D BSER A 89 12.811 -21.008 12.668 0.98 11.21 D ATOM 1389 HA SER A 89 14.534 -22.818 14.144 1.00 12.84 H ATOM 1390 HB2 SER A 89 14.862 -21.302 11.563 1.00 16.20 H ATOM 1391 HB3 SER A 89 16.153 -22.253 12.296 1.00 16.12 H ATOM 1392 DG SER A 89 14.694 -24.054 12.225 1.00 16.99 D ATOM 1393 N SER A 90 14.674 -19.771 14.756 1.00 10.98 N ATOM 1394 CA SER A 90 15.377 -18.709 15.458 1.00 11.50 C ATOM 1395 C SER A 90 15.790 -19.173 16.855 1.00 9.92 C ATOM 1396 O SER A 90 14.982 -19.737 17.592 1.00 11.74 O ATOM 1397 CB SER A 90 14.474 -17.490 15.580 1.00 11.30 C ATOM 1398 OG SER A 90 15.149 -16.450 16.268 1.00 11.98 O ATOM 1399 H ASER A 90 13.703 -19.688 14.647 0.01 11.24 H ATOM 1400 D BSER A 90 13.703 -19.688 14.647 0.99 11.24 D ATOM 1401 HA SER A 90 16.260 -18.435 14.899 1.00 11.41 H ATOM 1402 HB2 SER A 90 14.195 -17.147 14.592 1.00 12.68 H ATOM 1403 HB3 SER A 90 13.583 -17.765 16.131 1.00 12.90 H ATOM 1404 DG SER A 90 14.511 -15.865 16.666 1.00 12.94 D ATOM 1405 N LYS A 91 17.062 -18.974 17.187 1.00 11.84 N ATOM 1406 CA LYS A 91 17.588 -19.349 18.493 1.00 13.40 C ATOM 1407 C LYS A 91 18.739 -18.408 18.821 1.00 11.55 C ATOM 1408 O LYS A 91 19.769 -18.420 18.149 1.00 12.18 O ATOM 1409 CB LYS A 91 18.086 -20.800 18.488 1.00 18.56 C ATOM 1410 CG LYS A 91 18.582 -21.256 19.857 1.00 23.32 C ATOM 1411 CD LYS A 91 19.034 -22.711 19.836 1.00 28.36 C ATOM 1412 CE LYS A 91 19.555 -23.134 21.204 1.00 29.75 C ATOM 1413 NZ LYS A 91 19.908 -24.583 21.231 1.00 32.84 N ATOM 1414 H ALYS A 91 17.706 -18.646 16.531 0.01 11.83 H ATOM 1415 D BLYS A 91 17.706 -18.646 16.531 0.99 11.83 D ATOM 1416 HA LYS A 91 16.808 -19.237 19.237 1.00 13.65 H ATOM 1417 HB2 LYS A 91 17.278 -21.447 18.177 1.00 19.65 H ATOM 1418 HB3 LYS A 91 18.896 -20.887 17.777 1.00 18.97 H ATOM 1419 HG2 LYS A 91 19.411 -20.632 20.157 1.00 23.98 H ATOM 1420 HG3 LYS A 91 17.783 -21.148 20.576 1.00 24.95 H ATOM 1421 HD2 LYS A 91 18.197 -23.337 19.563 1.00 28.30 H ATOM 1422 HD3 LYS A 91 19.820 -22.829 19.107 1.00 28.02 H ATOM 1423 HE2 LYS A 91 20.435 -22.554 21.438 1.00 31.19 H ATOM 1424 HE3 LYS A 91 18.796 -22.940 21.947 1.00 30.96 H ATOM 1425 N TYR A 92 18.557 -17.605 19.864 1.00 9.32 N ATOM 1426 CA TYR A 92 19.559 -16.632 20.301 1.00 10.56 C ATOM 1427 C TYR A 92 20.928 -17.317 20.457 1.00 11.61 C ATOM 1428 O TYR A 92 21.009 -18.427 20.986 1.00 12.38 O ATOM 1429 CB TYR A 92 19.111 -16.004 21.631 1.00 9.66 C ATOM 1430 CG TYR A 92 20.028 -14.896 22.100 1.00 9.46 C ATOM 1431 CD1 TYR A 92 19.845 -13.580 21.678 1.00 7.28 C ATOM 1432 CD2 TYR A 92 21.092 -15.173 22.941 1.00 9.69 C ATOM 1433 CE1 TYR A 92 20.709 -12.583 22.087 1.00 9.12 C ATOM 1434 CE2 TYR A 92 21.944 -14.186 23.354 1.00 9.46 C ATOM 1435 CZ TYR A 92 21.755 -12.895 22.927 1.00 10.36 C ATOM 1436 OH TYR A 92 22.632 -11.926 23.344 1.00 12.33 O ATOM 1437 H ATYR A 92 17.718 -17.670 20.362 0.01 10.33 H ATOM 1438 D BTYR A 92 17.718 -17.670 20.362 0.99 10.33 D ATOM 1439 HA TYR A 92 19.636 -15.856 19.553 1.00 10.15 H ATOM 1440 HB2 TYR A 92 18.116 -15.600 21.506 1.00 10.00 H ATOM 1441 HB3 TYR A 92 19.082 -16.778 22.389 1.00 11.35 H ATOM 1442 HD1 TYR A 92 19.020 -13.338 21.023 1.00 11.71 H ATOM 1443 HD2 TYR A 92 21.246 -16.187 23.282 1.00 9.59 H ATOM 1444 HE1 TYR A 92 20.559 -11.563 21.756 1.00 8.43 H ATOM 1445 HE2 TYR A 92 22.765 -14.424 24.010 1.00 11.83 H ATOM 1446 DH TYR A 92 22.159 -11.109 23.501 1.00 12.40 D ATOM 1447 N PRO A 93 22.026 -16.644 20.048 1.00 12.36 N ATOM 1448 CA PRO A 93 22.131 -15.303 19.452 1.00 13.51 C ATOM 1449 C PRO A 93 21.898 -15.237 17.943 1.00 13.32 C ATOM 1450 O PRO A 93 22.022 -14.172 17.338 1.00 13.94 O ATOM 1451 CB PRO A 93 23.558 -14.893 19.794 1.00 15.27 C ATOM 1452 CG PRO A 93 24.317 -16.170 19.791 1.00 15.41 C ATOM 1453 CD PRO A 93 23.356 -17.268 20.180 1.00 14.62 C ATOM 1454 HA PRO A 93 21.444 -14.636 19.952 1.00 13.68 H ATOM 1455 HB2 PRO A 93 23.945 -14.213 19.045 1.00 15.26 H ATOM 1456 HB3 PRO A 93 23.599 -14.445 20.772 1.00 15.42 H ATOM 1457 HG2 PRO A 93 24.715 -16.358 18.804 1.00 16.00 H ATOM 1458 HG3 PRO A 93 25.120 -16.125 20.508 1.00 15.62 H ATOM 1459 HD2 PRO A 93 23.441 -18.102 19.503 1.00 15.32 H ATOM 1460 HD3 PRO A 93 23.535 -17.583 21.203 1.00 14.92 H ATOM 1461 N ASN A 94 21.590 -16.378 17.337 1.00 12.67 N ATOM 1462 CA ASN A 94 21.341 -16.440 15.903 1.00 14.77 C ATOM 1463 C ASN A 94 19.845 -16.310 15.644 1.00 11.30 C ATOM 1464 O ASN A 94 19.165 -17.286 15.326 1.00 12.62 O ATOM 1465 CB ASN A 94 21.870 -17.761 15.342 1.00 17.22 C ATOM 1466 CG ASN A 94 23.362 -17.921 15.559 1.00 21.86 C ATOM 1467 OD1 ASN A 94 24.158 -17.068 15.165 1.00 23.49 O ATOM 1468 ND2 ASN A 94 23.744 -18.992 16.236 1.00 24.21 N ATOM 1469 H AASN A 94 21.471 -17.194 17.863 0.01 13.55 H ATOM 1470 D BASN A 94 21.471 -17.194 17.863 0.99 13.55 D ATOM 1471 HA ASN A 94 21.852 -15.621 15.415 1.00 14.25 H ATOM 1472 HB2 ASN A 94 21.361 -18.575 15.834 1.00 18.35 H ATOM 1473 HB3 ASN A 94 21.662 -17.805 14.284 1.00 18.66 H ATOM 1474 DD21 ASN A 94 23.052 -19.607 16.557 1.00 24.72 D ATOM 1475 DD22 ASN A 94 24.703 -19.124 16.395 1.00 26.93 D ATOM 1476 N CYS A 95 19.344 -15.088 15.789 1.00 10.20 N ATOM 1477 CA CYS A 95 17.930 -14.789 15.573 1.00 7.87 C ATOM 1478 C CYS A 95 17.634 -14.855 14.072 1.00 8.26 C ATOM 1479 O CYS A 95 18.429 -14.377 13.257 1.00 9.82 O ATOM 1480 CB CYS A 95 17.611 -13.389 16.102 1.00 7.73 C ATOM 1481 SG CYS A 95 18.112 -13.100 17.832 1.00 7.74 S ATOM 1482 H ACYS A 95 19.954 -14.353 16.005 0.38 9.12 H ATOM 1483 D BCYS A 95 19.954 -14.353 16.005 0.62 9.12 D ATOM 1484 HA CYS A 95 17.323 -15.519 16.095 1.00 8.42 H ATOM 1485 HB2 CYS A 95 18.139 -12.665 15.502 1.00 9.12 H ATOM 1486 HB3 CYS A 95 16.548 -13.213 16.026 1.00 6.34 H ATOM 1487 N ALA A 96 16.483 -15.421 13.722 1.00 7.86 N ATOM 1488 CA ALA A 96 16.076 -15.571 12.325 1.00 8.53 C ATOM 1489 C ALA A 96 14.670 -15.010 12.126 1.00 7.65 C ATOM 1490 O ALA A 96 