USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE INHIBITOR 23-JUL-99 1C2A TITLE CRYSTAL STRUCTURE OF BARLEY BBI COMPND MOL_ID: 1; COMPND 2 MOLECULE: BOWMAN-BIRK TRYPSIN INHIBITOR; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; SOURCE 3 ORGANISM_TAXID: 4513 KEYWDS ALL-BETA STRUCTURE, HYDROLASE INHIBITOR EXPDTA X-RAY DIFFRACTION AUTHOR H.K.SONG,Y.S.KIM,J.K.YANG,J.MOON,J.Y.LEE,S.W.SUH REVDAT 2 24-FEB-09 1C2A 1 VERSN REVDAT 1 29-DEC-99 1C2A 0 JRNL AUTH H.K.SONG,Y.S.KIM,J.K.YANG,J.MOON,J.Y.LEE,S.W.SUH JRNL TITL CRYSTAL STRUCTURE OF A 16 KDA DOUBLE-HEADED JRNL TITL 2 BOWMAN-BIRK TRYPSIN INHIBITOR FROM BARLEY SEEDS AT JRNL TITL 3 1.9 A RESOLUTION. JRNL REF J.MOL.BIOL. V. 293 1133 1999 JRNL REFN ISSN 0022-2836 JRNL PMID 10547291 JRNL DOI 10.1006/JMBI.1999.3239 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH H.K.SONG,S.W.SUH REMARK 1 TITL PRELIMINARY X-RAY CRYSTALLOGRAPHIC ANALYSIS OF REMARK 1 TITL 2 BOWMAN-BIRK TRYPSIN INHIBITOR FROM BARLEY SEEDS REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 54 441 1998 REMARK 1 REFN ISSN 0907-4449 REMARK 1 DOI 10.1107/S0907444997010986 REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.843 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 13294 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.191 REMARK 3 FREE R VALUE : 0.219 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 665 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 903 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 41 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 30.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : 1.09 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL 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 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1C2A COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-JUL-99. REMARK 100 THE RCSB ID CODE IS RCSB009390. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-JUN-94 REMARK 200 TEMPERATURE (KELVIN) : 283 REMARK 200 PH : 6.23 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : PHOTON FACTORY REMARK 200 BEAMLINE : BL-6A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.000 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : FUJI REMARK 200 INTENSITY-INTEGRATION SOFTWARE : WEIS REMARK 200 DATA SCALING SOFTWARE : CCP4 (AGROVATA, ROTAVATA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13611 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 88.0 REMARK 200 DATA REDUNDANCY : 9.800 REMARK 200 R MERGE (I) : 0.05800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 15.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.00 REMARK 200 COMPLETENESS FOR SHELL (%) : 74.1 REMARK 200 DATA REDUNDANCY IN SHELL : 5.30 REMARK 200 R MERGE FOR SHELL (I) : 0.19400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: SHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 64.21 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.44 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 3000, SODIUM CITRATE, PH 6.23, REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 296.0K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 47.31500 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 31.24000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 31.24000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 23.65750 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 31.24000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 31.24000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 70.97250 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 31.24000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 31.24000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 23.65750 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 31.24000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 31.24000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 70.97250 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 47.31500 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 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 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 8 CG CD CE NZ REMARK 470 LYS A 37 CD CE NZ REMARK 470 LYS A 90 CD CE NZ REMARK 470 ARG A 121 CD NE CZ NH1 NH2 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 LYS A 71 64.56 -115.12 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1PI2 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF TRACY BEAN PI-II INHIBITOR DBREF 1C2A A 4 123 UNP P12940 IBB_HORVU 4 122 SEQADV 1C2A SER A 42 UNP P12940 MISSING IN SWS SEQRES 1 A 120 LYS ARG PRO TRP LYS CYS CYS ASP GLU ALA VAL CYS THR SEQRES 2 A 120 ARG SER ILE PRO PRO ILE CYS THR CYS MET ASP GLU VAL SEQRES 3 A 120 PHE GLU CYS PRO LYS THR CYS LYS SER CYS GLY PRO SER SEQRES 4 A 120 MET GLY ASP PRO SER ARG ARG ILE CYS GLN ASP GLN TYR SEQRES 5 A 120 VAL GLY ASP PRO GLY PRO ILE CYS ARG PRO TRP GLU CYS SEQRES 6 A 120 CYS ASP LYS ALA ILE CYS THR ARG SER ASN PRO PRO THR SEQRES 7 A 120 CYS ARG CYS VAL ASP GLU VAL LYS LYS CYS ALA PRO THR SEQRES 8 A 120 CYS LYS THR CYS LEU PRO SER ARG SER ARG PRO SER ARG SEQRES 9 A 120 ARG VAL CYS ILE ASP SER TYR PHE GLY PRO VAL PRO PRO SEQRES 10 A 120 ARG CYS THR FORMUL 2 HOH *41(H2 O) SHEET 1 A 3 ALA A 13 CYS A 15 0 SHEET 2 A 3 ILE A 22 CYS A 25 -1 O THR A 24 N VAL A 14 SHEET 3 A 3 GLN A 54 VAL A 56 -1 O TYR A 55 N CYS A 23 SHEET 1 B 2 CYS A 39 SER A 42 0 SHEET 2 B 2 ASP A 45 CYS A 51 -1 N ASP A 45 O SER A 42 SHEET 1 C 3 ALA A 72 CYS A 74 0 SHEET 2 C 3 THR A 81 CYS A 84 -1 O ARG A 83 N ILE A 73 SHEET 3 C 3 TYR A 114 PHE A 115 -1 N TYR A 114 O CYS A 82 SHEET 1 D 3 GLU A 87 VAL A 88 0 SHEET 2 D 3 ARG A 108 CYS A 110 -1 N ARG A 108 O VAL A 88 SHEET 3 D 3 CYS A 98 PRO A 100 -1 O LEU A 99 N VAL A 109 SSBOND *** CYS A 9 CYS A 63 1555 1555 2.02 SSBOND *** CYS A 10 CYS A 25 1555 1555 2.03 SSBOND *** CYS A 15 CYS A 23 1555 1555 2.02 SSBOND *** CYS A 32 CYS A 39 1555 1555 2.02 SSBOND *** CYS A 36 CYS A 51 1555 1555 2.01 SSBOND *** CYS A 68 CYS A 122 1555 1555 2.02 SSBOND *** CYS A 69 CYS A 84 1555 1555 2.03 SSBOND *** CYS A 74 CYS A 82 1555 1555 2.03 SSBOND *** CYS A 91 CYS A 98 1555 1555 2.02 SSBOND *** CYS A 95 CYS A 110 1555 1555 2.03 CISPEP 1 ILE A 19 PRO A 20 0 -6.00 CISPEP 2 ASN A 78 PRO A 79 0 4.66 CRYST1 62.480 62.480 94.630 90.00 90.00 90.00 P 41 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.016005 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016005 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010567 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot 180:sc= 0.0352 USER MOD Set 1.2: A 77 SER OG : rot 78:sc= 2.08 USER MOD Set 2.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 52 GLN :FLIP amide:sc=-0.00759 F(o=-0.89,f=-0.0076) USER MOD Set 3.1: A 16 THR OG1 : rot 106:sc= 1.21 USER MOD Set 3.2: A 18 SER OG : rot 76:sc= 1.74 USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0174) USER MOD Single : A 24 THR OG1 : rot 63:sc= 1.36 USER MOD Single : A 26 MET CE :methyl -147:sc= 0 (180deg=-0.0102) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 98:sc= 0.615 USER MOD Single : A 42 SER OG : rot -56:sc= 0.333 USER MOD Single : A 43 MET CE :methyl 156:sc= -0.11 (180deg=-0.634) USER MOD Single : A 47 SER OG : rot -43:sc= 1.05 USER MOD Single : A 54 GLN : amide:sc= 0.904 X(o=0.9,f=0.62) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 0.0642 (180deg=0.0508) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 81 THR OG1 : rot -12:sc= 1.55 USER MOD Single : A 89 LYS NZ :NH3+ 140:sc= -1.16 (180deg=-3.56!) USER MOD Single : A 94 THR OG1 : rot 139:sc= 0.575 USER MOD Single : A 96 LYS NZ :NH3+ -156:sc= 0.923 (180deg=0.594) USER MOD Single : A 97 THR OG1 : rot 116:sc= 0.866 USER MOD Single : A 101 SER OG : rot 149:sc= 1.91 USER MOD Single : A 103 SER OG : rot 91:sc= 1.28 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 167:sc= 1.31 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 4 2.964 -15.936 60.350 1.00 55.42 N ATOM 2 CA LYS A 4 3.784 -16.414 59.199 1.00 53.58 C ATOM 3 C LYS A 4 5.182 -15.769 59.199 1.00 48.80 C ATOM 4 O LYS A 4 5.923 -15.872 60.183 1.00 49.87 O ATOM 5 CB LYS A 4 3.055 -16.117 57.879 1.00 59.99 C ATOM 6 CG LYS A 4 3.535 -16.946 56.685 1.00 66.82 C ATOM 7 CD LYS A 4 3.720 -16.088 55.436 1.00 71.18 C ATOM 8 CE LYS A 4 3.552 -16.913 54.157 1.00 74.81 C ATOM 9 NZ LYS A 4 4.474 -18.085 54.081 1.00 74.05 N ATOM 0 HA LYS A 4 3.903 -17.372 59.289 1.00 53.58 H new ATOM 0 HB2 LYS A 4 2.106 -16.273 58.005 1.00 59.99 H new ATOM 0 HB3 LYS A 4 3.162 -15.176 57.669 1.00 59.99 H new ATOM 0 HG2 LYS A 4 4.374 -17.378 56.908 1.00 66.82 H new ATOM 0 HG3 LYS A 4 2.894 -17.650 56.501 1.00 66.82 H new ATOM 0 HD2 LYS A 4 3.075 -15.363 55.442 1.00 71.18 H new ATOM 0 HD3 LYS A 4 4.602 -15.683 55.448 1.00 71.18 H new ATOM 0 HE2 LYS A 4 2.636 -17.227 54.101 1.00 74.81 H new ATOM 0 HE3 LYS A 4 3.704 -16.341 53.389 1.00 74.81 H new ATOM 0 HZ1 LYS A 4 4.405 -18.466 53.280 1.00 74.05 H new ATOM 0 HZ2 LYS A 4 5.312 -17.813 54.209 1.00 74.05 H new ATOM 0 HZ3 LYS A 4 4.256 -18.676 54.709 1.00 74.05 H new ATOM 10 N ARG A 5 5.525 -15.103 58.096 1.00 40.53 N ATOM 11 CA ARG A 5 6.813 -14.444 57.935 1.00 32.08 C ATOM 12 C ARG A 5 6.854 -13.117 58.696 1.00 28.44 C ATOM 13 O ARG A 5 5.858 -12.408 58.772 1.00 29.59 O ATOM 14 CB ARG A 5 7.071 -14.209 56.455 1.00 28.90 C ATOM 15 CG ARG A 5 8.514 -13.946 56.117 1.00 29.64 C ATOM 16 CD ARG A 5 8.745 -14.117 54.641 1.00 29.74 C ATOM 17 NE ARG A 5 7.869 -13.227 53.896 1.00 33.27 N ATOM 18 CZ ARG A 5 7.309 -13.527 52.732 1.00 36.41 C ATOM 19 NH1 ARG A 5 6.494 -12.654 52.156 1.00 37.18 N ATOM 20 NH2 ARG A 5 7.614 -14.667 52.117 1.00 36.33 N ATOM 0 H ARG A 5 5.007 -15.022 57.414 1.00 40.53 H new ATOM 0 HA ARG A 5 7.505 -15.016 58.302 1.00 32.08 H new ATOM 0 HB2 ARG A 5 6.768 -14.984 55.957 1.00 28.90 H new ATOM 0 HB3 ARG A 5 6.537 -13.455 56.159 1.00 28.90 H new ATOM 0 HG2 ARG A 5 8.757 -13.046 56.386 1.00 29.64 H new ATOM 0 HG3 ARG A 5 9.085 -14.554 56.612 1.00 29.64 H new ATOM 0 HD2 ARG A 5 9.671 -13.926 54.426 1.00 29.74 H new ATOM 0 HD3 ARG A 5 8.578 -15.037 54.384 1.00 29.74 H new ATOM 0 HE ARG A 5 7.703 -12.454 54.233 1.00 33.27 H new ATOM 0 HH11 ARG A 5 6.332 -11.900 52.537 1.00 37.18 H new ATOM 0 HH12 ARG A 5 6.127 -12.841 51.401 1.00 37.18 H new ATOM 0 HH21 ARG A 5 8.176 -15.211 52.474 1.00 36.33 H new ATOM 0 HH22 ARG A 5 7.249 -14.859 51.362 1.00 36.33 H new ATOM 21 N PRO A 6 7.987 -12.808 59.341 1.00 24.11 N ATOM 22 CA PRO A 6 8.044 -11.661 60.247 1.00 22.29 C ATOM 23 C PRO A 6 8.119 -10.312 59.531 1.00 23.66 C ATOM 24 O PRO A 6 8.080 -9.264 60.177 1.00 24.96 O ATOM 25 CB PRO A 6 9.301 -11.920 61.074 1.00 19.92 C ATOM 26 CG PRO A 6 9.672 -13.342 60.812 1.00 19.38 C ATOM 27 CD PRO A 6 9.198 -13.636 59.442 1.00 20.98 C ATOM 0 HA PRO A 6 7.235 -11.592 60.777 1.00 22.29 H new ATOM 0 HB2 PRO A 6 10.018 -11.320 60.815 1.00 19.92 H new ATOM 0 HB3 PRO A 6 9.134 -11.772 62.018 1.00 19.92 H new ATOM 0 HG2 PRO A 6 10.631 -13.470 60.884 1.00 19.38 H new ATOM 0 HG3 PRO A 6 9.257 -13.935 61.458 1.00 19.38 H new ATOM 0 HD2 PRO A 6 9.857 -13.395 58.772 1.00 20.98 H new ATOM 0 HD3 PRO A 6 9.002 -14.578 59.322 1.00 20.98 H new ATOM 28 N TRP A 7 8.220 -10.342 58.204 1.00 23.75 N ATOM 29 CA TRP A 7 8.284 -9.127 57.382 1.00 23.99 C ATOM 30 C TRP A 7 7.451 -9.329 56.117 1.00 24.25 C ATOM 31 O TRP A 7 7.292 -10.458 55.668 1.00 26.90 O ATOM 32 CB TRP A 7 9.743 -8.821 57.005 1.00 19.93 C ATOM 33 CG TRP A 7 10.492 -9.976 56.385 1.00 16.46 C ATOM 34 CD1 TRP A 7 10.462 -10.361 55.079 1.00 13.93 C ATOM 35 CD2 TRP A 7 11.425 -10.851 57.039 1.00 15.35 C ATOM 36 NE1 TRP A 7 11.316 -11.411 54.872 1.00 15.08 N ATOM 37 CE2 TRP A 7 11.913 -11.744 56.058 1.00 15.68 C ATOM 38 CE3 TRP A 7 11.892 -10.968 58.359 1.00 17.81 C ATOM 39 CZ2 TRP A 7 12.842 -12.755 56.353 1.00 14.53 C ATOM 40 CZ3 TRP A 7 12.820 -11.971 58.653 1.00 15.13 C ATOM 41 CH2 TRP A 7 13.280 -12.854 57.649 1.00 13.68 C ATOM 0 H TRP A 7 8.254 -11.071 57.749 1.00 23.75 H new ATOM 0 HA TRP A 7 7.930 -8.378 57.887 1.00 23.99 H new ATOM 0 HB2 TRP A 7 9.754 -8.075 56.385 1.00 19.93 H new ATOM 0 HB3 TRP A 7 10.217 -8.535 57.802 1.00 19.93 H new ATOM 0 HD1 TRP A 7 9.936 -9.967 54.421 1.00 13.93 H new ATOM 0 HE1 TRP A 7 11.455 -11.799 54.117 1.00 15.08 H new ATOM 0 HE3 TRP A 7 11.590 -10.391 59.023 1.00 17.81 H new ATOM 0 HZ2 TRP A 7 13.149 -13.336 55.694 1.00 14.53 H new ATOM 0 HZ3 TRP A 7 13.140 -12.059 59.522 1.00 15.13 H new ATOM 0 HH2 TRP A 7 13.893 -13.517 57.872 1.00 13.68 H new ATOM 42 N LYS A 8 6.843 -8.260 55.601 1.00 26.91 N ATOM 43 CA LYS A 8 6.097 -8.330 54.328 1.00 26.10 C ATOM 44 C LYS A 8 7.070 -8.363 53.153 1.00 23.45 C ATOM 45 O LYS A 8 6.915 -9.163 52.233 1.00 26.00 O ATOM 46 CB LYS A 8 5.139 -7.135 54.176 1.00 24.14 C ATOM 0 H LYS A 8 6.847 -7.482 55.968 1.00 26.91 H new ATOM 0 HA LYS A 8 5.569 -9.144 54.335 1.00 26.10 H new ATOM 47 N CYS A 9 8.157 -7.607 53.284 1.00 20.05 N ATOM 48 CA CYS A 9 9.227 -7.614 52.300 1.00 18.70 C ATOM 49 C CYS A 9 10.556 -7.335 52.991 1.00 18.91 C ATOM 50 O CYS A 9 10.591 -6.822 54.109 1.00 20.92 O ATOM 51 CB CYS A 9 8.962 -6.545 51.233 1.00 19.34 C ATOM 52 SG CYS A 9 8.776 -4.861 51.902 1.00 20.13 S ATOM 0 H CYS A 9 8.292 -7.076 53.947 1.00 20.05 H new ATOM 0 HA CYS A 9 9.263 -8.484 51.873 1.00 18.70 H new ATOM 0 HB2 CYS A 9 9.692 -6.551 50.594 1.00 19.34 H new ATOM 0 HB3 CYS A 9 8.157 -6.780 50.746 1.00 19.34 H new ATOM 53 N CYS A 10 11.647 -7.596 52.283 1.00 18.68 N ATOM 54 CA CYS A 10 12.978 -7.387 52.833 1.00 18.23 C ATOM 55 C CYS A 10 13.992 -7.036 51.751 1.00 18.35 C ATOM 56 O CYS A 10 14.248 -7.831 50.846 1.00 18.25 O ATOM 57 CB CYS A 10 13.446 -8.638 53.580 1.00 16.97 C ATOM 58 SG CYS A 10 15.012 -8.398 54.474 1.00 16.04 S ATOM 0 H CYS A 10 11.637 -7.897 51.477 1.00 18.68 H new ATOM 0 HA CYS A 10 12.920 -6.639 53.447 1.00 18.23 H new ATOM 0 HB2 CYS A 10 12.759 -8.907 54.210 1.00 16.97 H new ATOM 0 HB3 CYS A 10 13.550 -9.365 52.947 1.00 16.97 H new ATOM 59 N ASP A 11 14.651 -5.893 51.925 1.00 18.33 N ATOM 60 CA ASP A 11 15.690 -5.438 51.004 1.00 17.49 C ATOM 61 C ASP A 11 17.005 -6.159 51.252 1.00 17.70 C ATOM 62 O ASP A 11 17.749 -6.450 50.314 1.00 21.15 O ATOM 63 CB ASP A 11 15.905 -3.917 51.138 1.00 19.47 C ATOM 64 CG ASP A 11 14.774 -3.090 50.507 1.00 21.06 C ATOM 65 OD1 ASP A 11 14.112 -3.557 49.556 1.00 19.48 O ATOM 66 OD2 ASP A 11 14.568 -1.940 50.952 1.00 24.25 O ATOM 0 H ASP A 11 14.508 -5.358 52.583 1.00 18.33 H new ATOM 0 HA ASP A 11 15.390 -5.643 50.105 1.00 17.49 H new ATOM 0 HB2 ASP A 11 15.980 -3.688 52.078 1.00 19.47 H new ATOM 0 HB3 ASP A 11 16.746 -3.677 50.719 1.00 19.47 H new ATOM 67 N GLU A 12 17.294 -6.440 52.519 1.00 17.86 N ATOM 68 CA GLU A 12 18.566 -7.037 52.901 1.00 17.16 C ATOM 69 C GLU A 12 18.322 -8.343 53.642 1.00 17.97 C ATOM 70 O GLU A 12 18.436 -8.386 54.863 1.00 18.90 O ATOM 71 CB GLU A 12 19.341 -6.079 53.804 1.00 16.73 C ATOM 72 CG GLU A 12 19.578 -4.704 53.183 1.00 27.39 C ATOM 73 CD GLU A 12 20.125 -3.692 54.179 1.00 34.00 C ATOM 74 OE1 GLU A 12 21.285 -3.256 54.012 1.00 35.43 O ATOM 75 OE2 GLU A 12 19.386 -3.316 55.117 1.00 36.99 O ATOM 0 H GLU A 12 16.761 -6.290 53.177 1.00 17.86 H new ATOM 0 HA GLU A 12 19.083 -7.212 52.099 1.00 17.16 H new ATOM 0 HB2 GLU A 12 18.856 -5.969 54.637 1.00 16.73 H new ATOM 0 HB3 GLU A 12 20.198 -6.477 54.025 1.00 16.73 H new ATOM 0 HG2 GLU A 12 20.199 -4.791 52.443 1.00 27.39 H new ATOM 0 HG3 GLU A 12 18.744 -4.372 52.816 1.00 27.39 H new ATOM 76 N ALA A 13 17.931 -9.388 52.918 1.00 17.20 N ATOM 77 CA ALA A 13 17.738 -10.705 53.523 1.00 19.41 C ATOM 78 C ALA A 13 19.046 -11.484 53.510 1.00 20.26 C ATOM 79 O ALA A 13 19.619 -11.695 52.447 1.00 24.30 O ATOM 80 CB ALA A 13 16.675 -11.478 52.768 1.00 15.90 C ATOM 0 H ALA A 13 17.772 -9.356 52.073 1.00 17.20 H new ATOM 0 HA ALA A 13 17.449 -10.584 54.441 1.00 19.41 H new ATOM 0 HB1 ALA A 13 16.556 -12.349 53.178 1.00 15.90 H new ATOM 0 HB2 ALA A 13 15.837 -10.990 52.797 1.00 15.90 H new ATOM 0 HB3 ALA A 13 16.951 -11.591 51.845 1.00 15.90 H new ATOM 81 N VAL A 14 19.538 -11.879 54.682 1.00 18.82 N ATOM 82 CA VAL A 14 20.710 -12.748 54.740 1.00 16.65 C ATOM 83 C VAL A 14 20.227 -14.166 54.981 1.00 16.78 C ATOM 84 O VAL A 14 19.674 -14.468 56.040 1.00 17.52 O ATOM 85 CB VAL A 14 21.689 -12.318 55.866 1.00 17.03 C ATOM 86 CG1 VAL A 14 22.909 -13.242 