13.796 -15.176 12.979 1.00 8.29 O ATOM 1491 CB ALA A 96 16.122 -17.031 11.936 1.00 10.43 C ATOM 1492 H AALA A 96 15.837 -15.647 14.417 0.15 8.12 H ATOM 1493 D BALA A 96 15.837 -15.647 14.417 0.85 8.12 D ATOM 1494 HA ALA A 96 16.763 -15.016 11.696 1.00 8.18 H ATOM 1495 HB1 ALA A 96 15.757 -17.147 10.928 1.00 9.38 H ATOM 1496 HB2 ALA A 96 15.504 -17.601 12.612 1.00 11.31 H ATOM 1497 HB3 ALA A 96 17.140 -17.385 11.996 1.00 10.90 H ATOM 1498 N TYR A 97 14.453 -14.389 10.969 1.00 6.94 N ATOM 1499 CA TYR A 97 13.181 -13.744 10.657 1.00 7.94 C ATOM 1500 C TYR A 97 12.699 -13.977 9.236 1.00 6.61 C ATOM 1501 O TYR A 97 13.483 -14.214 8.321 1.00 8.69 O ATOM 1502 CB TYR A 97 13.332 -12.227 10.820 1.00 4.77 C ATOM 1503 CG TYR A 97 13.709 -11.817 12.218 1.00 6.06 C ATOM 1504 CD1 TYR A 97 12.736 -11.482 13.145 1.00 6.91 C ATOM 1505 CD2 TYR A 97 15.035 -11.799 12.612 1.00 4.56 C ATOM 1506 CE1 TYR A 97 13.076 -11.144 14.429 1.00 6.18 C ATOM 1507 CE2 TYR A 97 15.383 -11.455 13.889 1.00 5.21 C ATOM 1508 CZ TYR A 97 14.402 -11.130 14.798 1.00 7.02 C ATOM 1509 OH TYR A 97 14.756 -10.799 16.081 1.00 8.23 O ATOM 1510 H ATYR A 97 15.168 -14.408 10.298 0.23 7.46 H ATOM 1511 D BTYR A 97 15.168 -14.408 10.298 0.77 7.46 D ATOM 1512 HA TYR A 97 12.431 -14.086 11.355 1.00 7.31 H ATOM 1513 HB2 TYR A 97 14.105 -11.884 10.144 1.00 5.59 H ATOM 1514 HB3 TYR A 97 12.399 -11.749 10.549 1.00 8.09 H ATOM 1515 HD1 TYR A 97 11.695 -11.492 12.853 1.00 8.54 H ATOM 1516 HD2 TYR A 97 15.806 -12.056 11.901 1.00 6.93 H ATOM 1517 HE1 TYR A 97 12.308 -10.881 15.143 1.00 9.34 H ATOM 1518 HE2 TYR A 97 16.422 -11.444 14.185 1.00 7.52 H ATOM 1519 DH TYR A 97 13.974 -10.777 16.621 1.00 11.42 D ATOM 1520 N LYS A 98 11.386 -13.869 9.075 1.00 6.90 N ATOM 1521 CA LYS A 98 10.737 -13.968 7.782 1.00 9.19 C ATOM 1522 C LYS A 98 10.457 -12.527 7.348 1.00 6.77 C ATOM 1523 O LYS A 98 9.928 -11.731 8.125 1.00 7.40 O ATOM 1524 CB LYS A 98 9.425 -14.742 7.880 1.00 12.44 C ATOM 1525 CG LYS A 98 8.732 -14.866 6.532 1.00 19.51 C ATOM 1526 CD LYS A 98 7.466 -15.689 6.622 1.00 24.97 C ATOM 1527 CE LYS A 98 6.918 -15.966 5.232 1.00 27.48 C ATOM 1528 NZ LYS A 98 6.653 -14.696 4.499 1.00 31.37 N ATOM 1529 H ALYS A 98 10.851 -13.600 9.845 0.77 5.46 H ATOM 1530 D BLYS A 98 10.851 -13.600 9.845 0.23 5.46 D ATOM 1531 HA LYS A 98 11.397 -14.445 7.069 1.00 8.94 H ATOM 1532 HB2 LYS A 98 9.636 -15.733 8.257 1.00 13.18 H ATOM 1533 HB3 LYS A 98 8.768 -14.234 8.572 1.00 14.65 H ATOM 1534 HG2 LYS A 98 8.484 -13.878 6.171 1.00 19.43 H ATOM 1535 HG3 LYS A 98 9.405 -15.335 5.833 1.00 20.93 H ATOM 1536 HD2 LYS A 98 7.683 -16.624 7.116 1.00 25.30 H ATOM 1537 HD3 LYS A 98 6.729 -15.145 7.190 1.00 25.17 H ATOM 1538 HE2 LYS A 98 7.639 -16.550 4.679 1.00 28.92 H ATOM 1539 HE3 LYS A 98 5.999 -16.523 5.320 1.00 28.76 H ATOM 1540 N THR A 99 10.820 -12.198 6.112 1.00 5.61 N ATOM 1541 CA THR A 99 10.621 -10.851 5.571 1.00 6.14 C ATOM 1542 C THR A 99 9.355 -10.763 4.713 1.00 7.35 C ATOM 1543 O THR A 99 9.187 -11.528 3.764 1.00 7.64 O ATOM 1544 CB THR A 99 11.829 -10.458 4.710 1.00 7.39 C ATOM 1545 OG1 THR A 99 13.005 -10.413 5.504 1.00 8.13 O ATOM 1546 CG2 THR A 99 11.676 -9.089 4.080 1.00 7.08 C ATOM 1547 H ATHR A 99 11.238 -12.877 5.543 0.07 6.00 H ATOM 1548 D BTHR A 99 11.238 -12.877 5.543 0.93 6.00 D ATOM 1549 HA THR A 99 10.538 -10.152 6.392 1.00 7.34 H ATOM 1550 HB THR A 99 11.957 -11.194 3.925 1.00 9.18 H ATOM 1551 DG1 THR A 99 13.321 -11.295 5.683 1.00 10.07 D ATOM 1552 HG21 THR A 99 12.565 -8.850 3.518 1.00 7.19 H ATOM 1553 HG22 THR A 99 11.535 -8.352 4.856 1.00 10.28 H ATOM 1554 HG23 THR A 99 10.820 -9.083 3.421 1.00 8.80 H ATOM 1555 N THR A 100 8.478 -9.819 5.044 1.00 6.79 N ATOM 1556 CA THR A 100 7.245 -9.607 4.286 1.00 8.27 C ATOM 1557 C THR A 100 7.169 -8.137 3.880 1.00 7.80 C ATOM 1558 O THR A 100 7.181 -7.258 4.729 1.00 9.35 O ATOM 1559 CB THR A 100 6.012 -9.962 5.131 1.00 12.64 C ATOM 1560 OG1 THR A 100 6.050 -11.323 5.520 1.00 15.60 O ATOM 1561 CG2 THR A 100 4.717 -9.747 4.385 1.00 17.99 C ATOM 1562 H ATHR A 100 8.654 -9.276 5.827 0.85 6.51 H ATOM 1563 D BTHR A 100 8.654 -9.276 5.827 0.15 6.51 D ATOM 1564 HA THR A 100 7.262 -10.223 3.397 1.00 8.08 H ATOM 1565 HB THR A 100 6.009 -9.346 6.015 1.00 14.67 H ATOM 1566 DG1 THR A 100 6.514 -11.395 6.357 1.00 16.22 D ATOM 1567 HG21 THR A 100 4.316 -8.778 4.635 1.00 18.40 H ATOM 1568 HG22 THR A 100 4.007 -10.512 4.660 1.00 16.59 H ATOM 1569 HG23 THR A 100 4.901 -9.795 3.325 1.00 17.73 H ATOM 1570 N GLN A 101 7.098 -7.880 2.578 1.00 9.17 N ATOM 1571 CA GLN A 101 7.018 -6.520 2.040 1.00 9.57 C ATOM 1572 C GLN A 101 5.564 -6.199 1.678 1.00 10.36 C ATOM 1573 O GLN A 101 4.872 -7.036 1.088 1.00 11.32 O ATOM 1574 CB GLN A 101 7.915 -6.434 0.802 1.00 10.46 C ATOM 1575 CG GLN A 101 7.840 -5.116 0.043 1.00 12.27 C ATOM 1576 CD GLN A 101 8.370 -3.946 0.847 1.00 10.40 C ATOM 1577 OE1 GLN A 101 9.361 -4.068 1.564 1.00 10.68 O ATOM 1578 NE2 GLN A 101 7.717 -2.799 0.719 1.00 11.84 N ATOM 1579 H AGLN A 101 7.101 -8.623 1.936 0.08 8.91 H ATOM 1580 D BGLN A 101 7.101 -8.623 1.936 0.92 8.91 D ATOM 1581 HA GLN A 101 7.367 -5.816 2.783 1.00 10.50 H ATOM 1582 HB2 GLN A 101 8.938 -6.588 1.115 1.00 11.93 H ATOM 1583 HB3 GLN A 101 7.640 -7.233 0.130 1.00 11.43 H ATOM 1584 HG2 GLN A 101 8.422 -5.206 -0.861 1.00 12.33 H ATOM 1585 HG3 GLN A 101 6.812 -4.923 -0.226 1.00 11.01 H ATOM 1586 DE21 GLN A 101 6.913 -2.790 0.164 1.00 11.55 D ATOM 1587 DE22 GLN A 101 8.051 -2.012 1.198 1.00 12.98 D ATOM 1588 N ALA A 102 5.103 -5.001 2.041 1.00 9.02 N ATOM 1589 CA ALA A 102 3.728 -4.588 1.755 1.00 11.46 C ATOM 1590 C ALA A 102 3.565 -3.067 1.779 1.00 10.64 C ATOM 1591 O ALA A 102 4.483 -2.340 2.148 1.00 10.32 O ATOM 1592 CB ALA A 102 2.781 -5.211 2.777 1.00 12.99 C ATOM 1593 H AALA A 102 5.705 -4.383 2.505 0.93 11.23 H ATOM 1594 D BALA A 102 5.705 -4.383 2.505 0.07 11.23 D ATOM 1595 HA ALA