55.892 1.00 13.21 C ATOM 87 CG2 VAL A 14 22.127 -10.860 55.653 1.00 14.56 C ATOM 0 H VAL A 14 19.212 -11.658 55.447 1.00 18.82 H new ATOM 0 HA VAL A 14 21.196 -12.686 53.903 1.00 16.65 H new ATOM 0 HB VAL A 14 21.234 -12.386 56.720 1.00 17.03 H new ATOM 0 HG11 VAL A 14 23.512 -12.963 56.599 1.00 13.21 H new ATOM 0 HG12 VAL A 14 22.621 -14.154 56.055 1.00 13.21 H new ATOM 0 HG13 VAL A 14 23.368 -13.196 55.039 1.00 13.21 H new ATOM 0 HG21 VAL A 14 22.738 -10.599 56.360 1.00 14.56 H new ATOM 0 HG22 VAL A 14 22.572 -10.778 54.795 1.00 14.56 H new ATOM 0 HG23 VAL A 14 21.348 -10.282 55.670 1.00 14.56 H new ATOM 88 N CYS A 15 20.312 -14.988 53.938 1.00 17.74 N ATOM 89 CA CYS A 15 19.784 -16.350 53.972 1.00 18.73 C ATOM 90 C CYS A 15 20.872 -17.350 53.656 1.00 21.26 C ATOM 91 O CYS A 15 21.812 -17.053 52.897 1.00 20.36 O ATOM 92 CB CYS A 15 18.669 -16.543 52.941 1.00 18.64 C ATOM 93 SG CYS A 15 17.248 -15.438 53.109 1.00 18.38 S ATOM 0 H CYS A 15 20.678 -14.772 53.190 1.00 17.74 H new ATOM 0 HA CYS A 15 19.436 -16.492 54.866 1.00 18.73 H new ATOM 0 HB2 CYS A 15 19.046 -16.426 52.055 1.00 18.64 H new ATOM 0 HB3 CYS A 15 18.354 -17.459 52.997 1.00 18.64 H new ATOM 94 N THR A 16 20.671 -18.571 54.139 1.00 21.23 N ATOM 95 CA THR A 16 21.529 -19.691 53.766 1.00 21.50 C ATOM 96 C THR A 16 21.061 -20.262 52.431 1.00 23.00 C ATOM 97 O THR A 16 19.883 -20.130 52.053 1.00 21.95 O ATOM 98 CB THR A 16 21.481 -20.800 54.826 1.00 20.20 C ATOM 99 OG1 THR A 16 20.120 -21.212 55.025 1.00 18.99 O ATOM 100 CG2 THR A 16 22.054 -20.293 56.135 1.00 20.32 C ATOM 0 H THR A 16 20.040 -18.773 54.687 1.00 21.23 H new ATOM 0 HA THR A 16 22.441 -19.367 53.696 1.00 21.50 H new ATOM 0 HB THR A 16 22.009 -21.554 54.521 1.00 20.20 H new ATOM 0 HG1 THR A 16 19.997 -21.959 54.661 1.00 18.99 H new ATOM 0 HG21 THR A 16 22.020 -21.000 56.799 1.00 20.32 H new ATOM 0 HG22 THR A 16 22.975 -20.020 56.001 1.00 20.32 H new ATOM 0 HG23 THR A 16 21.534 -19.535 56.444 1.00 20.32 H new ATOM 101 N ARG A 17 21.991 -20.858 51.695 1.00 24.95 N ATOM 102 CA ARG A 17 21.634 -21.543 50.465 1.00 28.37 C ATOM 103 C ARG A 17 21.242 -22.969 50.814 1.00 27.46 C ATOM 104 O ARG A 17 22.076 -23.875 50.812 1.00 27.29 O ATOM 105 CB ARG A 17 22.807 -21.541 49.487 1.00 33.42 C ATOM 106 CG ARG A 17 22.379 -21.501 48.029 1.00 42.04 C ATOM 107 CD ARG A 17 23.227 -22.414 47.176 1.00 52.13 C ATOM 108 NE ARG A 17 24.653 -22.114 47.289 1.00 61.69 N ATOM 109 CZ ARG A 17 25.604 -23.041 47.392 1.00 65.38 C ATOM 110 NH1 ARG A 17 26.882 -22.683 47.429 1.00 68.58 N ATOM 111 NH2 ARG A 17 25.278 -24.326 47.503 1.00 65.80 N ATOM 0 H ARG A 17 22.828 -20.877 51.890 1.00 24.95 H new ATOM 0 HA ARG A 17 20.893 -21.086 50.037 1.00 28.37 H new ATOM 0 HB2 ARG A 17 23.372 -20.775 49.672 1.00 33.42 H new ATOM 0 HB3 ARG A 17 23.346 -22.334 49.637 1.00 33.42 H new ATOM 0 HG2 ARG A 17 21.448 -21.762 47.957 1.00 42.04 H new ATOM 0 HG3 ARG A 17 22.445 -20.592 47.696 1.00 42.04 H new ATOM 0 HD2 ARG A 17 23.071 -23.335 47.438 1.00 52.13 H new ATOM 0 HD3 ARG A 17 22.954 -22.332 46.249 1.00 52.13 H new ATOM 0 HE ARG A 17 24.893 -21.288 47.289 1.00 61.69 H new ATOM 0 HH11 ARG A 17 27.097 -21.851 47.386 1.00 68.58 H new ATOM 0 HH12 ARG A 17 27.495 -23.283 47.496 1.00 68.58 H new ATOM 0 HH21 ARG A 17 24.451 -24.561 47.508 1.00 65.80 H new ATOM 0 HH22 ARG A 17 25.895 -24.922 47.569 1.00 65.80 H new ATOM 112 N SER A 18 20.013 -23.121 51.286 1.00 24.96 N ATOM 113 CA SER A 18 19.517 -24.420 51.704 1.00 24.60 C ATOM 114 C SER A 18 18.056 -24.513 51.343 1.00 24.03 C ATOM 115 O SER A 18 17.423 -23.504 51.038 1.00 23.99 O ATOM 116 CB SER A 18 19.710 -24.622 53.223 1.00 24.87 C ATOM 117 OG SER A 18 19.130 -23.589 54.010 1.00 20.18 O ATOM 0 H SER A 18 19.448 -22.479 51.372 1.00 24.96 H new ATOM 0 HA SER A 18 20.016 -25.118 51.251 1.00 24.60 H new ATOM 0 HB2 SER A 18 19.321 -25.472 53.481 1.00 24.87 H new ATOM 0 HB3 SER A 18 20.659 -24.673 53.417 1.00 24.87 H new ATOM 0 HG SER A 18 18.296 -23.689 54.033 1.00 20.18 H new ATOM 118 N ILE A 19 17.527 -25.728 51.359 1.00 24.39 N ATOM 119 CA ILE A 19 16.104 -25.946 51.148 1.00 23.15 C ATOM 120 C ILE A 19 15.482 -26.451 52.445 1.00 22.73 C ATOM 121 O ILE A 19 15.756 -27.570 52.859 1.00 26.04 O ATOM 122 CB ILE A 19 15.885 -26.991 50.035 1.00 24.63 C ATOM 123 CG1 ILE A 19 16.527 -26.496 48.738 1.00 24.86 C ATOM 124 CG2 ILE A 19 14.393 -27.261 49.837 1.00 22.64 C ATOM 125 CD1 ILE A 19 16.714 -27.580 47.713 1.00 29.50 C ATOM 0 H ILE A 19 17.980 -26.447 51.492 1.00 24.39 H new ATOM 0 HA ILE A 19 15.688 -25.111 50.882 1.00 23.15 H new ATOM 0 HB ILE A 19 16.304 -27.826 50.294 1.00 24.63 H new ATOM 0 HG12 ILE A 19 15.975 -25.794 48.359 1.00 24.86 H new ATOM 0 HG13 ILE A 19 17.389 -26.101 48.942 1.00 24.86 H new ATOM 0 HG21 ILE A 19 14.273 -27.919 49.135 1.00 22.64 H new ATOM 0 HG22 ILE A 19 14.012 -27.598 50.663 1.00 22.64 H new ATOM 0 HG23 ILE A 19 13.945 -26.438 49.587 1.00 22.64 H new ATOM 0 HD11 ILE A 19 17.123 -27.206 46.917 1.00 29.50 H new ATOM 0 HD12 ILE A 19 17.288 -28.273 48.076 1.00 29.50 H new ATOM 0 HD13 ILE A 19 15.852 -27.961 47.484 1.00 29.50 H new ATOM 126 N PRO A 20 14.672 -25.618 53.129 1.00 22.12 N ATOM 127 CA PRO A 20 14.393 -24.207 52.844 1.00 21.62 C ATOM 128 C PRO A 20 15.504 -23.291 53.366 1.00 20.76 C ATOM 129 O PRO A 20 16.389 -23.732 54.113 1.00 17.74 O ATOM 130 CB PRO A 20 13.069 -23.964 53.563 1.00 19.68 C ATOM 131 CG PRO A 20 13.125 -24.870 54.743 1.00 22.36 C ATOM 132 CD PRO A 20 14.060 -26.024 54.409 1.00 21.97 C ATOM 0 HA PRO A 20 14.348 -24.014 51.895 1.00 21.62 H new ATOM 0 HB2 PRO A 20 12.976 -23.037 53.832 1.00 19.68 H new ATOM 0 HB3 PRO A 20 12.312 -24.171 52.992 1.00 19.68 H new ATOM 0 HG2 PRO A 20 13.444 -24.390 55.523 1.00 22.36 H new ATOM 0 HG3 PRO A 20 12.239 -25.203 54.957 1.00 22.36 H new ATOM 0 HD2 PRO A 20 14.729 -26.152 55.099 1.00 21.97 H new ATOM 0 HD3 PRO A 20 13.577 -26.861 54.324 1.00 21.97 H new ATOM 133 N PRO A 21 15.526 -22.032 52.896 1.00 20.56 N ATOM 134 CA PRO A 21 16.504 -21.055 53.385 1.00 19.01 C ATOM 135 C PRO A 21 16.242 -20.673 54.841 1.00 18.85 C ATOM 136 O PRO A 21 15.096 -20.663 55.304 1.00 16.72 O ATOM 137 CB PRO A 21 16.315 -19.849 52.451 1.00 19.73 C ATOM 138 CG PRO A 21 15.399 -20.311 51.356 1.00 17.88 C ATOM 139 CD PRO A 21 14.584 -21.413 51.947 1.00 20.10 C ATOM 0 HA PRO A 21 17.410 -21.402 53.374 1.00 19.01 H new ATOM 0 HB2 PRO A 21 15.932 -19.097 52.929 1.00 19.73 H new ATOM 0 HB3 PRO A 21 17.165 -19.553 52.090 1.00 19.73 H new ATOM 0 HG2 PRO A 21 14.833 -19.587 51.047 1.00 17.88 H new ATOM 0 HG3 PRO A 21 15.903 -20.624 50.589 1.00 17.88 H new ATOM 0 HD2 PRO A 21 13.791 -21.077 52.393 1.00 20.10 H new ATOM 0 HD3 PRO A 21 14.285 -22.043 51.273 1.00 20.10 H new ATOM 140 N ILE A 22 17.319 -20.435 55.577 1.00 18.49 N ATOM 141 CA ILE A 22 17.217 -19.843 56.904 1.00 16.65 C ATOM 142 C ILE A 22 17.614 -18.373 56.780 1.00 15.81 C ATOM 143 O ILE A 22 18.748 -18.059 56.435 1.00 17.19 O ATOM 144 CB ILE A 22 18.166 -20.543 57.894 1.00 15.48 C ATOM 145 CG1 ILE A 22 17.828 -22.035 57.984 1.00 15.07 C ATOM 146 CG2 ILE A 22 18.062 -19.882 59.260 1.00 14.98 C ATOM 147 CD1 ILE A 22 18.930 -22.884 58.612 1.00 13.86 C ATOM 0 H ILE A 22 18.123 -20.610 55.325 1.00 18.49 H new ATOM 0 HA ILE A 22 16.312 -19.940 57.238 1.00 16.65 H new ATOM 0 HB ILE A 22 19.079 -20.458 57.578 1.00 15.48 H new ATOM 0 HG12 ILE A 22 17.015 -22.142 58.502 1.00 15.07 H new ATOM 0 HG13 ILE A 22 17.643 -22.370 57.093 1.00 15.07 H new ATOM 0 HG21 ILE A 22 18.661 -20.326 59.881 1.00 14.98 H new ATOM 0 HG22 ILE A 22 18.308 -18.947 59.187 1.00 14.98 H new ATOM 0 HG23 ILE A 22 17.151 -19.952 59.585 1.00 14.98 H new ATOM 0 HD11 ILE A 22 18.649 -23.812 58.637 1.00 13.86 H new ATOM 0 HD12 ILE A 22 19.740 -22.805 58.084 1.00 13.86 H new ATOM 0 HD13 ILE A 22 19.102 -22.575 59.515 1.00 13.86 H new ATOM 148 N CYS A 23 16.684 -17.477 57.081 1.00 16.73 N ATOM 149 CA CYS A 23 16.879 -16.057 56.809 1.00 16.06 C ATOM 150 C CYS A 23 16.814 -15.149 58.030 1.00 16.18 C ATOM 151 O CYS A 23 16.046 -15.385 58.963 1.00 15.87 O ATOM 152 CB CYS A 23 15.849 -15.579 55.790 1.00 13.60 C ATOM 153 SG CYS A 23 15.922 -16.481 54.221 1.00 17.55 S ATOM 0 H CYS A 23 15.929 -17.670 57.445 1.00 16.73 H new ATOM 0 HA CYS A 23 17.785 -15.989 56.468 1.00 16.06 H new ATOM 0 HB2 CYS A 23 14.961 -15.673 56.169 1.00 13.60 H new ATOM 0 HB3 CYS A 23 15.986 -14.634 55.619 1.00 13.60 H new ATOM 154 N THR A 24 17.589 -14.068 57.966 1.00 16.13 N ATOM 155 CA THR A 24 17.401 -12.895 58.812 1.00 17.48 C ATOM 156 C THR A 24 17.207 -11.686 57.893 1.00 15.91 C ATOM 157 O THR A 24 17.820 -11.602 56.836 1.00 14.35 O ATOM 158 CB THR A 24 18.641 -12.669 59.699 1.00 21.87 C ATOM 159 OG1 THR A 24 18.779 -13.778 60.592 1.00 25.70 O ATOM 160 CG2 THR A 24 18.514 -11.384 60.518 1.00 20.17 C ATOM 0 H THR A 24 18.250 -13.996 57.420 1.00 16.13 H new ATOM 0 HA THR A 24 16.631 -13.021 59.389 1.00 17.48 H new ATOM 0 HB THR A 24 19.419 -12.589 59.125 1.00 21.87 H new ATOM 0 HG1 THR A 24 18.907 -14.480 60.149 1.00 25.70 H new ATOM 0 HG21 THR A 24 19.307 -11.269 61.065 1.00 20.17 H new ATOM 0 HG22 THR A 24 18.422 -10.626 59.919 1.00 20.17 H new ATOM 0 HG23 THR A 24 17.733 -11.441 61.090 1.00 20.17 H new ATOM 161 N CYS A 25 16.298 -10.792 58.259 1.00 14.35 N ATOM 162 CA CYS A 25 16.150 -9.540 57.517 1.00 15.77 C ATOM 163 C CYS A 25 16.893 -8.404 58.222 1.00 14.71 C ATOM 164 O CYS A 25 16.501 -7.971 59.309 1.00 15.57 O ATOM 165 CB CYS A 25 14.677 -9.177 57.369 1.00 14.30 C ATOM 166 SG CYS A 25 14.418 -7.739 56.297 1.00 16.89 S ATOM 0 H CYS A 25 15.762 -10.885 58.925 1.00 14.35 H new ATOM 0 HA CYS A 25 16.534 -9.667 56.635 1.00 15.77 H new ATOM 0 HB2 CYS A 25 14.195 -9.937 57.007 1.00 14.30 H new ATOM 0 HB3 CYS A 25 14.303 -8.995 58.245 1.00 14.30 H new ATOM 167 N MET A 26 17.936 -7.898 57.571 1.00 13.22 N ATOM 168 CA MET A 26 18.787 -6.860 58.160 1.00 16.08 C ATOM 169 C MET A 26 18.268 -5.432 57.976 1.00 16.42 C ATOM 170 O MET A 26 18.895 -4.486 58.436 1.00 17.47 O ATOM 171 CB MET A 26 20.203 -6.957 57.596 1.00 16.15 C ATOM 172 CG MET A 26 21.004 -8.120 58.149 1.00 22.89 C ATOM 173 SD MET A 26 21.130 -8.083 59.949 1.00 26.41 S ATOM 174 CE MET A 26 22.332 -6.820 60.169 1.00 23.80 C ATOM 0 H MET A 26 18.172 -8.143 56.781 1.00 13.22 H new ATOM 0 HA MET A 26 18.779 -7.033 59.114 1.00 16.08 H new ATOM 0 HB2 MET A 26 20.153 -7.040 56.631 1.00 16.15 H new ATOM 0 HB3 MET A 26 20.675 -6.131 57.786 1.00 16.15 H new ATOM 0 HG2 MET A 26 20.590 -8.953 57.874 1.00 22.89 H new ATOM 0 HG3 MET A 26 21.895 -8.106 57.766 1.00 22.89 H new ATOM 0 HE1 MET A 26 22.870 -7.018 60.951 1.00 23.80 H new ATOM 0 HE2 MET A 26 22.904 -6.777 59.386 1.00 23.80 H new ATOM 0 HE3 MET A 26 21.887 -5.967 60.291 1.00 23.80 H new ATOM 175 N ASP A 27 17.099 -5.279 57.364 1.00 15.39 N ATOM 176 CA ASP A 27 16.520 -3.959 57.142 1.00 16.92 C ATOM 177 C ASP A 27 16.390 -3.197 58.453 1.00 17.59 C ATOM 178 O ASP A 27 15.917 -3.744 59.446 1.00 15.39 O ATOM 179 CB ASP A 27 15.126 -4.083 56.514 1.00 15.78 C ATOM 180 CG ASP A 27 15.167 -4.513 55.065 1.00 16.21 C ATOM 181 OD1 ASP A 27 16.273 -4.776 54.540 1.00 19.00 O ATOM 182 OD2 ASP A 27 14.076 -4.602 54.454 1.00 17.66 O ATOM 0 H ASP A 27 16.623 -5.931 57.068 1.00 15.39 H new ATOM 0 HA ASP A 27 17.112 -3.478 56.543 1.00 16.92 H new ATOM 0 HB2 ASP A 27 14.604 -4.724 57.022 1.00 15.78 H new ATOM 0 HB3 ASP A 27 14.670 -3.230 56.580 1.00 15.78 H new ATOM 183 N GLU A 28 16.796 -1.930 58.441 1.00 19.06 N ATOM 184 CA GLU A 28 16.539 -1.029 59.556 1.00 17.78 C ATOM 185 C GLU A 28 15.059 -0.656 59.580 1.00 18.38 C ATOM 186 O GLU A 28 14.452 -0.465 58.528 1.00 19.51 O ATOM 187 CB GLU A 28 17.404 0.221 59.417 1.00 20.66 C ATOM 188 CG GLU A 28 17.182 1.262 60.501 1.00 24.45 C ATOM 189 CD GLU A 28 18.288 2.308 60.553 1.00 26.27 C ATOM 190 OE1 GLU A 28 19.016 2.466 59.549 1.00 25.89 O ATOM 191 OE2 GLU A 28 18.414 2.992 61.592 1.00 27.05 O ATOM 0 H GLU A 28 17.226 -1.571 57.788 1.00 19.06 H new ATOM 0 HA GLU A 28 16.764 -1.470 60.390 1.00 17.78 H new ATOM 0 HB2 GLU A 28 18.337 -0.043 59.423 1.00 20.66 H new ATOM 0 HB3 GLU A 28 17.230 0.627 58.553 1.00 20.66 H new ATOM 0 HG2 GLU A 28 16.332 1.704 60.349 1.00 24.45 H new ATOM 0 HG3 GLU A 28 17.122 0.819 61.362 1.00 24.45 H new ATOM 192 N VAL A 29 14.455 -0.714 60.768 1.00 16.87 N ATOM 193 CA VAL A 29 13.052 -0.350 60.942 1.00 16.09 C ATOM 194 C VAL A 29 12.945 0.829 61.901 1.00 17.61 C ATOM 195 O VAL A 29 13.786 0.996 62.779 1.00 16.70 O ATOM 196 CB VAL A 29 12.200 -1.544 61.475 1.00 16.18 C ATOM 197 CG1 VAL A 29 12.365 -2.733 60.573 1.00 17.21 C ATOM 198 CG2 VAL A 29 12.603 -1.917 62.894 1.00 17.08 C ATOM 0 H VAL A 29 14.847 -0.965 61.491 1.00 16.87 H new ATOM 0 HA VAL A 29 12.700 -0.104 60.072 1.00 16.09 H new ATOM 0 HB VAL A 29 11.270 -1.269 61.485 1.00 16.18 H new ATOM 0 HG11 VAL A 29 11.833 -3.471 60.910 1.00 17.21 H new ATOM 0 HG12 VAL A 29 12.069 -2.504 59.678 1.00 17.21 H new ATOM 0 HG13 VAL A 29 13.299 -2.993 60.548 1.00 17.21 H new ATOM 0 HG21 VAL A 29 12.059 -2.660 63.200 1.00 17.08 H new ATOM 0 HG22 VAL A 29 13.538 -2.174 62.908 1.00 17.08 H new ATOM 0 HG23 VAL A 29 12.469 -1.155 63.480 1.00 17.08 H new ATOM 199 N PHE A 30 11.948 1.679 61.684 1.00 19.00 N ATOM 200 CA PHE A 30 11.742 2.855 62.525 1.00 21.25 C ATOM 201 C PHE A 30 10.572 2.684 63.484 1.00 24.50 C ATOM 202 O PHE A 30 10.427 3.445 64.434 1.00 26.40 O ATOM 203 CB PHE A 30 11.546 4.088 61.650 1.00 20.09 C ATOM 204 CG PHE A 30 12.780 4.481 60.903 1.00 21.17 C ATOM 205 CD1 PHE A 30 13.052 3.927 59.656 1.00 20.56 C ATOM 206 CD2 PHE A 30 13.759 5.252 61.522 1.00 22.55 C ATOM 207 CE1 PHE A 30 14.283 4.115 59.048 1.00 21.99 C ATOM 208 CE2 PHE A 30 14.998 5.452 60.917 1.00 23.14 C ATOM 209 CZ PHE A 30 15.258 4.872 59.677 1.00 22.52 C ATOM 0 H PHE A 30 11.374 1.592 61.049 1.00 19.00 H new ATOM 0 HA PHE A 30 12.536 2.969 63.071 1.00 21.25 H new ATOM 0 HB2 PHE A 30 10.832 3.918 61.016 1.00 20.09 H new ATOM 0 HB3 PHE A 30 11.261 4.830 62.206 1.00 20.09 H new ATOM 0 HD1 PHE A 30 12.399 3.424 59.225 1.00 20.56 H new ATOM 0 HD2 PHE A 30 13.584 5.639 62.350 1.00 22.55 H new ATOM 0 HE1 PHE A 30 14.455 3.733 58.218 1.00 21.99 H new ATOM 0 HE2 PHE A 30 15.647 5.969 61.338 1.00 23.14 H new ATOM 0 HZ PHE A 30 16.086 4.993 59.272 1.00 22.52 H new ATOM 210 N GLU A 31 9.733 1.687 63.223 1.00 26.98 N ATOM 211 CA GLU A 31 8.884 1.114 64.262 1.00 30.61 C ATOM 212 C GLU A 31 8.808 -0.395 64.056 1.00 29.96 C ATOM 213 O GLU A 31 9.023 -0.889 62.942 1.00 25.94 O ATOM 214 CB GLU A 31 7.475 1.729 64.244 1.00 37.46 C ATOM 215 CG GLU A 31 6.744 1.640 62.905 1.00 47.40 C ATOM 216 CD GLU A 31 5.240 1.943 63.004 1.00 53.81 C ATOM 217 OE1 GLU A 31 4.476 1.312 62.240 1.00 56.30 O ATOM 218 OE2 GLU A 31 4.822 2.825 63.802 1.00 55.83 O ATOM 0 H GLU A 31 9.640 1.327 62.448 1.00 26.98 H new ATOM 0 HA GLU A 31 9.272 1.313 65.129 1.00 30.61 H new ATOM 0 HB2 GLU A 31 6.937 1.289 64.920 1.00 37.46 H new ATOM 0 HB3 GLU A 31 7.542 2.663 64.498 1.00 37.46 H new ATOM 0 HG2 GLU A 31 7.151 2.261 62.281 1.00 47.40 H new ATOM 0 HG3 GLU A 31 6.864 0.750 62.538 1.00 47.40 H new ATOM 219 N CYS A 32 8.589 -1.129 65.145 1.00 28.40 N ATOM 220 CA CYS A 32 8.566 -2.588 65.074 1.00 28.19 C ATOM 221 C CYS A 32 7.281 -3.082 64.423 1.00 28.23 C ATOM 222 O CYS A 32 6.188 -2.779 64.894 1.00 29.82 O ATOM 223 CB CYS A 32 8.715 -3.204 66.466 1.00 25.84 C ATOM 224 SG CYS A 32 9.325 -4.920 66.435 1.00 24.74 S ATOM 0 H CYS A 32 8.452 -0.804 65.930 1.00 28.40 H new ATOM 0 HA CYS A 32 9.317 -2.867 64.528 1.00 28.19 H new ATOM 0 HB2 CYS A 32 9.324 -2.660 66.990 1.00 25.84 H new ATOM 0 HB3 CYS A 32 7.856 -3.181 66.916 1.00 25.84 H new ATOM 225 N PRO A 33 7.401 -3.756 63.264 1.00 28.43 N ATOM 226 CA PRO A 33 6.271 -4.414 62.589 1.00 29.17 C ATOM 227 C PRO A 33 5.430 -5.282 63.525 1.00 31.45 C ATOM 228 O PRO A 33 5.964 -5.975 64.403 1.00 29.58 O ATOM 229 CB PRO A 33 6.949 -5.252 61.507 1.00 28.77 C ATOM 230 CG PRO A 33 8.204 -4.494 61.209 1.00 30.85 C ATOM 231 CD PRO A 33 8.662 -3.939 62.521 1.00 26.43 C ATOM 0 HA PRO A 33 5.635 -3.770 62.240 1.00 29.17 H new ATOM 0 HB2 PRO A 33 7.140 -6.150 61.819 1.00 28.77 H new ATOM 0 HB3 PRO A 33 6.389 -5.339 60.720 1.00 28.77 H new ATOM 0 HG2 PRO A 33 8.878 -5.074 60.822 1.00 30.85 H new ATOM 0 HG3 PRO A 33 8.039 -3.784 60.569 1.00 30.85 H new ATOM 0 HD2 PRO A 33 9.263 -4.548 62.978 1.00 