A 102 3.458 -4.947 0.774 1.00 11.69 H ATOM 1596 HB1 ALA A 102 2.842 -4.663 3.708 1.00 15.79 H ATOM 1597 HB2 ALA A 102 3.060 -6.240 2.946 1.00 14.16 H ATOM 1598 HB3 ALA A 102 1.769 -5.171 2.403 1.00 16.00 H ATOM 1599 N ASN A 103 2.394 -2.605 1.345 1.00 11.71 N ATOM 1600 CA ASN A 103 2.051 -1.182 1.340 1.00 11.38 C ATOM 1601 C ASN A 103 0.805 -1.036 2.204 1.00 11.65 C ATOM 1602 O ASN A 103 -0.284 -1.465 1.822 1.00 12.24 O ATOM 1603 CB ASN A 103 1.771 -0.676 -0.080 1.00 14.36 C ATOM 1604 CG ASN A 103 3.020 -0.646 -0.938 1.00 18.82 C ATOM 1605 OD1 ASN A 103 3.503 -1.685 -1.382 1.00 22.71 O ATOM 1606 ND2 ASN A 103 3.566 0.546 -1.153 1.00 24.39 N ATOM 1607 H AASN A 103 1.757 -3.241 0.965 0.01 11.37 H ATOM 1608 D BASN A 103 1.757 -3.241 0.965 0.99 11.37 D ATOM 1609 HA ASN A 103 2.866 -0.616 1.777 1.00 10.33 H ATOM 1610 HB2 ASN A 103 1.038 -1.322 -0.548 1.00 14.79 H ATOM 1611 HB3 ASN A 103 1.366 0.324 -0.016 1.00 17.00 H ATOM 1612 DD21 ASN A 103 3.131 1.340 -0.767 1.00 24.85 D ATOM 1613 DD22 ASN A 103 4.383 0.589 -1.697 1.00 24.69 D ATOM 1614 N LYS A 104 0.979 -0.441 3.379 1.00 9.70 N ATOM 1615 CA LYS A 104 -0.109 -0.272 4.333 1.00 10.14 C ATOM 1616 C LYS A 104 -0.062 1.097 4.999 1.00 9.04 C ATOM 1617 O LYS A 104 0.946 1.792 4.938 1.00 9.58 O ATOM 1618 CB LYS A 104 0.024 -1.324 5.444 1.00 14.81 C ATOM 1619 CG LYS A 104 -0.120 -2.766 4.985 1.00 20.56 C ATOM 1620 CD LYS A 104 -1.559 -3.077 4.623 1.00 26.96 C ATOM 1621 CE LYS A 104 -1.723 -4.544 4.276 1.00 30.70 C ATOM 1622 NZ LYS A 104 -3.155 -4.868 4.037 1.00 33.48 N ATOM 1623 H ALYS A 104 1.863 -0.086 3.604 0.99 9.60 H ATOM 1624 D BLYS A 104 1.863 -0.086 3.604 0.01 9.60 D ATOM 1625 HA LYS A 104 -1.054 -0.402 3.832 1.00 10.68 H ATOM 1626 HB2 LYS A 104 0.998 -1.214 5.900 1.00 12.74 H ATOM 1627 HB3 LYS A 104 -0.725 -1.125 6.197 1.00 12.31 H ATOM 1628 HG2 LYS A 104 0.509 -2.929 4.122 1.00 21.68 H ATOM 1629 HG3 LYS A 104 0.194 -3.423 5.783 1.00 23.04 H ATOM 1630 HD2 LYS A 104 -2.198 -2.837 5.460 1.00 27.34 H ATOM 1631 HD3 LYS A 104 -1.847 -2.480 3.773 1.00 27.43 H ATOM 1632 HE2 LYS A 104 -1.154 -4.761 3.385 1.00 31.09 H ATOM 1633 HE3 LYS A 104 -1.353 -5.146 5.091 1.00 31.03 H ATOM 1634 DZ1 LYS A 104 -3.500 -4.327 3.218 1.00 33.79 D ATOM 1635 DZ2 LYS A 104 -3.252 -5.887 3.847 1.00 34.92 D ATOM 1636 DZ3 LYS A 104 -3.711 -4.616 4.881 1.00 33.55 D ATOM 1637 N HIS A 105 -1.167 1.461 5.645 1.00 8.46 N ATOM 1638 CA HIS A 105 -1.246 2.698 6.414 1.00 10.45 C ATOM 1639 C HIS A 105 -0.543 2.347 7.729 1.00 9.60 C ATOM 1640 O HIS A 105 -0.585 1.193 8.153 1.00 8.87 O ATOM 1641 CB HIS A 105 -2.702 3.072 6.723 1.00 11.22 C ATOM 1642 CG HIS A 105 -3.529 3.365 5.510 1.00 15.25 C ATOM 1643 ND1 HIS A 105 -3.792 4.647 5.083 1.00 18.67 N ATOM 1644 CD2 HIS A 105 -4.189 2.548 4.654 1.00 16.63 C ATOM 1645 CE1 HIS A 105 -4.575 4.616 4.019 1.00 19.37 C ATOM 1646 NE2 HIS A 105 -4.830 3.349 3.741 1.00 19.38 N ATOM 1647 H AHIS A 105 -1.921 0.852 5.653 0.01 9.18 H ATOM 1648 D BHIS A 105 -1.921 0.852 5.653 0.99 9.18 D ATOM 1649 HA HIS A 105 -0.732 3.506 5.905 1.00 7.15 H ATOM 1650 HB2 HIS A 105 -3.160 2.256 7.260 1.00 13.54 H ATOM 1651 HB3 HIS A 105 -2.703 3.945 7.360 1.00 13.75 H ATOM 1652 DD1 HIS A 105 -3.449 5.461 5.508 1.00 22.01 D ATOM 1653 HD2 HIS A 105 -4.194 1.466 4.671 1.00 19.50 H ATOM 1654 HE1 HIS A 105 -4.951 5.474 3.478 1.00 21.27 H ATOM 1655 DE2 HIS A 105 -5.389 3.034 3.002 1.00 23.30 D ATOM 1656 N ILE A 106 0.121 3.306 8.364 1.00 8.95 N ATOM 1657 CA ILE A 106 0.789 3.018 9.630 1.00 9.16 C ATOM 1658 C ILE A 106 0.133 3.811 10.745 1.00 7.06 C ATOM 1659 O ILE A 106 -0.499 4.838 10.504 1.00 4.80 O ATOM 1660 CB ILE A 106 2.304 3.357 9.589 1.00 8.93 C ATOM 1661 CG1 ILE A 106 2.523 4.867 9.429 1.00 11.80 C ATOM 1662 CG2 ILE A 106 2.954 2.595 8.452 1.00 10.06 C ATOM 1663 CD1 ILE A 106 3.991 5.294 9.577 1.00 10.07 C ATOM 1664 H AILE A 106 0.159 4.199 7.968 0.99 8.52 H ATOM 1665 D BILE A 106 0.159 4.199 7.968 0.01 8.52 D ATOM 1666 HA ILE A 106 0.679 1.965 9.849 1.00 8.52 H ATOM 1667 HB ILE A 106 2.752 3.036 10.518 1.00 7.90 H ATOM 1668 HG12 ILE A 106 2.175 5.163 8.453 1.00 11.97 H ATOM 1669 HG13 ILE A 106 1.939 5.382 10.179 1.00 12.69 H ATOM 1670 HG21 ILE A 106 2.368 1.717 8.227 1.00 13.18 H ATOM 1671 HG22 ILE A 106 3.950 2.298 8.741 1.00 10.95 H ATOM 1672 HG23 ILE A 106 3.004 3.225 7.578 1.00 11.58 H ATOM 1673 HD11 ILE A 106 4.297 5.191 10.609 1.00 12.89 H ATOM 1674 HD12 ILE A 106 4.095 6.328 9.272 1.00 12.74 H ATOM 1675 HD13 ILE A 106 4.614 4.671 8.952 1.00 11.01 H ATOM 1676 N ILE A 107 0.233 3.282 11.961 1.00 5.20 N ATOM 1677 CA ILE A 107 -0.318 3.926 13.140 1.00 5.73 C ATOM 1678 C ILE A 107 0.825 4.047 14.143 1.00 7.09 C ATOM 1679 O ILE A 107 1.446 3.052 14.504 1.00 6.43 O ATOM 1680 CB ILE A 107 -1.465 3.109 13.766 1.00 6.28 C ATOM 1681 CG1 ILE A 107 -2.633 3.008 12.780 1.00 10.42 C ATOM 1682 CG2 ILE A 107 -1.939 3.779 15.065 1.00 7.73 C ATOM 1683 CD1 ILE A 107 -3.700 2.023 13.220 1.00 13.60 C ATOM 1684 H AILE A 107 0.760 2.464 12.071 0.84 3.98 H ATOM 1685 D BILE A 107 0.760 2.464 12.071 0.16 3.98 D ATOM 1686 HA ILE A 107 -0.681 4.909 12.868 1.00 4.74 H ATOM 1687 HB ILE A 107 -1.105 2.117 13.992 1.00 5.73 H ATOM 1688 HG12 ILE A 107 -3.088 3.982 12.675 1.00 13.03 H ATOM 1689 HG13 ILE A 107 -2.249 2.700 11.819 1.00 11.94 H ATOM 1690 HG21 ILE A 107 -2.678 3.154 15.542 1.00 8.44 H ATOM 1691 HG22 ILE A 107 -2.375 4.741 14.840 1.00 8.65 H ATOM 1692 HG23 ILE A 107 -1.101 3.911 15.733 1.00 8.60 H ATOM 1693 HD11 ILE A 107 -3.959 2.205 14.251 1.00 15.67 H ATOM 1694 HD12 ILE A 107 -3.324 1.017 13.118 1.00 13.84 H ATOM 1695 HD13 ILE A 107 -4.576 2.143 12.604 1.00 13.44 H ATOM 1696 N VAL A 108 1.110 5.276 14.563 1.00 5.49 N ATOM 1697 CA VAL A 108 2.191 5.532 15.506 1.00 6.59 C ATOM 1698 C VAL A 108 1.707 6.362 16.689 1.00 6.18 C ATOM 1699 O VAL A 108 0.707 7.068 16.596 1.00 8.59 O ATOM 1700 CB VAL A 108 3.362 