26.43 H new ATOM 0 HD3 PRO A 33 9.138 -3.101 62.410 1.00 26.43 H new ATOM 232 N LYS A 34 4.110 -5.222 63.351 1.00 34.44 N ATOM 233 CA LYS A 34 3.194 -6.059 64.131 1.00 37.27 C ATOM 234 C LYS A 34 3.470 -7.547 63.892 1.00 34.48 C ATOM 235 O LYS A 34 3.278 -8.369 64.785 1.00 34.46 O ATOM 236 CB LYS A 34 1.736 -5.737 63.781 1.00 42.65 C ATOM 237 CG LYS A 34 1.422 -5.806 62.284 1.00 54.13 C ATOM 238 CD LYS A 34 0.011 -6.344 62.010 1.00 62.12 C ATOM 239 CE LYS A 34 -0.033 -7.876 62.025 1.00 66.34 C ATOM 240 NZ LYS A 34 -1.428 -8.409 62.017 1.00 68.38 N ATOM 0 H LYS A 34 3.723 -4.702 62.785 1.00 34.44 H new ATOM 0 HA LYS A 34 3.343 -5.864 65.069 1.00 37.27 H new ATOM 0 HB2 LYS A 34 1.156 -6.356 64.252 1.00 42.65 H new ATOM 0 HB3 LYS A 34 1.525 -4.848 64.105 1.00 42.65 H new ATOM 0 HG2 LYS A 34 1.510 -4.921 61.896 1.00 54.13 H new ATOM 0 HG3 LYS A 34 2.074 -6.374 61.845 1.00 54.13 H new ATOM 0 HD2 LYS A 34 -0.602 -5.997 62.677 1.00 62.12 H new ATOM 0 HD3 LYS A 34 -0.296 -6.021 61.148 1.00 62.12 H new ATOM 0 HE2 LYS A 34 0.445 -8.218 61.253 1.00 66.34 H new ATOM 0 HE3 LYS A 34 0.430 -8.202 62.813 1.00 66.34 H new ATOM 0 HZ1 LYS A 34 -1.406 -9.299 62.026 1.00 68.38 H new ATOM 0 HZ2 LYS A 34 -1.862 -8.116 62.736 1.00 68.38 H new ATOM 0 HZ3 LYS A 34 -1.848 -8.131 61.284 1.00 68.38 H new ATOM 241 N THR A 35 4.026 -7.858 62.723 1.00 32.68 N ATOM 242 CA THR A 35 4.358 -9.228 62.334 1.00 30.28 C ATOM 243 C THR A 35 5.639 -9.751 62.992 1.00 29.50 C ATOM 244 O THR A 35 5.916 -10.946 62.957 1.00 29.53 O ATOM 245 CB THR A 35 4.550 -9.316 60.822 1.00 32.99 C ATOM 246 OG1 THR A 35 5.404 -8.248 60.393 1.00 32.88 O ATOM 247 CG2 THR A 35 3.217 -9.212 60.110 1.00 33.65 C ATOM 0 H THR A 35 4.224 -7.272 62.126 1.00 32.68 H new ATOM 0 HA THR A 35 3.613 -9.773 62.633 1.00 30.28 H new ATOM 0 HB THR A 35 4.952 -10.172 60.605 1.00 32.99 H new ATOM 0 HG1 THR A 35 6.190 -8.533 60.313 1.00 32.88 H new ATOM 0 HG21 THR A 35 3.356 -9.270 59.152 1.00 33.65 H new ATOM 0 HG22 THR A 35 2.640 -9.937 60.396 1.00 33.65 H new ATOM 0 HG23 THR A 35 2.800 -8.363 60.325 1.00 33.65 H new ATOM 248 N CYS A 36 6.481 -8.839 63.462 1.00 26.06 N ATOM 249 CA CYS A 36 7.765 -9.209 64.034 1.00 23.12 C ATOM 250 C CYS A 36 7.609 -9.454 65.526 1.00 22.90 C ATOM 251 O CYS A 36 6.949 -8.685 66.211 1.00 24.84 O ATOM 252 CB CYS A 36 8.770 -8.090 63.783 1.00 22.23 C ATOM 253 SG CYS A 36 10.441 -8.394 64.418 1.00 20.93 S ATOM 0 H CYS A 36 6.324 -7.993 63.458 1.00 26.06 H new ATOM 0 HA CYS A 36 8.087 -10.024 63.617 1.00 23.12 H new ATOM 0 HB2 CYS A 36 8.826 -7.934 62.827 1.00 22.23 H new ATOM 0 HB3 CYS A 36 8.431 -7.274 64.184 1.00 22.23 H new ATOM 254 N LYS A 37 8.166 -10.556 66.018 1.00 22.67 N ATOM 255 CA LYS A 37 8.150 -10.834 67.454 1.00 25.61 C ATOM 256 C LYS A 37 9.136 -10.020 68.292 1.00 26.97 C ATOM 257 O LYS A 37 8.804 -9.632 69.403 1.00 30.46 O ATOM 258 CB LYS A 37 8.341 -12.329 67.726 1.00 24.80 C ATOM 259 CG LYS A 37 7.048 -13.113 67.607 1.00 26.45 C ATOM 0 H LYS A 37 8.557 -11.155 65.541 1.00 22.67 H new ATOM 0 HA LYS A 37 7.269 -10.548 67.743 1.00 25.61 H new ATOM 0 HB2 LYS A 37 8.991 -12.687 67.102 1.00 24.80 H new ATOM 0 HB3 LYS A 37 8.707 -12.448 68.616 1.00 24.80 H new ATOM 260 N SER A 38 10.344 -9.763 67.798 1.00 24.91 N ATOM 261 CA SER A 38 11.235 -8.872 68.537 1.00 23.86 C ATOM 262 C SER A 38 12.120 -7.977 67.692 1.00 20.79 C ATOM 263 O SER A 38 12.801 -8.429 66.778 1.00 18.68 O ATOM 264 CB SER A 38 12.094 -9.663 69.520 1.00 26.89 C ATOM 265 OG SER A 38 13.133 -10.346 68.851 1.00 38.90 O ATOM 0 H SER A 38 10.659 -10.081 67.064 1.00 24.91 H new ATOM 0 HA SER A 38 10.635 -8.271 69.006 1.00 23.86 H new ATOM 0 HB2 SER A 38 12.471 -9.062 70.181 1.00 26.89 H new ATOM 0 HB3 SER A 38 11.540 -10.299 69.999 1.00 26.89 H new ATOM 0 HG SER A 38 13.593 -10.773 69.409 1.00 38.90 H new ATOM 266 N CYS A 39 12.087 -6.690 67.999 1.00 20.74 N ATOM 267 CA CYS A 39 12.984 -5.739 67.370 1.00 21.58 C ATOM 268 C CYS A 39 14.061 -5.364 68.333 1.00 19.60 C ATOM 269 O CYS A 39 13.892 -5.477 69.535 1.00 21.06 O ATOM 270 CB CYS A 39 12.239 -4.488 66.957 1.00 22.55 C ATOM 271 SG CYS A 39 11.139 -4.794 65.552 1.00 27.64 S ATOM 0 H CYS A 39 11.548 -6.346 68.574 1.00 20.74 H new ATOM 0 HA CYS A 39 13.365 -6.153 66.580 1.00 21.58 H new ATOM 0 HB2 CYS A 39 11.721 -4.157 67.707 1.00 22.55 H new ATOM 0 HB3 CYS A 39 12.876 -3.794 66.724 1.00 22.55 H new ATOM 272 N GLY A 40 15.205 -4.990 67.801 1.00 18.53 N ATOM 273 CA GLY A 40 16.304 -4.632 68.665 1.00 20.94 C ATOM 274 C GLY A 40 17.490 -4.239 67.832 1.00 20.33 C ATOM 275 O GLY A 40 17.417 -4.234 66.599 1.00 21.21 O ATOM 0 H GLY A 40 15.365 -4.937 66.958 1.00 18.53 H new ATOM 0 HA2 GLY A 40 16.046 -3.898 69.245 1.00 20.94 H new ATOM 0 HA3 GLY A 40 16.533 -5.380 69.239 1.00 20.94 H new ATOM 276 N PRO A 41 18.602 -3.894 68.480 1.00 20.72 N ATOM 277 CA PRO A 41 19.790 -3.384 67.799 1.00 20.33 C ATOM 278 C PRO A 41 20.432 -4.433 66.911 1.00 22.55 C ATOM 279 O PRO A 41 20.155 -5.627 67.031 1.00 23.87 O ATOM 280 CB PRO A 41 20.705 -2.985 68.951 1.00 22.52 C ATOM 281 CG PRO A 41 19.764 -2.691 70.071 1.00 22.66 C ATOM 282 CD PRO A 41 18.719 -3.755 69.938 1.00 21.81 C ATOM 0 HA PRO A 41 19.591 -2.649 67.198 1.00 20.33 H new ATOM 0 HB2 PRO A 41 21.319 -3.700 69.181 1.00 22.52 H new ATOM 0 HB3 PRO A 41 21.243 -2.210 68.726 1.00 22.52 H new ATOM 0 HG2 PRO A 41 20.209 -2.733 70.932 1.00 22.66 H new ATOM 0 HG3 PRO A 41 19.382 -1.803 69.993 1.00 22.66 H new ATOM 0 HD2 PRO A 41 18.991 -4.585 70.360 1.00 21.81 H new ATOM 0 HD3 PRO A 41 17.879 -3.491 70.345 1.00 21.81 H new ATOM 283 N SER A 42 21.300 -3.978 66.022 1.00 20.49 N ATOM 284 CA SER A 42 22.104 -4.876 65.227 1.00 22.69 C ATOM 285 C SER A 42 23.410 -4.171 64.953 1.00 24.16 C ATOM 286 O SER A 42 23.480 -2.949 65.055 1.00 22.61 O ATOM 287 CB SER A 42 21.397 -5.162 63.918 1.00 21.03 C ATOM 288 OG SER A 42 21.076 -3.936 63.277 1.00 22.75 O ATOM 0 H SER A 42 21.437 -3.143 65.866 1.00 20.49 H new ATOM 0 HA SER A 42 22.252 -5.716 65.689 1.00 22.69 H new ATOM 0 HB2 SER A 42 21.964 -5.700 63.344 1.00 21.03 H new ATOM 0 HB3 SER A 42 20.590 -5.675 64.080 1.00 21.03 H new ATOM 0 HG SER A 42 20.613 -3.462 63.794 1.00 22.75 H new ATOM 289 N MET A 43 24.441 -4.952 64.638 1.00 25.55 N ATOM 290 CA MET A 43 25.724 -4.432 64.170 1.00 26.06 C ATOM 291 C MET A 43 26.486 -3.606 65.196 1.00 27.67 C ATOM 292 O MET A 43 27.370 -2.836 64.833 1.00 30.40 O ATOM 293 CB MET A 43 25.526 -3.599 62.902 1.00 26.75 C ATOM 294 CG MET A 43 24.817 -4.334 61.795 1.00 31.46 C ATOM 295 SD MET A 43 24.893 -3.443 60.257 1.00 36.26 S ATOM 296 CE MET A 43 26.640 -3.635 59.854 1.00 36.58 C ATOM 0 H MET A 43 24.415 -5.810 64.691 1.00 25.55 H new ATOM 0 HA MET A 43 26.267 -5.216 63.992 1.00 26.06 H new ATOM 0 HB2 MET A 43 25.020 -2.802 63.125 1.00 26.75 H new ATOM 0 HB3 MET A 43 26.392 -3.305 62.580 1.00 26.75 H new ATOM 0 HG2 MET A 43 25.216 -5.211 61.681 1.00 31.46 H new ATOM 0 HG3 MET A 43 23.890 -4.475 62.042 1.00 31.46 H new ATOM 0 HE1 MET A 43 26.764 -3.541 58.897 1.00 36.58 H new ATOM 0 HE2 MET A 43 27.155 -2.954 60.315 1.00 36.58 H new ATOM 0 HE3 MET A 43 26.942 -4.513 60.134 1.00 36.58 H new ATOM 297 N GLY A 44 26.127 -3.741 66.469 1.00 28.42 N ATOM 298 CA GLY A 44 26.825 -3.013 67.519 1.00 31.11 C ATOM 299 C GLY A 44 26.367 -1.568 67.667 1.00 33.26 C ATOM 300 O GLY A 44 26.855 -0.817 68.512 1.00 36.25 O ATOM 0 H GLY A 44 25.487 -4.245 66.743 1.00 28.42 H new ATOM 0 HA2 GLY A 44 26.695 -3.474 68.363 1.00 31.11 H new ATOM 0 HA3 GLY A 44 27.777 -3.025 67.333 1.00 31.11 H new ATOM 301 N ASP A 45 25.395 -1.194 66.850 1.00 33.34 N ATOM 302 CA ASP A 45 24.842 0.141 66.857 1.00 29.09 C ATOM 303 C ASP A 45 23.496 0.088 67.565 1.00 29.74 C ATOM 304 O ASP A 45 22.524 -0.416 67.015 1.00 29.56 O ATOM 305 CB ASP A 45 24.671 0.608 65.414 1.00 26.45 C ATOM 306 CG ASP A 45 24.274 2.051 65.316 1.00 26.06 C ATOM 307 OD1 ASP A 45 23.825 2.616 66.334 1.00 26.20 O ATOM 308 OD2 ASP A 45 24.384 2.616 64.210 1.00 29.19 O ATOM 0 H ASP A 45 25.036 -1.717 66.270 1.00 33.34 H new ATOM 0 HA ASP A 45 25.426 0.762 67.319 1.00 29.09 H new ATOM 0 HB2 ASP A 45 25.502 0.472 64.933 1.00 26.45 H new ATOM 0 HB3 ASP A 45 23.999 