6.307 14.816 1.00 7.96 C ATOM 1701 CG1 VAL A 108 3.938 5.480 13.677 1.00 10.26 C ATOM 1702 CG2 VAL A 108 2.867 7.649 14.275 1.00 11.90 C ATOM 1703 H AVAL A 108 0.526 5.996 14.283 0.84 5.53 H ATOM 1704 D BVAL A 108 0.526 5.996 14.283 0.16 5.53 D ATOM 1705 HA VAL A 108 2.570 4.592 15.871 1.00 6.63 H ATOM 1706 HB VAL A 108 4.138 6.492 15.542 1.00 9.29 H ATOM 1707 HG11 VAL A 108 4.707 6.046 13.171 1.00 9.66 H ATOM 1708 HG12 VAL A 108 3.153 5.239 12.975 1.00 10.27 H ATOM 1709 HG13 VAL A 108 4.364 4.570 14.071 1.00 10.67 H ATOM 1710 HG21 VAL A 108 3.601 8.058 13.592 1.00 10.51 H ATOM 1711 HG22 VAL A 108 2.717 8.334 15.096 1.00 12.77 H ATOM 1712 HG23 VAL A 108 1.931 7.507 13.755 1.00 11.72 H ATOM 1713 N ALA A 109 2.416 6.254 17.808 1.00 5.38 N ATOM 1714 CA ALA A 109 2.114 7.043 18.991 1.00 6.79 C ATOM 1715 C ALA A 109 3.091 8.217 18.961 1.00 6.94 C ATOM 1716 O ALA A 109 4.251 8.044 18.587 1.00 7.83 O ATOM 1717 CB ALA A 109 2.304 6.219 20.255 1.00 7.66 C ATOM 1718 H AALA A 109 3.199 5.675 17.826 0.99 3.96 H ATOM 1719 D BALA A 109 3.199 5.675 17.826 0.01 3.96 D ATOM 1720 HA ALA A 109 1.100 7.413 18.936 1.00 7.39 H ATOM 1721 HB1 ALA A 109 2.062 6.820 21.119 1.00 10.19 H ATOM 1722 HB2 ALA A 109 3.331 5.895 20.321 1.00 8.73 H ATOM 1723 HB3 ALA A 109 1.654 5.358 20.226 1.00 9.33 H ATOM 1724 N CYS A 110 2.616 9.406 19.322 1.00 6.36 N ATOM 1725 CA CYS A 110 3.444 10.605 19.303 1.00 8.01 C ATOM 1726 C CYS A 110 3.539 11.257 20.679 1.00 7.73 C ATOM 1727 O CYS A 110 2.581 11.238 21.451 1.00 8.50 O ATOM 1728 CB CYS A 110 2.857 11.604 18.311 1.00 8.49 C ATOM 1729 SG CYS A 110 2.634 10.921 16.636 1.00 8.75 S ATOM 1730 H ACYS A 110 1.688 9.476 19.622 0.77 6.68 H ATOM 1731 D BCYS A 110 1.688 9.476 19.622 0.23 6.68 D ATOM 1732 HA CYS A 110 4.434 10.336 18.974 1.00 8.31 H ATOM 1733 HB2 CYS A 110 1.888 11.929 18.663 1.00 10.33 H ATOM 1734 HB3 CYS A 110 3.511 12.461 18.231 1.00 8.70 H ATOM 1735 N GLU A 111 4.693 11.864 20.952 1.00 8.86 N ATOM 1736 CA GLU A 111 4.964 12.540 22.224 1.00 10.69 C ATOM 1737 C GLU A 111 5.976 13.667 22.026 1.00 13.34 C ATOM 1738 O GLU A 111 6.695 13.712 21.024 1.00 12.70 O ATOM 1739 CB GLU A 111 5.598 11.579 23.245 1.00 11.21 C ATOM 1740 CG GLU A 111 4.752 10.386 23.666 1.00 14.47 C ATOM 1741 CD GLU A 111 5.488 9.494 24.661 1.00 13.98 C ATOM 1742 OE1 GLU A 111 6.491 9.945 25.253 1.00 15.30 O ATOM 1743 OE2 GLU A 111 5.066 8.337 24.854 1.00 16.21 O ATOM 1744 H AGLU A 111 5.392 11.863 20.270 0.67 8.79 H ATOM 1745 D BGLU A 111 5.392 11.863 20.270 0.33 8.79 D ATOM 1746 HA GLU A 111 4.045 12.941 22.630 1.00 10.69 H ATOM 1747 HB2 GLU A 111 6.517 11.198 22.824 1.00 12.53 H ATOM 1748 HB3 GLU A 111 5.847 12.146 24.134 1.00 13.55 H ATOM 1749 HG2 GLU A 111 3.842 10.746 24.121 1.00 13.54 H ATOM 1750 HG3 GLU A 111 4.505 9.805 22.793 1.00 14.76 H ATOM 1751 N GLY A 112 6.015 14.575 22.996 1.00 13.72 N ATOM 1752 CA GLY A 112 6.996 15.646 22.989 1.00 14.60 C ATOM 1753 C GLY A 112 6.707 16.919 22.224 1.00 14.41 C ATOM 1754 O GLY A 112 5.632 17.130 21.663 1.00 16.54 O ATOM 1755 H AGLY A 112 5.320 14.550 23.684 0.28 14.27 H ATOM 1756 D BGLY A 112 5.320 14.550 23.684 0.72 14.27 D ATOM 1757 HA2 GLY A 112 7.174 15.925 24.013 1.00 14.09 H ATOM 1758 HA3 GLY A 112 7.916 15.233 22.597 1.00 15.76 H ATOM 1759 N ASN A 113 7.719 17.783 22.247 1.00 17.54 N ATOM 1760 CA ASN A 113 7.707 19.076 21.582 1.00 20.19 C ATOM 1761 C ASN A 113 9.129 19.312 21.063 1.00 19.50 C ATOM 1762 O ASN A 113 10.032 19.616 21.842 1.00 20.27 O ATOM 1763 CB ASN A 113 7.304 20.171 22.576 1.00 23.37 C ATOM 1764 CG ASN A 113 7.256 21.547 21.942 1.00 26.25 C ATOM 1765 OD1 ASN A 113 6.626 21.744 20.901 1.00 28.50 O ATOM 1766 ND2 ASN A 113 7.911 22.514 22.578 1.00 27.88 N ATOM 1767 H AASN A 113 8.527 17.544 22.741 0.01 17.44 H ATOM 1768 D BASN A 113 8.527 17.544 22.741 0.99 17.44 D ATOM 1769 HA ASN A 113 7.015 19.052 20.753 1.00 20.77 H ATOM 1770 HB2 ASN A 113 6.326 19.937 22.970 1.00 23.09 H ATOM 1771 HB3 ASN A 113 8.015 20.184 23.388 1.00 23.32 H ATOM 1772 N PRO A 114 9.355 19.145 19.743 1.00 18.22 N ATOM 1773 CA PRO A 114 8.420 18.759 18.677 1.00 15.71 C ATOM 1774 C PRO A 114 7.681 17.439 18.909 1.00 13.85 C ATOM 1775 O PRO A 114 8.224 16.488 19.471 1.00 10.80 O ATOM 1776 CB PRO A 114 9.313 18.659 17.439 1.00 17.39 C ATOM 1777 CG PRO A 114 10.490 19.475 17.735 1.00 18.54 C ATOM 1778 CD PRO A 114 10.706 19.383 19.207 1.00 19.30 C ATOM 1779 HA PRO A 114 7.700 19.551 18.528 1.00 18.33 H ATOM 1780 HB2 PRO A 114 9.599 17.629 17.270 1.00 15.62 H ATOM 1781 HB3 PRO A 114 8.801 19.052 16.576 1.00 17.03 H ATOM 1782 HG2 PRO A 114 11.349 19.089 17.204 1.00 18.03 H ATOM 1783 HG3 PRO A 114 10.310 20.501 17.458 1.00 18.97 H ATOM 1784 HD2 PRO A 114 11.352 18.554 19.446 1.00 20.02 H ATOM 1785 HD3 PRO A 114 11.112 20.312 19.582 1.00 20.81 H ATOM 1786 N TYR A 115 6.435 17.414 18.450 1.00 12.23 N ATOM 1787 CA TYR A 115 5.543 16.262 18.560 1.00 12.17 C ATOM 1788 C TYR A 115 5.959 15.263 17.479 1.00 11.68 C ATOM 1789 O TYR A 115 5.685 15.469 16.295 1.00 12.02 O ATOM 1790 CB TYR A 115 4.103 16.742 18.344 1.00 13.01 C ATOM 1791 CG TYR A 115 3.038 15.850 18.939 1.00 12.74 C ATOM 1792 CD1 TYR A 115 3.111 15.429 20.259 1.00 11.77 C ATOM 1793 CD2 TYR A 115 1.941 15.464 18.186 1.00 12.96 C ATOM 1794 CE1 TYR A 115 2.120 14.648 20.812 1.00 14.21 C ATOM 1795 CE2 TYR A 115 0.945 14.672 18.730 1.00 13.94 C ATOM 1796 CZ TYR A 115 1.039 14.270 20.046 1.00 13.67 C ATOM 1797 OH TYR A 115 0.054 13.494 20.604 1.00 15.26 O ATOM 1798 H ATYR A 115 6.135 18.202 17.953 0.01 12.77 H ATOM 1799 D BTYR A 115 6.135 18.202 17.953 0.99 12.77 D ATOM 1800 HA TYR A 115 5.642 15.812 19.538 1.00 13.21 H ATOM 1801 HB2 TYR A 115 4.002 17.724 18.780 1.00 13.30 H ATOM 1802 HB3 TYR A 115 3.927 16.822 17.282 1.00 12.94 H ATOM 1803 HD1 TYR A 115 3.959 15.719 20.863 1.00 13.71 H ATOM 1804 HD2 TYR A 115 1.868 15.780 17.155 1.00 14.47 H