0.061 64.978 1.00 26.45 H new ATOM 309 N PRO A 46 23.417 0.628 68.793 1.00 30.10 N ATOM 310 CA PRO A 46 22.157 0.593 69.549 1.00 29.12 C ATOM 311 C PRO A 46 21.023 1.349 68.855 1.00 28.90 C ATOM 312 O PRO A 46 19.849 1.063 69.086 1.00 29.50 O ATOM 313 CB PRO A 46 22.530 1.219 70.899 1.00 29.52 C ATOM 314 CG PRO A 46 23.771 2.003 70.624 1.00 28.43 C ATOM 315 CD PRO A 46 24.508 1.225 69.580 1.00 29.01 C ATOM 0 HA PRO A 46 21.808 -0.308 69.635 1.00 29.12 H new ATOM 0 HB2 PRO A 46 21.819 1.789 71.231 1.00 29.52 H new ATOM 0 HB3 PRO A 46 22.685 0.538 71.572 1.00 29.52 H new ATOM 0 HG2 PRO A 46 23.558 2.896 70.310 1.00 28.43 H new ATOM 0 HG3 PRO A 46 24.306 2.105 71.427 1.00 28.43 H new ATOM 0 HD2 PRO A 46 25.074 1.796 69.037 1.00 29.01 H new ATOM 0 HD3 PRO A 46 25.082 0.548 69.972 1.00 29.01 H new ATOM 316 N SER A 47 21.384 2.229 67.924 1.00 29.49 N ATOM 317 CA SER A 47 20.401 2.991 67.167 1.00 30.14 C ATOM 318 C SER A 47 20.054 2.391 65.788 1.00 28.84 C ATOM 319 O SER A 47 19.208 2.925 65.073 1.00 29.71 O ATOM 320 CB SER A 47 20.871 4.450 67.017 1.00 31.68 C ATOM 321 OG SER A 47 21.934 4.568 66.083 1.00 38.69 O ATOM 0 H SER A 47 22.201 2.399 67.716 1.00 29.49 H new ATOM 0 HA SER A 47 19.578 2.953 67.680 1.00 30.14 H new ATOM 0 HB2 SER A 47 20.126 5.002 66.731 1.00 31.68 H new ATOM 0 HB3 SER A 47 21.159 4.787 67.880 1.00 31.68 H new ATOM 0 HG SER A 47 22.485 3.946 66.205 1.00 38.69 H new ATOM 322 N ARG A 48 20.645 1.254 65.437 1.00 25.42 N ATOM 323 CA ARG A 48 20.232 0.577 64.217 1.00 24.90 C ATOM 324 C ARG A 48 19.358 -0.617 64.541 1.00 25.21 C ATOM 325 O ARG A 48 19.843 -1.741 64.647 1.00 25.60 O ATOM 326 CB ARG A 48 21.432 0.123 63.394 1.00 24.96 C ATOM 327 CG ARG A 48 21.092 -0.101 61.939 1.00 22.89 C ATOM 328 CD ARG A 48 22.162 -0.894 61.249 1.00 25.10 C ATOM 329 NE ARG A 48 21.805 -1.162 59.865 1.00 25.09 N ATOM 330 CZ ARG A 48 21.101 -2.212 59.460 1.00 24.14 C ATOM 331 NH1 ARG A 48 20.810 -2.350 58.180 1.00 22.55 N ATOM 332 NH2 ARG A 48 20.704 -3.131 60.325 1.00 21.10 N ATOM 0 H ARG A 48 21.272 0.866 65.880 1.00 25.42 H new ATOM 0 HA ARG A 48 19.725 1.215 63.691 1.00 24.90 H new ATOM 0 HB2 ARG A 48 22.134 0.789 63.459 1.00 24.96 H new ATOM 0 HB3 ARG A 48 21.785 -0.699 63.770 1.00 24.96 H new ATOM 0 HG2 ARG A 48 20.244 -0.568 61.870 1.00 22.89 H new ATOM 0 HG3 ARG A 48 20.982 0.754 61.494 1.00 22.89 H new ATOM 0 HD2 ARG A 48 23.001 -0.408 61.281 1.00 25.10 H new ATOM 0 HD3 ARG A 48 22.301 -1.731 61.718 1.00 25.10 H new ATOM 0 HE ARG A 48 22.068 -0.602 59.268 1.00 25.09 H new ATOM 0 HH11 ARG A 48 21.076 -1.761 57.613 1.00 22.55 H new ATOM 0 HH12 ARG A 48 20.354 -3.029 57.913 1.00 22.55 H new ATOM 0 HH21 ARG A 48 20.902 -3.051 61.158 1.00 21.10 H new ATOM 0 HH22 ARG A 48 20.248 -3.808 60.054 1.00 21.10 H new ATOM 333 N ARG A 49 18.056 -0.371 64.623 1.00 22.91 N ATOM 334 CA ARG A 49 17.119 -1.387 65.054 1.00 22.25 C ATOM 335 C ARG A 49 16.510 -2.163 63.892 1.00 22.68 C ATOM 336 O ARG A 49 16.336 -1.626 62.789 1.00 20.57 O ATOM 337 CB ARG A 49 16.041 -0.756 65.937 1.00 24.12 C ATOM 338 CG ARG A 49 16.634 -0.156 67.205 1.00 28.17 C ATOM 339 CD ARG A 49 15.582 0.378 68.140 1.00 37.75 C ATOM 340 NE ARG A 49 14.939 -0.689 68.897 1.00 44.27 N ATOM 341 CZ ARG A 49 13.697 -1.118 68.681 1.00 46.40 C ATOM 342 NH1 ARG A 49 13.207 -2.103 69.417 1.00 45.89 N ATOM 343 NH2 ARG A 49 12.934 -0.560 67.742 1.00 47.94 N ATOM 0 H ARG A 49 17.697 0.386 64.431 1.00 22.91 H new ATOM 0 HA ARG A 49 17.612 -2.040 65.575 1.00 22.25 H new ATOM 0 HB2 ARG A 49 15.577 -0.066 65.438 1.00 24.12 H new ATOM 0 HB3 ARG A 49 15.382 -1.427 66.174 1.00 24.12 H new ATOM 0 HG2 ARG A 49 17.157 -0.831 67.664 1.00 28.17 H new ATOM 0 HG3 ARG A 49 17.243 0.560 66.966 1.00 28.17 H new ATOM 0 HD2 ARG A 49 15.986 1.012 68.753 1.00 37.75 H new ATOM 0 HD3 ARG A 49 14.913 0.862 67.631 1.00 37.75 H new ATOM 0 HE ARG A 49 15.391 -1.066 69.524 1.00 44.27 H new ATOM 0 HH11 ARG A 49 13.690 -2.462 70.031 1.00 45.89 H new ATOM 0 HH12 ARG A 49 12.405 -2.383 69.281 1.00 45.89 H new ATOM 0 HH21 ARG A 49 13.242 0.086 67.266 1.00 47.94 H new ATOM 0 HH22 ARG A 49 12.133 -0.846 67.612 1.00 47.94 H new ATOM 344 N ILE A 50 16.470 -3.482 64.079 1.00 20.08 N ATOM 345 CA ILE A 50 15.923 -4.408 63.096 1.00 18.97 C ATOM 346 C ILE A 50 14.864 -5.300 63.754 1.00 19.07 C ATOM 347 O ILE A 50 14.722 -5.327 64.978 1.00 19.19 O ATOM 348 CB ILE A 50 17.036 -5.311 62.481 1.00 17.16 C ATOM 349 CG1 ILE A 50 17.601 -6.262 63.544 1.00 16.53 C ATOM 350 CG2 ILE A 50 18.141 -4.449 61.907 1.00 15.81 C ATOM 351 CD1 ILE A 50 18.402 -7.423 62.980 1.00 14.23 C ATOM 0 H ILE A 50 16.764 -3.866 64.790 1.00 20.08 H new ATOM 0 HA ILE A 50 15.524 -3.882 62.385 1.00 18.97 H new ATOM 0 HB ILE A 50 16.649 -5.843 61.768 1.00 17.16 H new ATOM 0 HG12 ILE A 50 18.166 -5.756 64.148 1.00 16.53 H new ATOM 0 HG13 ILE A 50 16.867 -6.615 64.071 1.00 16.53 H new ATOM 0 HG21 ILE A 50 18.830 -5.016 61.526 1.00 15.81 H new ATOM 0 HG22 ILE A 50 17.777 -3.874 61.215 1.00 15.81 H new ATOM 0 HG23 ILE A 50 18.525 -3.903 62.611 1.00 15.81 H new ATOM 0 HD11 ILE A 50 18.725 -7.977 63.708 1.00 14.23 H new ATOM 0 HD12 ILE A 50 17.837 -7.953 62.396 1.00 14.23 H new ATOM 0 HD13 ILE A 50 19.156 -7.081 62.475 1.00 14.23 H new ATOM 352 N CYS A 51 14.082 -5.978 62.927 1.00 18.51 N ATOM 353 CA CYS A 51 13.375 -7.168 63.355 1.00 15.97 C ATOM 354 C CYS A 51 14.409 -8.271 63.489 1.00 16.42 C ATOM 355 O CYS A 51 15.106 -8.594 62.523 1.00 15.13 O ATOM 356 CB CYS A 51 12.351 -7.568 62.307 1.00 16.52 C ATOM 357 SG CYS A 51 11.471 -9.061 62.822 1.00 18.59 S ATOM 0 H CYS A 51 13.948 -5.761 62.106 1.00 18.51 H new ATOM 0 HA CYS A 51 12.913 -7.010 64.193 1.00 15.97 H new ATOM 0 HB2 CYS A 51 11.720 -6.844 62.171 1.00 16.52 H new ATOM 0 HB3 CYS A 51 12.793 -7.723 61.457 1.00 16.52 H new ATOM 358 N GLN A 52 14.538 -8.817 64.692 1.00 16.10 N ATOM 359 CA GLN A 52 15.601 -9.781 64.986 1.00 15.84 C ATOM 360 C GLN A 52 15.187 -11.222 64.713 1.00 16.04 C ATOM 361 O GLN A 52 15.995 -12.121 64.873 1.00 18.33 O ATOM 362 CB GLN A 52 16.046 -9.665 66.448 1.00 15.57 C ATOM 363 CG GLN A 52 16.768 -8.366 66.781 1.00 17.31 C ATOM 364 CD GLN A 52 17.144 -8.256 68.236 1.00 17.59 C ATOM 365 OE1 GLN A 52 16.341 -8.848 69.093 1.00 21.36 O flip ATOM 366 NE2 GLN A 52 18.140 -7.633 68.587 1.00 18.96 N flip ATOM 0 H GLN A 52 14.020 -8.644 65.357 1.00 16.10 H new ATOM 0 HA GLN A 52 16.334 -9.561 64.390 1.00 15.84 H new ATOM 0 HB2 GLN A 52 15.267 -9.746 67.020 1.00 15.57 H new ATOM 0 HB3 GLN A 52 16.630 -10.411 66.658 1.00 15.57 H new ATOM 0 HG2 GLN A 52 17.570 -8.300 66.239 1.00 17.31 H new ATOM 0 HG3 GLN A 52 16.201 -7.616 66.541 1.00 17.31 H new ATOM 0 HE21 GLN A 52 18.643 -7.258 67.998 1.00 18.96 H new ATOM 0 HE22 GLN A 52 18.336 -7.571 69.422 1.00 18.96 H new ATOM 367 N ASP A 53 13.932 -11.445 64.334 1.00 16.12 N ATOM 368 CA ASP A 53 13.415 -12.801 64.130 1.00 14.41 C ATOM 369 C ASP A 53 14.176 -13.556 63.051 1.00 16.60 C ATOM 370 O ASP A 53 14.416 -13.037 61.964 1.00 17.04 O ATOM 371 CB ASP A 53 11.941 -12.772 63.732 1.00 14.05 C ATOM 372 CG ASP A 53 11.037 -12.230 64.823 1.00 17.47 C ATOM 373 OD1 ASP A 53 11.526 -11.925 65.927 1.00 19.20 O ATOM 374 OD2 ASP A 53 9.816 -12.116 64.571 1.00 18.74 O ATOM 0 H ASP A 53 13.358 -10.822 64.188 1.00 16.12 H new ATOM 0 HA ASP A 53 13.529 -13.258 64.978 1.00 14.41 H new ATOM 0 HB2 ASP A 53 11.838 -12.228 62.935 1.00 14.05 H new ATOM 0 HB3 ASP A 53 11.657 -13.670 63.501 1.00 14.05 H new ATOM 375 N GLN A 54 14.521 -14.802 63.345 1.00 15.39 N ATOM 376 CA GLN A 54 15.004 -15.708 62.323 1.00 14.28 C ATOM 377 C GLN A 54 13.818 -16.444 61.696 1.00 16.58 C ATOM 378 O GLN A 54 12.888 -16.865 62.393 1.00 20.82 O ATOM 379 CB GLN A 54 15.971 -16.701 62.935 1.00 15.82 C ATOM 380 CG GLN A 54 16.565 -17.661 61.944 1.00 16.88 C ATOM 381 CD GLN A 54 17.727 -18.428 62.536 1.00 21.01 C ATOM 382 OE1 GLN A 54 17.537 -19.389 63.285 1.00 27.78 O ATOM 383 NE2 GLN A 54 18.939 -17.995 62.223 1.00 22.23 N ATOM 0 H GLN A 54 14.481 -15.141 64.134 1.00 15.39 H new ATOM 0 HA GLN A 54 15.467 -15.205 61.635 1.00 14.28 H new ATOM 0 HB2 GLN A 54 16.688 -16.214 63.371 1.00 15.82 H new ATOM 0 HB3 GLN A 54 15.511 -17.205 