ATOM 1805 HE1 TYR A 115 2.194 14.328 21.841 1.00 14.28 H ATOM 1806 HE2 TYR A 115 0.097 14.377 18.126 1.00 15.12 H ATOM 1807 DH TYR A 115 -0.745 13.576 20.078 1.00 21.05 D ATOM 1808 N VAL A 116 6.618 14.182 17.894 1.00 8.82 N ATOM 1809 CA VAL A 116 7.134 13.184 16.959 1.00 6.94 C ATOM 1810 C VAL A 116 6.825 11.737 17.364 1.00 7.52 C ATOM 1811 O VAL A 116 6.467 11.467 18.514 1.00 5.97 O ATOM 1812 CB VAL A 116 8.677 13.333 16.858 1.00 10.52 C ATOM 1813 CG1 VAL A 116 9.034 14.684 16.258 1.00 13.78 C ATOM 1814 CG2 VAL A 116 9.307 13.211 18.246 1.00 10.69 C ATOM 1815 H AVAL A 116 6.756 14.040 18.853 0.99 7.93 H ATOM 1816 D BVAL A 116 6.756 14.040 18.853 0.01 7.93 D ATOM 1817 HA VAL A 116 6.709 13.369 15.985 1.00 9.20 H ATOM 1818 HB VAL A 116 9.068 12.551 16.225 1.00 11.17 H ATOM 1819 HG11 VAL A 116 8.446 15.458 16.729 1.00 14.17 H ATOM 1820 HG12 VAL A 116 8.834 14.674 15.198 1.00 15.19 H ATOM 1821 HG13 VAL A 116 10.081 14.884 16.420 1.00 13.80 H ATOM 1822 HG21 VAL A 116 8.862 13.938 18.911 1.00 11.79 H ATOM 1823 HG22 VAL A 116 10.370 13.398 18.173 1.00 8.93 H ATOM 1824 HG23 VAL A 116 9.138 12.214 18.632 1.00 10.83 H ATOM 1825 N PRO A 117 6.967 10.784 16.417 1.00 6.26 N ATOM 1826 CA PRO A 117 6.704 9.364 16.687 1.00 7.33 C ATOM 1827 C PRO A 117 7.694 8.728 17.663 1.00 7.00 C ATOM 1828 O PRO A 117 8.904 8.921 17.543 1.00 8.36 O ATOM 1829 CB PRO A 117 6.810 8.710 15.306 1.00 8.40 C ATOM 1830 CG PRO A 117 6.641 9.816 14.336 1.00 8.84 C ATOM 1831 CD PRO A 117 7.241 11.012 14.986 1.00 7.37 C ATOM 1832 HA PRO A 117 5.701 9.252 17.065 1.00 7.60 H ATOM 1833 HB2 PRO A 117 7.784 8.250 15.183 1.00 8.33 H ATOM 1834 HB3 PRO A 117 6.029 7.979 15.175 1.00 10.87 H ATOM 1835 HG2 PRO A 117 7.151 9.592 13.409 1.00 7.13 H ATOM 1836 HG3 PRO A 117 5.595 9.992 14.155 1.00 10.91 H ATOM 1837 HD2 PRO A 117 8.305 11.055 14.808 1.00 9.78 H ATOM 1838 HD3 PRO A 117 6.752 11.912 14.638 1.00 8.92 H ATOM 1839 N VAL A 118 7.168 7.971 18.625 1.00 5.35 N ATOM 1840 CA VAL A 118 7.993 7.289 19.620 1.00 6.08 C ATOM 1841 C VAL A 118 7.608 5.818 19.783 1.00 7.07 C ATOM 1842 O VAL A 118 8.169 5.118 20.620 1.00 9.07 O ATOM 1843 CB VAL A 118 7.893 7.963 21.016 1.00 7.10 C ATOM 1844 CG1 VAL A 118 8.410 9.396 20.946 1.00 8.44 C ATOM 1845 CG2 VAL A 118 6.442 7.956 21.512 1.00 7.35 C ATOM 1846 H AVAL A 118 6.207 7.901 18.688 0.83 5.72 H ATOM 1847 D BVAL A 118 6.207 7.901 18.688 0.17 5.72 D ATOM 1848 HA VAL A 118 9.019 7.339 19.299 1.00 3.97 H ATOM 1849 HB VAL A 118 8.500 7.408 21.716 1.00 7.53 H ATOM 1850 HG11 VAL A 118 8.476 9.801 21.945 1.00 10.26 H ATOM 1851 HG12 VAL A 118 7.730 9.996 20.360 1.00 9.10 H ATOM 1852 HG13 VAL A 118 9.389 9.409 20.488 1.00 10.11 H ATOM 1853 HG21 VAL A 118 6.421 8.150 22.575 1.00 9.35 H ATOM 1854 HG22 VAL A 118 5.997 6.992 21.317 1.00 8.92 H ATOM 1855 HG23 VAL A 118 5.880 8.720 20.998 1.00 8.31 H ATOM 1856 N HIS A 119 6.651 5.350 18.986 1.00 6.52 N ATOM 1857 CA HIS A 119 6.210 3.965 19.059 1.00 9.37 C ATOM 1858 C HIS A 119 5.430 3.581 17.805 1.00 7.96 C ATOM 1859 O HIS A 119 4.619 4.356 17.304 1.00 8.84 O ATOM 1860 CB HIS A 119 5.338 3.777 20.316 1.00 12.84 C ATOM 1861 CG HIS A 119 4.409 2.602 20.253 1.00 18.81 C ATOM 1862 ND1 HIS A 119 4.837 1.294 20.337 1.00 22.58 N ATOM 1863 CD2 HIS A 119 3.058 2.542 20.149 1.00 21.54 C ATOM 1864 CE1 HIS A 119 3.798 0.480 20.290 1.00 22.07 C ATOM 1865 NE2 HIS A 119 2.706 1.215 20.174 1.00 22.47 N ATOM 1866 H AHIS A 119 6.220 5.951 18.343 0.88 7.54 H ATOM 1867 D BHIS A 119 6.220 5.951 18.343 0.12 7.54 D ATOM 1868 HA HIS A 119 7.079 3.327 19.134 1.00 10.18 H ATOM 1869 HB2 HIS A 119 5.987 3.655 21.167 1.00 15.79 H ATOM 1870 HB3 HIS A 119 4.750 4.672 20.458 1.00 14.96 H ATOM 1871 DD1 HIS A 119 5.774 1.010 20.421 1.00 23.72 D ATOM 1872 HD2 HIS A 119 2.383 3.379 20.063 1.00 20.56 H ATOM 1873 HE1 HIS A 119 3.832 -0.599 20.336 1.00 24.07 H ATOM 1874 DE2 HIS A 119 1.792 0.872 20.112 1.00 22.71 D ATOM 1875 N PHE A 120 5.719 2.393 17.286 1.00 7.38 N ATOM 1876 CA PHE A 120 5.020 1.878 16.120 1.00 6.72 C ATOM 1877 C PHE A 120 3.928 0.971 16.670 1.00 7.33 C ATOM 1878 O PHE A 120 4.217 -0.070 17.265 1.00 8.43 O ATOM 1879 CB PHE A 120 5.965 1.091 15.212 1.00 7.32 C ATOM 1880 CG PHE A 120 5.358 0.747 13.888 1.00 8.89 C ATOM 1881 CD1 PHE A 120 4.595 -0.400 13.737 1.00 10.18 C ATOM 1882 CD2 PHE A 120 5.526 1.584 12.799 1.00 8.99 C ATOM 1883 CE1 PHE A 120 4.013 -0.701 12.523 1.00 10.76 C ATOM 1884 CE2 PHE A 120 4.946 1.282 11.581 1.00 9.27 C ATOM 1885 CZ PHE A 120 4.190 0.141 11.445 1.00 10.54 C ATOM 1886 H APHE A 120 6.425 1.855 17.701 0.11 7.41 H ATOM 1887 D BPHE A 120 6.425 1.855 17.701 0.89 7.41 D ATOM 1888 HA PHE A 120 4.573 2.698 15.570 1.00 6.75 H ATOM 1889 HB2 PHE A 120 6.856 1.678 15.041 1.00 9.29 H ATOM 1890 HB3 PHE A 120 6.246 0.176 15.716 1.00 9.33 H ATOM 1891 HD1 PHE A 120 4.452 -1.064 14.578 1.00 9.18 H ATOM 1892 HD2 PHE A 120 6.116 2.481 12.899 1.00 10.80 H ATOM 1893 HE1 PHE A 120 3.420 -1.597 12.414 1.00 13.24 H ATOM 1894 HE2 PHE A 120 5.088 1.941 10.736 1.00 8.83 H ATOM 1895 HZ PHE A 120 3.732 -0.094 10.497 1.00 11.75 H ATOM 1896 N ASP A 121 2.675 1.357 16.460 1.00 6.77 N ATOM 1897 CA ASP A 121 1.553 0.596 16.992 1.00 9.24 C ATOM 1898 C ASP A 121 1.031 -0.508 16.076 1.00 8.23 C ATOM 1899 O ASP A 121 0.796 -1.621 16.547 1.00 9.05 O ATOM 1900 CB ASP A 121 0.413 1.552 17.341 1.00 9.74 C ATOM 1901 CG ASP A 121 -0.614 0.918 18.254 1.00 11.14 C ATOM 1902 OD1 ASP A 121 -0.258 0.586 19.402 1.00 15.38 O ATOM 1903 OD2 ASP A 121 -1.774 0.758 17.828 1.00 11.86 O ATOM 1904 H AASP A 121 2.510 2.167 15.944 0.12 7.65 H ATOM 1905 D BASP A 121 2.510 2.167 15.944 0.88 7.65 D ATOM 1906 HA ASP A 121 1.879 0.130 17.907 1.00 9.52 H ATOM 1907 HB2 ASP A 121 0.826 2.421 17.834 1.00 11.85 H ATOM 1908 HB3 ASP A 121 -0.076 1.863 16.429 1.00 10.98 H ATOM 1909 N ALA A 122 0.845 -0.209 14.789 1.00 7.22 N ATOM 1910 CA ALA A 122 0.321 -1.197 13.843 1.00 9.72 C ATOM 1911 C ALA A 122 0.275 -0.692 12.404 1.00 10.51 C ATOM 1912 O ALA A 122 0.490 0.487 12.133 1.00 11.04 O ATOM 1913 CB ALA A 122 -1.087 -1.591 14.254 1.00 12.11 C ATOM 1914 H AALA A 122 1.078 0.685 14.469 0.01 8.24 H ATOM 1915 D BALA A 122 1.078 0.685 14.469 0.99 8.24 D ATOM 1916 HA ALA A 122 0.942 -2.078 13.877 1.00 10.53 H ATOM 1917 HB1 ALA A 122 -1.240 -2.638 14.053 1.00 14.86 H ATOM 1918 HB2 ALA A 122 -1.804 -1.007 13.693 1.00 15.08 H ATOM 1919 HB3 ALA A 122 -1.222 -1.405 15.307 1.00 15.00 H ATOM 1920 N SER A 123 -0.007 -1.621 11.494 1.00 11.06 N ATOM 1921 CA SER A 123 -0.153 -1.337 10.074 1.00 12.84 C ATOM 1922 C SER A 123 -1.529 -1.873 9.698 1.00 13.39 C ATOM 1923 O SER A 123 -1.882 -2.997 10.063 1.00 14.59 O ATOM 1924 CB SER A 123 0.939 -2.035 9.261 1.00 14.74 C ATOM 1925 OG SER A 123 0.936 -3.430 9.506 1.00 17.42 O ATOM 1926 H ASER A 123 -0.122 -2.550 11.776 0.09 11.37 H ATOM 1927 D BSER A 123 -0.122 -2.550 11.776 0.91 11.37 D ATOM 1928 HA SER A 123 -0.121 -0.270 9.906 1.00 14.21 H ATOM 1929 HB2 SER A 123 0.766 -1.860 8.210 1.00 14.90 H ATOM 1930 HB3 SER A 123 1.897 -1.623 9.533 1.00 17.16 H ATOM 1931 DG SER A 123 1.808 -3.788 9.331 1.00 19.99 D ATOM 1932 N VAL A 124 -2.309 -1.067 8.986 1.00 14.28 N ATOM 1933 CA VAL A 124 -3.667 -1.462 8.603 1.00 15.29 C ATOM 1934 C VAL A 124 -3.970 -1.171 7.136 1.00 15.12 C ATOM 1935 O VAL A 124 -5.021 -1.639 6.654 1.00 16.38 O ATOM 1936 CB VAL A 124 -4.720 -0.723 9.467 1.00 15.33 C ATOM 1937 CG1 VAL A 124 -4.561 -1.104 10.933 1.00 15.15 C ATOM 1938 CG2 VAL A 124 -4.567 0.778 9.317 1.00 16.73 C ATOM 1939 OXT VAL A 124 -3.162 -0.484 6.483 1.00 15.96 O ATOM 1940 H AVAL A 124 -1.934 -0.234 8.649 0.01 14.46 H ATOM 1941 D BVAL A 124 -1.934 -0.234 8.649 0.99 14.46 D ATOM 1942 HA VAL A 124 -3.775 -2.521 8.769 1.00 16.05 H ATOM 1943 HB VAL A 124 -5.707 -1.008 9.132 1.00 15.92 H ATOM 1944 HG11 VAL A 124 -4.568 -2.179 11.029 1.00 16.81 H ATOM 1945 HG12 VAL A 124 -5.376 -0.685 11.504 1.00 16.90 H ATOM 1946 HG13 VAL A 124 -3.624 -0.714 11.305 1.00 15.43 H ATOM 1947 HG21 VAL A 124 -5.358 1.278 9.856 1.00 16.61 H ATOM 1948 HG22 VAL A 124 -4.619 1.042 8.273 1.00 16.18 H ATOM 1949 HG23 VAL A 124 -3.611 1.082 9.716 1.00 16.07 H TER 1950 VAL A 124 HETATM 1951 O DOD A1001 7.172 -10.810 8.101 1.00 12.34 O HETATM 1952 D1 DOD A1001 7.716 -11.586 8.043 1.00 10.98 D HETATM 1953 D2 DOD A1001 6.387 -11.070 8.579 1.00 14.74 D HETATM 1954 O DOD A1002 20.993 4.233 25.697 1.00 18.14 O HETATM 1955 D1 DOD A1002 20.478 3.983 24.927 1.00 19.66 D HETATM 1956 D2 DOD A1002 21.744 4.676 25.314 1.00 15.55 D HETATM 1957 O DOD A1003 10.526 2.564 18.804 1.00 16.54 O HETATM 1958 D1 DOD A1003 9.676 2.998 18.816 1.00 17.05 D HETATM 1959 D2 DOD A1003 11.056 3.065 19.423 1.00 17.62 D HETATM 1960 O DOD A1004 11.956 -14.222 4.042 1.00 14.32 O HETATM 1961 D1 DOD A1004 12.742 -14.163 4.584 1.00 8.65 D HETATM 1962 D2 DOD A1004 11.483 -14.991 4.366 1.00 15.54 D HETATM 1963 O DOD A1005 10.889 9.814 15.870 1.00 16.61 O HETATM 1964 D1 DOD A1005 11.730 9.403 16.054 1.00 15.30 D HETATM 1965 D2 DOD A1005 10.250 9.119 16.021 1.00 16.46 D HETATM 1966 O DOD A1006 8.694 9.549 1.673 1.00 14.07 O HETATM 1967 D1 DOD A1006 8.265 8.726 1.462 1.00 11.82 D HETATM 1968 D2 DOD A1006 8.070 9.967 2.264 1.00 12.19 D HETATM 1969 O DOD A1007 19.469 10.381 21.360 1.00 19.32 O HETATM 1970 D1 DOD A1007 19.912 10.284 22.200 1.00 21.82 D HETATM 1971 D2 DOD A1007 19.835 9.669 20.848 1.00 19.16 D HETATM 1972 O DOD A1008 15.234 -12.399 7.066 1.00 11.43 O HETATM 1973 D1 DOD A1008 15.221 -12.393 6.120 1.00 11.13 D HETATM 1974 D2 DOD A1008 14.501 -12.963 7.290 1.00 12.93 D HETATM 1975 O DOD A1009 18.956 -11.219 12.857 1.00 21.31 O HETATM 1976 D1 DOD A1009 19.295 -11.120 11.967 1.00 19.85 D HETATM 1977 D2 DOD A1009 19.354 -12.030 13.175 1.00 22.19 D HETATM 1978 O DOD A1010 2.795 11.391 5.205 1.00 21.78 O HETATM 1979 D1 DOD A1010 3.399 11.308 5.940 1.00 22.22 D HETATM 1980 D2 DOD A1010 2.878 12.307 4.948 1.00 22.33 D HETATM 1981 O DOD A1011 15.328 -14.733 22.257 1.00 20.44 O HETATM 1982 D1 DOD A1011 14.519 -14.577 22.741 1.00 20.92 D HETATM 1983 D2 DOD A1011 15.968 -14.889 22.945 1.00 23.15 D HETATM 1984 O DOD A1012 20.053 5.888 17.837 1.00 14.40 O HETATM 1985 D1 DOD A1012 19.687 5.960 18.711 1.00 12.11 D HETATM 1986 D2 DOD A1012 19.540 6.516 17.336 1.00 16.14 D HETATM 1987 O DOD A1013 18.626 7.313 15.614 1.00 18.79 O HETATM 1988 D1 DOD A1013 18.108 6.820 16.249 1.00 18.44 D HETATM 1989 D2 DOD A1013 19.154 6.643 15.181 1.00 21.12 D HETATM 1990 O DOD A1014 0.110 9.884 5.084 1.00 23.04 O HETATM 1991 D1 DOD A1014 0.923 10.223 4.712 1.00 23.90 D HETATM 1992 D2 DOD A1014 -0.056 10.460 5.824 1.00 21.97 D HETATM 1993 O DOD A1015 14.961 10.764 5.884 1.00 22.99 O HETATM 1994 D1 DOD A1015 15.870 10.870 6.172 1.00 23.29 D HETATM 1995 D2 DOD A1015 14.906 11.206 5.036 1.00 21.49 D HETATM 1996 O DOD A1016 -7.490 14.054 13.581 1.00 28.95 O HETATM 1997 D1 DOD A1016 -8.256 13.539 13.841 1.00 27.38 D HETATM 1998 D2 DOD A1016 -7.423 14.758 14.228 1.00 29.42 D HETATM 1999 O DOD A1017 6.846 -9.986 0.254 1.00 25.97 O HETATM 2000 D1 DOD A1017 7.663 -10.371 0.574 1.00 25.50 D HETATM 2001 D2 DOD A1017 6.187 -10.248 0.896 1.00 23.75 D HETATM 2002 O DOD A1018 20.772 -11.908 15.328 1.00 27.76 O HETATM 2003 D1 DOD A1018 20.465 -11.512 14.511 1.00 26.69 D HETATM 2004 D2 DOD A1018 21.714 -11.738 15.343 1.00 28.25 D HETATM 2005 O DOD A1019 16.904 5.683 7.690 1.00 18.09 O HETATM 2006 D1 DOD A1019 16.612 5.102 8.393 1.00 19.14 D HETATM 2007 D2 DOD A1019 16.484 6.522 7.903 1.00 18.52 D HETATM 2008 O DOD A1020 22.494 -11.527 18.702 1.00 26.48 O HETATM 2009 D1 DOD A1020 21.723 -11.610 19.267 1.00 24.17 D HETATM 2010 D2 DOD A1020 22.404 -12.230 18.057 1.00 26.42 D HETATM 2011 O DOD A1021 10.825 4.833 21.142 1.00 20.74 O HETATM 2012 D1 DOD A1021 10.129 5.481 21.217 1.00 18.93 D HETATM 2013 D2 DOD A1021 11.439 5.243 20.535 1.00 17.78 D HETATM 2014 O DOD A1022 8.422 -15.667 19.012 1.00 27.68 O HETATM 2015 D1 DOD A1022 9.177 -15.681 18.424 1.00 25.01 D HETATM 2016 D2 DOD A1022 7.791 -16.267 18.611 1.00 27.79 D HETATM 2017 O DOD A1023 9.392 3.567 -0.578 1.00 29.83 O HETATM 2018 D1 DOD A1023 9.881 2.859 -0.994 1.00 29.03 D HETATM 2019 D2 DOD A1023 10.061 4.120 -0.173 1.00 28.88 D HETATM 2020 O DOD A1024 10.412 15.770 21.061 1.00 34.53 O HETATM 2021 D1 DOD A1024 10.706 16.224 20.273 1.00 35.19 D HETATM 2022 D2 DOD A1024 9.548 15.436 20.822 1.00 34.87 D HETATM 2023 O DOD A1025 13.805 13.766 5.899 1.00 24.48 O HETATM 2024 D1 DOD A1025 13.487 14.312 5.181 1.00 24.82 D HETATM 2025 D2 DOD A1025 13.462 14.191 6.681 1.00 24.39 D HETATM 2026 O DOD A1026 3.180 6.700 23.612 1.00 20.62 O HETATM 2027 D1 DOD A1026 3.499 7.504 24.022 1.00 17.45 D HETATM 2028 D2 DOD A1026 3.636 5.994 24.070 1.00 21.19 D HETATM 2029 O DOD A1027 9.215 12.885 22.167 1.00 29.88 O HETATM 2030 D1 DOD A1027 9.062 12.863 21.225 1.00 29.17 D HETATM 2031 D2 DOD A1027 9.912 13.529 22.268 1.00 30.59 D HETATM 2032 O DOD A1028 22.118 -6.961 17.064 1.00 22.62 O HETATM 2033 D1 DOD A1028 21.464 -7.656 17.030 1.00 21.85 D HETATM 2034 D2 DOD A1028 21.884 -6.402 16.326 1.00 22.87 D HETATM 2035 O DOD A1029 17.911 -6.779 21.935 1.00 22.56 O HETATM 2036 D1 DOD A1029 17.558 -6.723 22.825 1.00 23.06 D HETATM 2037 D2 DOD A1029 17.259 -7.281 21.447 1.00 21.87 D HETATM 2038 O DOD A1030 16.583 -3.355 -0.127 1.00 33.81 O HETATM 2039 D1 DOD A1030 15.801 -3.207 0.404 1.00 34.41 D HETATM 2040 D2 DOD A1030 17.145 -3.889 0.432 1.00 34.08 D HETATM 2041 O DOD A1031 -2.644 6.066 -0.610 1.00 28.16 O HETATM 2042 D1 DOD A1031 -1.942 5.495 -0.932 1.00 26.10 D HETATM 2043 D2 DOD A1031 -2.487 6.917 -1.028 1.00 27.48 D HETATM 2044 O DOD A1032 16.197 13.196 13.318 1.00 27.73 O HETATM 2045 D1 DOD A1032 15.505 12.823 13.867 1.00 27.49 D HETATM 2046 D2 DOD A1032 16.972 13.191 13.879 1.00 28.26 D HETATM 2047 O DOD A1033 19.127 -19.912 14.190 1.00 55.59 O HETATM 2048 D1 DOD A1033 18.775 -19.811 13.305 1.00 55.73 D HETATM 2049 D2 DOD A1033 18.401 -19.667 14.764 1.00 55.21 D HETATM 2050 O DOD A1034 17.514 -13.971 -0.355 1.00 24.82 O HETATM 2051 D1 DOD A1034 17.188 -14.640 -0.958 1.00 22.59 D HETATM 2052 D2 DOD A1034 18.395 -14.251 -0.106 1.00 25.62 D HETATM 2053 O DOD A1035 22.579 0.711 19.358 1.00 22.85 O HETATM 2054 D1 DOD A1035 21.746 0.865 19.805 1.00 24.62 D HETATM 2055 D2 DOD A1035 22.648 1.416 18.715 1.00 21.44 D HETATM 2056 O DOD A1036 11.870 11.469 22.646 1.00 28.32 O HETATM 2057 D1 DOD A1036 12.412 11.858 23.332 1.00 27.66 D HETATM 2058 D2 DOD A1036 11.692 12.182 22.031 1.00 26.79 D HETATM 2059 O DOD A1037 7.759 2.419 22.204 1.00 33.25 O HETATM 2060 D1 DOD A1037 8.038 3.307 21.980 1.00 32.52 D HETATM 2061 D2 DOD A1037 7.573 1.993 21.367 1.00 32.03 D HETATM 2062 O DOD A1038 21.735 -0.268 9.611 1.00 33.86 O HETATM 2063 D1 DOD A1038 22.179 0.171 10.341 1.00 32.75 D HETATM 2064 D2 DOD A1038 21.744 0.369 8.895 1.00 33.60 D HETATM 2065 O DOD A1039 6.735 4.825 23.766 1.00 25.02 O HETATM 2066 D1 DOD A1039 5.777 4.837 23.767 1.00 24.83 D HETATM 2067 D2 DOD A1039 6.963 3.952 23.449 1.00 24.78 D HETATM 2068 O DOD A1040 -7.741 1.900 11.762 1.00 28.57 O HETATM 2069 D1 DOD A1040 -7.590 2.642 12.351 1.00 29.84 D HETATM 2070 D2 DOD A1040 -7.426 1.145 12.254 1.00 27.95 D HETATM 2071 O DOD A1041 8.325 0.660 19.303 1.00 42.41 O HETATM 2072 D1 DOD A1041 8.968 -0.050 19.344 1.00 42.33 D HETATM 2073 D2 DOD A1041 7.637 0.337 18.723 1.00 41.66 D HETATM 2074 O DOD A1042 25.479 -2.459 15.021 1.00 23.73 O HETATM 2075 D1 DOD A1042 25.054 -3.114 15.582 1.00 23.69 D HETATM 2076 D2 DOD A1042 24.919 -2.406 14.249 1.00 21.39 D HETATM 2077 O DOD A1043 7.480 -2.870 21.558 1.00 43.80 O HETATM 2078 D1 DOD A1043 6.703 -2.455 21.182 1.00 43.90 D HETATM 2079 D2 DOD A1043 7.993 -3.151 20.801 1.00 44.29 D HETATM 2080 O DOD A1044 7.036 -2.760 14.809 1.00 18.46 O HETATM 2081 D1 DOD A1044 6.918 -3.023 15.719 1.00 15.57 D HETATM 2082 D2 DOD A1044 6.192 -2.942 14.397 1.00 21.02 D HETATM 2083 O DOD A1045 16.066 0.779 -3.237 1.00 32.08 O HETATM 2084 D1 DOD A1045 16.333 1.654 -3.516 1.00 31.87 D HETATM 2085 D2 DOD A1045 16.834 0.436 -2.780 1.00 32.50 D HETATM 2086 O DOD A1046 7.384 16.397 8.986 1.00 25.94 O HETATM 2087 D1 DOD A1046 7.446 16.206 8.048 1.00 25.60 D HETATM 2088 D2 DOD A1046 6.671 17.035 9.060 1.00 25.78 D HETATM 2089 O DOD A1047 10.464 -9.543 1.036 1.00 30.35 O HETATM 2090 D1 DOD A1047 11.293 -9.735 0.590 1.00 30.11 D HETATM 2091 D2 DOD A1047 9.949 -9.101 0.370 1.00 31.53 D HETATM 2092 O DOD A1048 0.720 -5.071 12.228 1.00 30.21 O HETATM 2093 D1 DOD A1048 -0.062 -4.763 12.693 1.00 28.83 D HETATM 2094 D2 DOD A1048 1.467 -4.683 12.694 1.00 29.70 D HETATM 2095 O DOD A1049 21.064 8.205 19.776 1.00 26.94 O HETATM 2096 D1 DOD A1049 21.485 9.003 19.451 1.00 26.91 D HETATM 2097 D2 DOD A1049 20.705 7.787 18.994 1.00 27.04 D HETATM 2098 O DOD A1050 4.966 8.720 1.840 1.00 25.19 O HETATM 2099 D1 DOD A1050 4.409 9.218 2.439 1.00 25.33 D HETATM 2100 D2 DOD A1050 5.758 8.530 2.347 1.00 24.33 D HETATM 2101 O DOD A1051 12.583 12.081 14.970 1.00 36.67 O HETATM 2102 D1 DOD A1051 11.671 11.862 14.765 1.00 36.14 D HETATM 2103 D2 DOD A1051 13.082 11.308 14.702 1.00 36.25 D HETATM 2104 O DOD A1052 11.749 -12.208 0.452 1.00 43.11 O HETATM 2105 D1 DOD A1052 11.003 -11.862 0.948 1.00 42.77 D HETATM 2106 D2 DOD A1052 11.613 -11.894 -0.441 1.00 42.62 D HETATM 2107 O DOD A1053 18.773 -1.864 21.218 1.00 49.52 O HETATM 2108 D1 DOD A1053 18.462 -2.620 21.709 1.00 49.39 D HETATM 2109 D2 DOD A1053 18.989 -1.249 21.911 1.00 49.55 D HETATM 2110 O DOD A1054 15.023 -16.468 7.403 1.00 33.46 O HETATM 2111 D1 DOD A1054 14.722 -15.794 8.015 1.00 31.67 D HETATM 2112 D2 DOD A1054 15.160 -17.249 7.947 1.00 32.10 D HETATM 2113 O DOD A1055 