63.624 1.00 15.82 H new ATOM 0 HG2 GLN A 54 15.883 -18.284 61.648 1.00 16.88 H new ATOM 0 HG3 GLN A 54 16.864 -17.174 61.160 1.00 16.88 H new ATOM 0 HE21 GLN A 54 19.032 -17.321 61.697 1.00 22.23 H new ATOM 0 HE22 GLN A 54 19.633 -18.388 62.546 1.00 22.23 H new ATOM 384 N TYR A 55 13.817 -16.537 60.372 1.00 16.96 N ATOM 385 CA TYR A 55 12.734 -17.174 59.644 1.00 16.84 C ATOM 386 C TYR A 55 13.268 -18.306 58.770 1.00 17.77 C ATOM 387 O TYR A 55 14.319 -18.181 58.137 1.00 20.55 O ATOM 388 CB TYR A 55 12.025 -16.137 58.790 1.00 14.11 C ATOM 389 CG TYR A 55 10.899 -16.683 57.966 1.00 16.68 C ATOM 390 CD1 TYR A 55 9.705 -17.080 58.560 1.00 17.80 C ATOM 391 CD2 TYR A 55 11.012 -16.781 56.580 1.00 16.64 C ATOM 392 CE1 TYR A 55 8.645 -17.562 57.792 1.00 18.34 C ATOM 393 CE2 TYR A 55 9.955 -17.265 55.804 1.00 18.79 C ATOM 394 CZ TYR A 55 8.781 -17.648 56.420 1.00 19.13 C ATOM 395 OH TYR A 55 7.731 -18.089 55.662 1.00 21.13 O ATOM 0 H TYR A 55 14.446 -16.231 59.872 1.00 16.96 H new ATOM 0 HA TYR A 55 12.105 -17.554 60.277 1.00 16.84 H new ATOM 0 HB2 TYR A 55 11.680 -15.438 59.368 1.00 14.11 H new ATOM 0 HB3 TYR A 55 12.673 -15.722 58.199 1.00 14.11 H new ATOM 0 HD1 TYR A 55 9.612 -17.023 59.484 1.00 17.80 H new ATOM 0 HD2 TYR A 55 11.803 -16.520 56.165 1.00 16.64 H new ATOM 0 HE1 TYR A 55 7.852 -17.824 58.201 1.00 18.34 H new ATOM 0 HE2 TYR A 55 10.042 -17.328 54.880 1.00 18.79 H new ATOM 0 HH TYR A 55 7.951 -18.090 54.851 1.00 21.13 H new ATOM 396 N VAL A 56 12.584 -19.442 58.808 1.00 18.41 N ATOM 397 CA VAL A 56 12.889 -20.543 57.902 1.00 16.82 C ATOM 398 C VAL A 56 11.834 -20.606 56.808 1.00 17.37 C ATOM 399 O VAL A 56 10.646 -20.762 57.087 1.00 18.39 O ATOM 400 CB VAL A 56 12.943 -21.887 58.652 1.00 17.59 C ATOM 401 CG1 VAL A 56 13.337 -22.998 57.692 1.00 15.64 C ATOM 402 CG2 VAL A 56 13.935 -21.800 59.793 1.00 14.05 C ATOM 0 H VAL A 56 11.937 -19.597 59.353 1.00 18.41 H new ATOM 0 HA VAL A 56 13.762 -20.383 57.510 1.00 16.82 H new ATOM 0 HB VAL A 56 12.066 -22.086 59.016 1.00 17.59 H new ATOM 0 HG11 VAL A 56 13.370 -23.842 58.169 1.00 15.64 H new ATOM 0 HG12 VAL A 56 12.683 -23.056 56.978 1.00 15.64 H new ATOM 0 HG13 VAL A 56 14.210 -22.806 57.316 1.00 15.64 H new ATOM 0 HG21 VAL A 56 13.965 -22.649 60.262 1.00 14.05 H new ATOM 0 HG22 VAL A 56 14.815 -21.594 59.442 1.00 14.05 H new ATOM 0 HG23 VAL A 56 13.661 -21.101 60.408 1.00 14.05 H new ATOM 403 N GLY A 57 12.270 -20.383 55.576 1.00 17.09 N ATOM 404 CA GLY A 57 11.358 -20.281 54.454 1.00 18.98 C ATOM 405 C GLY A 57 11.869 -19.237 53.485 1.00 22.28 C ATOM 406 O GLY A 57 12.924 -18.636 53.703 1.00 22.20 O ATOM 0 H GLY A 57 13.099 -20.287 55.370 1.00 17.09 H new ATOM 0 HA2 GLY A 57 11.280 -21.139 54.009 1.00 18.98 H new ATOM 0 HA3 GLY A 57 10.471 -20.041 54.766 1.00 18.98 H new ATOM 407 N ASP A 58 11.135 -19.022 52.401 1.00 24.38 N ATOM 408 CA ASP A 58 11.546 -18.052 51.391 1.00 26.07 C ATOM 409 C ASP A 58 11.367 -16.637 51.937 1.00 23.35 C ATOM 410 O ASP A 58 10.359 -16.342 52.588 1.00 23.27 O ATOM 411 CB ASP A 58 10.718 -18.248 50.115 1.00 32.05 C ATOM 412 CG ASP A 58 11.213 -17.399 48.957 1.00 37.68 C ATOM 413 OD1 ASP A 58 10.658 -16.296 48.762 1.00 36.05 O ATOM 414 OD2 ASP A 58 12.149 -17.837 48.245 1.00 42.21 O ATOM 0 H ASP A 58 10.396 -19.426 52.230 1.00 24.38 H new ATOM 0 HA ASP A 58 12.482 -18.186 51.174 1.00 26.07 H new ATOM 0 HB2 ASP A 58 10.743 -19.183 49.859 1.00 32.05 H new ATOM 0 HB3 ASP A 58 9.791 -18.028 50.299 1.00 32.05 H new ATOM 415 N PRO A 59 12.389 -15.774 51.766 1.00 20.90 N ATOM 416 CA PRO A 59 12.395 -14.443 52.377 1.00 19.43 C ATOM 417 C PRO A 59 11.368 -13.495 51.773 1.00 20.92 C ATOM 418 O PRO A 59 11.055 -12.465 52.364 1.00 26.05 O ATOM 419 CB PRO A 59 13.824 -13.957 52.147 1.00 17.80 C ATOM 420 CG PRO A 59 14.249 -14.655 50.924 1.00 19.69 C ATOM 421 CD PRO A 59 13.654 -16.032 51.059 1.00 18.43 C ATOM 0 HA PRO A 59 12.145 -14.474 53.314 1.00 19.43 H new ATOM 0 HB2 PRO A 59 13.857 -12.994 52.035 1.00 17.80 H new ATOM 0 HB3 PRO A 59 14.398 -14.176 52.898 1.00 17.80 H new ATOM 0 HG2 PRO A 59 13.925 -14.205 50.128 1.00 19.69 H new ATOM 0 HG3 PRO A 59 15.216 -14.692 50.855 1.00 19.69 H new ATOM 0 HD2 PRO A 59 13.505 -16.446 50.194 1.00 18.43 H new ATOM 0 HD3 PRO A 59 14.233 -16.626 51.562 1.00 18.43 H new ATOM 422 N GLY A 60 10.805 -13.863 50.628 1.00 19.25 N ATOM 423 CA GLY A 60 9.763 -13.046 50.035 1.00 20.79 C ATOM 424 C GLY A 60 10.326 -11.922 49.180 1.00 22.86 C ATOM 425 O GLY A 60 11.511 -11.947 48.841 1.00 22.70 O ATOM 0 H GLY A 60 11.010 -14.572 50.186 1.00 19.25 H new ATOM 0 HA2 GLY A 60 9.187 -13.605 49.491 1.00 20.79 H new ATOM 0 HA3 GLY A 60 9.211 -12.669 50.738 1.00 20.79 H new ATOM 426 N PRO A 61 9.495 -10.943 48.776 1.00 22.21 N ATOM 427 CA PRO A 61 9.903 -9.928 47.798 1.00 21.60 C ATOM 428 C PRO A 61 10.805 -8.869 48.427 1.00 19.95 C ATOM 429 O PRO A 61 10.875 -8.756 49.647 1.00 19.03 O ATOM 430 CB PRO A 61 8.574 -9.338 47.346 1.00 18.96 C ATOM 431 CG PRO A 61 7.727 -9.407 48.572 1.00 22.43 C ATOM 432 CD PRO A 61 8.105 -10.726 49.226 1.00 24.14 C ATOM 0 HA PRO A 61 10.427 -10.292 47.067 1.00 21.60 H new ATOM 0 HB2 PRO A 61 8.676 -8.425 47.033 1.00 18.96 H new ATOM 0 HB3 PRO A 61 8.187 -9.846 46.616 1.00 18.96 H new ATOM 0 HG2 PRO A 61 7.900 -8.658 49.163 1.00 22.43 H new ATOM 0 HG3 PRO A 61 6.783 -9.381 48.350 1.00 22.43 H new ATOM 0 HD2 PRO A 61 8.046 -10.676 50.193 1.00 24.14 H new ATOM 0 HD3 PRO A 61 7.520 -11.446 48.943 1.00 24.14 H new ATOM 433 N ILE A 62 11.507 -8.106 47.597 1.00 20.50 N ATOM 434 CA ILE A 62 12.180 -6.911 48.085 1.00 19.87 C ATOM 435 C ILE A 62 11.168 -5.791 48.312 1.00 19.11 C ATOM 436 O ILE A 62 10.029 -5.882 47.861 1.00 20.95 O ATOM 437 CB ILE A 62 13.265 -6.433 47.105 1.00 18.18 C ATOM 438 CG1 ILE A 62 12.654 -6.135 45.737 1.00 19.12 C ATOM 439 CG2 ILE A 62 14.371 -7.477 47.017 1.00 19.61 C ATOM 440 CD1 ILE A 62 13.645 -5.545 44.740 1.00 15.43 C ATOM 0 H ILE A 62 11.605 -8.261 46.757 1.00 20.50 H new ATOM 0 HA ILE A 62 12.608 -7.139 48.925 1.00 19.87 H new ATOM 0 HB ILE A 62 13.656 -5.607 47.431 1.00 18.18 H new ATOM 0 HG12 ILE A 62 12.287 -6.954 45.370 1.00 19.12 H new ATOM 0 HG13 ILE A 62 11.914 -5.518 45.849 1.00 19.12 H new ATOM 0 HG21 ILE A 62 15.054 -7.174 46.399 1.00 19.61 H new ATOM 0 HG22 ILE A 62 14.764 -7.607 47.894 1.00 19.61 H new ATOM 0 HG23 ILE A 62 14.000 -8.316 46.702 1.00 19.61 H new ATOM 0 HD11 ILE A 62 13.196 -5.380 43.896 1.00 15.43 H new ATOM 0 HD12 ILE A 62 13.996 -4.710 45.088 1.00 15.43 H new ATOM 0 HD13 ILE A 62 14.375 -6.169 44.601 1.00 15.43 H new ATOM 441 N CYS A 63 11.559 -4.779 49.080 1.00 19.73 N ATOM 442 CA CYS A 63 10.702 -3.613 49.317 1.00 20.42 C ATOM 443 C CYS A 63 10.961 -2.502 48.301 1.00 20.06 C ATOM 444 O CYS A 63 10.022 -1.856 47.848 1.00 20.00 O ATOM 445 CB CYS A 63 10.914 -3.044 50.725 1.00 20.20 C ATOM 446 SG CYS A 63 10.674 -4.208 52.114 1.00 21.58 S ATOM 0 H CYS A 63 12.321 -4.745 49.477 1.00 19.73 H new ATOM 0 HA CYS A 63 9.788 -3.924 49.223 1.00 20.42 H new ATOM 0 HB2 CYS A 63 11.815 -2.689 50.777 1.00 20.20 H new ATOM 0 HB3 CYS A 63 10.308 -2.297 50.846 1.00 20.20 H new ATOM 447 N ARG A 64 12.232 -2.304 47.946 1.00 18.26 N ATOM 448 CA ARG A 64 12.659 -1.219 47.070 1.00 18.07 C ATOM 449 C ARG A 64 12.142 -1.382 45.641 1.00 19.23 C ATOM 450 O ARG A 64 11.861 -2.497 45.210 1.00 20.27 O ATOM 451 CB ARG A 64 14.185 -1.138 47.064 1.00 17.04 C ATOM 452 CG ARG A 64 14.877 -2.384 46.552 1.00 18.29 C ATOM 453 CD ARG A 64 16.386 -2.234 46.613 1.00 19.26 C ATOM 454 NE ARG A 64 17.066 -3.389 46.031 1.00 24.44 N ATOM 455 CZ ARG A 64 17.312 -4.521 46.682 1.00 27.17 C ATOM 456 NH1 ARG A 64 17.906 -5.531 46.061 1.00 26.29 N ATOM 457 NH2 ARG A 64 16.997 -4.631 47.966 1.00 25.73 N ATOM 0 H ARG A 64 12.878 -2.806 48.213 1.00 18.26 H new ATOM 0 HA ARG A 64 12.280 -0.397 47.419 1.00 18.07 H new ATOM 0 HB2 ARG A 64 14.456 -0.384 46.518 1.00 17.04 H new ATOM 0 HB3 ARG A 64 14.492 -0.959 47.967 1.00 17.04 H new ATOM 0 HG2 ARG A 64 14.603 -3.150 47.081 1.00 18.29 H new ATOM 0 HG3 ARG A 64 14.603 -2.558 45.638 1.00 18.29 H new ATOM 0 HD2 ARG A 64 16.651 -1.430 46.140 1.00 19.26 H new ATOM 0 HD3 ARG A 64 16.664 -2.125 47.536 