19.283 -19.504 22.768 1.00 34.41 O HETATM 2114 D1 DOD A1055 19.638 -20.258 22.298 1.00 35.36 D HETATM 2115 D2 DOD A1055 19.977 -19.257 23.377 1.00 34.49 D HETATM 2116 O DOD A1056 8.010 7.089 25.440 1.00 32.96 O HETATM 2117 D1 DOD A1056 7.183 6.625 25.602 1.00 32.49 D HETATM 2118 D2 DOD A1056 8.668 6.401 25.325 1.00 32.31 D HETATM 2119 O DOD A1057 16.719 5.211 10.759 1.00 34.85 O HETATM 2120 D1 DOD A1057 17.145 4.656 11.414 1.00 34.67 D HETATM 2121 D2 DOD A1057 17.202 6.036 10.818 1.00 34.07 D HETATM 2122 O DOD A1058 9.707 -11.915 -1.641 1.00 50.46 O HETATM 2123 D1 DOD A1058 9.701 -11.157 -1.056 1.00 50.38 D HETATM 2124 D2 DOD A1058 10.611 -12.231 -1.605 1.00 50.37 D HETATM 2125 O DOD A1059 -0.191 -0.085 22.179 1.00 28.59 O HETATM 2126 D1 DOD A1059 -0.401 0.665 22.738 1.00 30.72 D HETATM 2127 D2 DOD A1059 -0.696 0.071 21.381 1.00 25.94 D HETATM 2128 O DOD A1060 5.155 20.021 17.101 1.00 34.52 O HETATM 2129 D1 DOD A1060 5.521 20.369 17.914 1.00 34.25 D HETATM 2130 D2 DOD A1060 5.880 20.062 16.476 1.00 33.98 D HETATM 2131 O DOD A1061 -7.861 0.647 14.557 1.00 34.02 O HETATM 2132 D1 DOD A1061 -7.341 1.398 14.845 1.00 34.52 D HETATM 2133 D2 DOD A1061 -7.454 0.382 13.732 1.00 32.31 D HETATM 2134 O DOD A1062 22.356 10.865 26.304 1.00 38.94 O HETATM 2135 D1 DOD A1062 21.727 11.372 25.793 1.00 38.95 D HETATM 2136 D2 DOD A1062 22.450 10.049 25.814 1.00 39.41 D HETATM 2137 O DOD A1063 16.248 4.910 26.324 1.00 34.29 O HETATM 2138 D1 DOD A1063 16.905 5.596 26.200 1.00 34.10 D HETATM 2139 D2 DOD A1063 16.448 4.259 25.650 1.00 33.94 D HETATM 2140 O DOD A1064 15.731 -17.601 21.488 1.00 29.54 O HETATM 2141 D1 DOD A1064 16.213 -16.799 21.307 1.00 31.13 D HETATM 2142 D2 DOD A1064 15.488 -17.922 20.622 1.00 29.66 D HETATM 2143 O DOD A1065 12.601 9.839 26.015 1.00 31.67 O HETATM 2144 D1 DOD A1065 12.579 10.603 25.436 1.00 31.06 D HETATM 2145 D2 DOD A1065 13.532 9.689 26.194 1.00 31.13 D HETATM 2146 O DOD A1066 9.238 25.646 22.515 1.00 31.60 O HETATM 2147 D1 DOD A1066 9.691 24.815 22.367 1.00 31.13 D HETATM 2148 D2 DOD A1066 8.591 25.463 23.199 1.00 31.91 D HETATM 2149 O DOD A1067 -5.156 -4.658 7.040 1.00 41.41 O HETATM 2150 D1 DOD A1067 -4.829 -3.763 6.958 1.00 40.97 D HETATM 2151 D2 DOD A1067 -5.656 -4.651 7.856 1.00 41.70 D HETATM 2152 O DOD A1068 3.293 -3.926 10.879 1.00 35.65 O HETATM 2153 D1 DOD A1068 2.794 -4.397 11.546 1.00 36.32 D HETATM 2154 D2 DOD A1068 3.314 -4.526 10.136 1.00 35.45 D HETATM 2155 O DOD A1069 -7.106 1.862 6.816 1.00 44.49 O HETATM 2156 D1 DOD A1069 -7.249 2.805 6.728 1.00 44.40 D HETATM 2157 D2 DOD A1069 -7.585 1.477 6.081 1.00 44.34 D HETATM 2158 O DOD A1070 13.577 -17.926 19.509 1.00 45.88 O HETATM 2159 D1 DOD A1070 13.884 -17.030 19.652 1.00 45.47 D HETATM 2160 D2 DOD A1070 14.354 -18.407 19.227 1.00 45.99 D HETATM 2161 O DOD A1071 14.973 -18.870 9.395 1.00 25.82 O HETATM 2162 D1 DOD A1071 15.226 -19.625 9.926 1.00 26.62 D HETATM 2163 D2 DOD A1071 14.269 -19.191 8.832 1.00 26.06 D HETATM 2164 O DOD A1072 20.883 3.972 9.415 1.00 46.55 O HETATM 2165 D1 DOD A1072 20.133 4.221 9.957 1.00 45.98 D HETATM 2166 D2 DOD A1072 21.149 4.793 9.005 1.00 46.31 D HETATM 2167 O DOD A1073 20.856 11.689 23.836 1.00 43.57 O HETATM 2168 D1 DOD A1073 21.019 11.992 22.943 1.00 43.87 D HETATM 2169 D2 DOD A1073 20.069 12.157 24.113 1.00 43.98 D HETATM 2170 O DOD A1074 9.693 13.707 1.535 1.00 40.92 O HETATM 2171 D1 DOD A1074 9.096 12.979 1.357 1.00 41.15 D HETATM 2172 D2 DOD A1074 9.228 14.256 2.167 1.00 40.61 D HETATM 2173 O DOD A1075 15.657 13.287 19.897 1.00 47.34 O HETATM 2174 D1 DOD A1075 15.377 13.570 20.768 1.00 47.77 D HETATM 2175 D2 DOD A1075 16.611 13.334 19.933 1.00 46.71 D HETATM 2176 O DOD A1076 6.379 -1.737 18.068 1.00 29.99 O HETATM 2177 D1 DOD A1076 5.633 -1.977 17.511 1.00 28.29 D HETATM 2178 D2 DOD A1076 7.137 -2.192 17.693 1.00 29.49 D HETATM 2179 O DOD A1077 17.718 -7.292 1.036 1.00 24.63 O HETATM 2180 D1 DOD A1077 16.948 -6.742 0.894 1.00 23.93 D HETATM 2181 D2 DOD A1077 18.162 -6.911 1.796 1.00 23.14 D HETATM 2182 O DOD A1078 5.845 -3.056 -1.689 1.00 35.79 O HETATM 2183 D1 DOD A1078 5.262 -2.616 -1.070 1.00 35.23 D HETATM 2184 D2 DOD A1078 6.273 -2.342 -2.161 1.00 36.62 D HETATM 2185 O DOD A1079 21.326 0.567 22.175 1.00 37.48 O HETATM 2186 D1 DOD A1079 21.356 1.517 22.051 1.00 37.89 D HETATM 2187 D2 DOD A1079 21.910 0.220 21.502 1.00 36.35 D HETATM 2188 O DOD A1080 20.920 -9.174 3.432 1.00 40.16 O HETATM 2189 D1 DOD A1080 21.556 -9.854 3.659 1.00 40.11 D HETATM 2190 D2 DOD A1080 21.030 -8.508 4.110 1.00 39.68 D HETATM 2191 O DOD A1081 -1.313 16.788 16.176 1.00 30.38 O HETATM 2192 D1 DOD A1081 -1.942 16.314 15.631 1.00 29.19 D HETATM 2193 D2 DOD A1081 -0.475 16.376 15.977 1.00 30.91 D HETATM 2194 O DOD A1082 19.417 5.661 11.351 1.00 49.18 O HETATM 2195 D1 DOD A1082 20.310 5.333 11.239 1.00 49.12 D HETATM 2196 D2 DOD A1082 18.893 4.887 11.559 1.00 48.72 D HETATM 2197 O DOD A1083 7.303 6.733 -1.358 1.00 36.26 O HETATM 2198 D1 DOD A1083 7.066 7.215 -2.151 1.00 37.12 D HETATM 2199 D2 DOD A1083 7.215 7.366 -0.642 1.00 33.71 D HETATM 2200 O DOD A1084 19.948 3.651 13.361 1.00 44.07 O HETATM 2201 D1 DOD A1084 20.886 3.632 13.171 1.00 44.39 D HETATM 2202 D2 DOD A1084 19.702 4.575 13.280 1.00 43.65 D HETATM 2203 O DOD A1085 15.086 8.480 8.033 1.00 59.89 O HETATM 2204 O DOD A1086 3.774 16.293 12.770 1.00 42.58 O HETATM 2205 O DOD A1087 -7.954 13.963 10.557 1.00 61.68 O HETATM 2206 O DOD A1088 15.961 -2.185 20.830 1.00 47.14 O HETATM 2207 O DOD A1089 6.358 -0.206 22.243 1.00 69.32 O HETATM 2208 O DOD A1090 16.407 -20.084 23.002 1.00 60.48 O HETATM 2209 O DOD A1091 10.094 7.009 -0.320 1.00 72.98 O HETATM 2210 O DOD A1092 16.540 8.344 10.369 1.00 58.93 O CONECT 386 1311 CONECT 631 1481 CONECT 918 1729 CONECT 1021 1123 CONECT 1123 1021 CONECT 1311 386 CONECT 1481 631 CONECT 1729 918 MASTER 234 0 0 4 7 0 0 6 1043 1 8 10 END