1.00 19.26 H new ATOM 0 HE ARG A 64 17.324 -3.332 45.213 1.00 24.44 H new ATOM 0 HH11 ARG A 64 18.133 -5.454 45.235 1.00 26.29 H new ATOM 0 HH12 ARG A 64 18.064 -6.263 46.484 1.00 26.29 H new ATOM 0 HH21 ARG A 64 16.633 -3.969 48.378 1.00 25.73 H new ATOM 0 HH22 ARG A 64 17.157 -5.364 48.387 1.00 25.73 H new ATOM 458 N PRO A 65 12.126 -0.286 44.851 1.00 20.81 N ATOM 459 CA PRO A 65 11.591 -0.253 43.475 1.00 19.52 C ATOM 460 C PRO A 65 12.464 -0.868 42.357 1.00 18.89 C ATOM 461 O PRO A 65 12.055 -0.886 41.198 1.00 17.89 O ATOM 462 CB PRO A 65 11.356 1.243 43.211 1.00 19.53 C ATOM 463 CG PRO A 65 11.572 1.932 44.524 1.00 19.89 C ATOM 464 CD PRO A 65 12.491 1.064 45.311 1.00 20.48 C ATOM 0 HA PRO A 65 10.802 -0.816 43.437 1.00 19.52 H new ATOM 0 HB2 PRO A 65 11.969 1.578 42.538 1.00 19.53 H new ATOM 0 HB3 PRO A 65 10.458 1.400 42.880 1.00 19.53 H new ATOM 0 HG2 PRO A 65 11.957 2.813 44.393 1.00 19.89 H new ATOM 0 HG3 PRO A 65 10.731 2.057 44.991 1.00 19.89 H new ATOM 0 HD2 PRO A 65 13.422 1.267 45.131 1.00 20.48 H new ATOM 0 HD3 PRO A 65 12.357 1.169 46.266 1.00 20.48 H new ATOM 465 N TRP A 66 13.698 -1.250 42.680 1.00 16.80 N ATOM 466 CA TRP A 66 14.642 -1.766 41.691 1.00 18.17 C ATOM 467 C TRP A 66 15.399 -2.925 42.318 1.00 21.72 C ATOM 468 O TRP A 66 15.885 -2.790 43.440 1.00 21.41 O ATOM 469 CB TRP A 66 15.667 -0.694 41.294 1.00 16.35 C ATOM 470 CG TRP A 66 15.268 0.702 41.599 1.00 18.40 C ATOM 471 CD1 TRP A 66 14.509 1.520 40.821 1.00 19.49 C ATOM 472 CD2 TRP A 66 15.558 1.437 42.793 1.00 20.39 C ATOM 473 NE1 TRP A 66 14.301 2.718 41.454 1.00 21.37 N ATOM 474 CE2 TRP A 66 14.940 2.700 42.662 1.00 20.75 C ATOM 475 CE3 TRP A 66 16.259 1.143 43.968 1.00 19.61 C ATOM 476 CZ2 TRP A 66 15.008 3.677 43.658 1.00 20.43 C ATOM 477 CZ3 TRP A 66 16.320 2.112 44.967 1.00 22.83 C ATOM 478 CH2 TRP A 66 15.699 3.366 44.801 1.00 22.02 C ATOM 0 H TRP A 66 14.012 -1.217 43.480 1.00 16.80 H new ATOM 0 HA TRP A 66 14.149 -2.040 40.902 1.00 18.17 H new ATOM 0 HB2 TRP A 66 16.504 -0.883 41.747 1.00 16.35 H new ATOM 0 HB3 TRP A 66 15.837 -0.766 40.342 1.00 16.35 H new ATOM 0 HD1 TRP A 66 14.179 1.298 39.980 1.00 19.49 H new ATOM 0 HE1 TRP A 66 13.842 3.375 41.141 1.00 21.37 H new ATOM 0 HE3 TRP A 66 16.675 0.319 44.079 1.00 19.61 H new ATOM 0 HZ2 TRP A 66 14.601 4.506 43.550 1.00 20.43 H new ATOM 0 HZ3 TRP A 66 16.778 1.928 45.756 1.00 22.83 H new ATOM 0 HH2 TRP A 66 15.759 3.997 45.482 1.00 22.02 H new ATOM 479 N GLU A 67 15.615 -4.002 41.559 1.00 23.69 N ATOM 480 CA GLU A 67 16.411 -5.136 42.043 1.00 27.02 C ATOM 481 C GLU A 67 17.829 -4.678 42.370 1.00 24.58 C ATOM 482 O GLU A 67 18.423 -5.066 43.384 1.00 23.34 O ATOM 483 CB GLU A 67 16.471 -6.250 40.985 1.00 32.71 C ATOM 484 CG GLU A 67 15.552 -7.454 41.248 1.00 44.46 C ATOM 485 CD GLU A 67 15.888 -8.232 42.534 1.00 52.60 C ATOM 486 OE1 GLU A 67 17.084 -8.361 42.897 1.00 55.50 O ATOM 487 OE2 GLU A 67 14.938 -8.748 43.170 1.00 57.29 O ATOM 0 H GLU A 67 15.310 -4.097 40.761 1.00 23.69 H new ATOM 0 HA GLU A 67 15.987 -5.483 42.843 1.00 27.02 H new ATOM 0 HB2 GLU A 67 16.243 -5.870 40.122 1.00 32.71 H new ATOM 0 HB3 GLU A 67 17.385 -6.567 40.922 1.00 32.71 H new ATOM 0 HG2 GLU A 67 14.635 -7.143 41.300 1.00 44.46 H new ATOM 0 HG3 GLU A 67 15.604 -8.060 40.492 1.00 44.46 H new ATOM 488 N CYS A 68 18.398 -3.916 41.451 1.00 23.48 N ATOM 489 CA CYS A 68 19.704 -3.321 41.663 1.00 21.08 C ATOM 490 C CYS A 68 19.706 -1.989 40.933 1.00 20.07 C ATOM 491 O CYS A 68 18.730 -1.629 40.277 1.00 17.44 O ATOM 492 CB CYS A 68 20.805 -4.228 41.106 1.00 20.65 C ATOM 493 SG CYS A 68 20.556 -4.717 39.372 1.00 23.02 S ATOM 0 H CYS A 68 18.041 -3.730 40.691 1.00 23.48 H new ATOM 0 HA CYS A 68 19.876 -3.201 42.610 1.00 21.08 H new ATOM 0 HB2 CYS A 68 21.657 -3.772 41.184 1.00 20.65 H new ATOM 0 HB3 CYS A 68 20.860 -5.027 41.653 1.00 20.65 H new ATOM 494 N CYS A 69 20.808 -1.262 41.042 1.00 20.25 N ATOM 495 CA CYS A 69 20.916 0.001 40.357 1.00 20.91 C ATOM 496 C CYS A 69 22.363 0.381 40.144 1.00 20.00 C ATOM 497 O CYS A 69 23.151 0.418 41.086 1.00 22.11 O ATOM 498 CB CYS A 69 20.192 1.075 41.159 1.00 21.58 C ATOM 499 SG CYS A 69 20.125 2.648 40.280 1.00 29.10 S ATOM 0 H CYS A 69 21.497 -1.485 41.506 1.00 20.25 H new ATOM 0 HA CYS A 69 20.503 -0.080 39.483 1.00 20.91 H new ATOM 0 HB2 CYS A 69 19.290 0.777 41.356 1.00 21.58 H new ATOM 0 HB3 CYS A 69 20.641 1.200 42.009 1.00 21.58 H new ATOM 500 N ASP A 70 22.721 0.614 38.888 1.00 20.71 N ATOM 501 CA ASP A 70 24.042 1.125 38.562 1.00 24.16 C ATOM 502 C ASP A 70 24.127 2.647 38.629 1.00 24.79 C ATOM 503 O ASP A 70 25.187 3.197 38.921 1.00 28.02 O ATOM 504 CB ASP A 70 24.473 0.645 37.175 1.00 26.22 C ATOM 505 CG ASP A 70 25.028 -0.771 37.189 1.00 27.13 C ATOM 506 OD1 ASP A 70 24.891 -1.473 36.167 1.00 31.87 O ATOM 507 OD2 ASP A 70 25.590 -1.191 38.220 1.00 30.03 O ATOM 0 H ASP A 70 22.211 0.482 38.208 1.00 20.71 H new ATOM 0 HA ASP A 70 24.645 0.774 39.236 1.00 24.16 H new ATOM 0 HB2 ASP A 70 23.713 0.685 36.573 1.00 26.22 H new ATOM 0 HB3 ASP A 70 25.146 1.248 36.823 1.00 26.22 H new ATOM 508 N LYS A 71 23.014 3.325 38.367 1.00 22.11 N ATOM 509 CA LYS A 71 22.994 4.787 38.368 1.00 22.01 C ATOM 510 C LYS A 71 22.104 5.334 39.478 1.00 19.97 C ATOM 511 O LYS A 71 21.070 5.943 39.212 1.00 20.02 O ATOM 512 CB LYS A 71 22.528 5.300 37.004 1.00 24.51 C ATOM 513 CG LYS A 71 23.469 4.906 35.884 1.00 29.24 C ATOM 514 CD LYS A 71 22.931 5.253 34.519 1.00 32.47 C ATOM 515 CE LYS A 71 23.801 4.633 33.440 1.00 35.18 C ATOM 516 NZ LYS A 71 23.777 5.450 32.211 1.00 35.89 N ATOM 0 H LYS A 71 22.258 2.958 38.186 1.00 22.11 H new ATOM 0 HA LYS A 71 23.896 5.102 38.537 1.00 22.01 H new ATOM 0 HB2 LYS A 71 21.642 4.952 36.816 1.00 24.51 H new ATOM 0 HB3 LYS A 71 22.452 6.267 37.034 1.00 24.51 H new ATOM 0 HG2 LYS A 71 24.322 5.349 36.013 1.00 29.24 H new ATOM 0 HG3 LYS A 71 23.636 3.951 35.928 1.00 29.24 H new ATOM 0 HD2 LYS A 71 22.019 4.933 34.432 1.00 32.47 H new ATOM 0 HD3 LYS A 71 22.905 6.216 34.409 1.00 32.47 H new ATOM 0 HE2 LYS A 71 24.713 4.552 33.761 1.00 35.18 H new ATOM 0 HE3 LYS A 71 23.489 3.736 33.243 1.00 35.18 H new ATOM 0 HZ1 LYS A 71 24.170 5.003 31.549 1.00 35.89 H new ATOM 0 HZ2 LYS A 71 22.934 5.628 31.989 1.00 35.89 H new ATOM 0 HZ3 LYS A 71 24.213 6.213 32.353 1.00 35.89 H new ATOM 517 N ALA A 72 22.504 5.071 40.721 1.00 17.54 N ATOM 518 CA ALA A 72 21.767 5.500 41.898 1.00 18.47 C ATOM 519 C ALA A 72 22.132 6.944 42.240 1.00 20.49 C ATOM 520 O ALA A 72 23.298 7.338 42.162 1.00 22.45 O ATOM 521 CB ALA A 72 22.087 4.571 43.083 1.00 14.97 C ATOM 0 H ALA A 72 23.221 4.632 40.902 1.00 17.54 H new ATOM 0 HA ALA A 72 20.816 5.454 41.715 1.00 18.47 H new ATOM 0 HB1 ALA A 72 21.593 4.862 43.865 1.00 14.97 H new ATOM 0 HB2 ALA A 72 21.832 3.662 42.860 1.00 14.97 H new ATOM 0 HB3 ALA A 72 23.038 4.603 43.272 1.00 14.97 H new ATOM 522 N ILE A 73 21.122 7.743 42.559 1.00 19.64 N ATOM 523 CA ILE A 73 21.326 9.121 42.996 1.00 18.81 C ATOM 524 C ILE A 73 20.665 9.315 44.362 1.00 18.49 C ATOM 525 O ILE A 73 19.436 9.243 44.487 1.00 18.42 O ATOM 526 CB ILE A 73 20.717 10.097 41.985 1.00 17.87 C ATOM 527 CG1 ILE A 73 21.399 9.928 40.639 1.00 18.61 C ATOM 528 CG2 ILE A 73 20.893 11.514 42.452 1.00 20.58 C ATOM 529 CD1 ILE A 73 20.505 10.266 39.511 1.00 20.90 C ATOM 0 H ILE A 73 20.297 7.503 42.529 1.00 19.64 H new ATOM 0 HA ILE A 73 22.278 9.297 43.061 1.00 18.81 H new ATOM 0 HB ILE A 73 19.770 9.906 41.902 1.00 17.87 H new ATOM 0 HG12 ILE A 73 22.187 10.493 40.605 1.00 18.61 H new ATOM 0 HG13 ILE A 73 21.702 9.011 40.545 1.00 18.61 H new ATOM 0 HG21 ILE A 73 20.503 12.120 41.803 1.00 20.58 H new ATOM 0 HG22 ILE A 73 20.451 11.630 43.308 1.00 20.58 H new ATOM 0 HG23 ILE A 73 21.839 11.708 42.548 1.00 20.58 H new ATOM 0 HD11 ILE A 73 20.980 10.144 38.674 1.00 20.90 H new ATOM 0 HD12 ILE A 73 19.728 9.686 39.529 1.00 20.90 H new ATOM 0 HD13 ILE A 73 20.220 11.190 39.589 1.00 20.90 H new ATOM 530 N CYS A 74 21.490 9.446 45.396 1.00 17.81 N ATOM 531 CA CYS A 74 21.000 9.433 46.775 1.00 19.52 C ATOM 532 C CYS A 74 21.338 10.706 47.553 1.00 18.95 C ATOM 533 O CYS A 74 22.318 11.398 47.252 1.00 20.00 O ATOM 534 CB CYS A 74 21.562 8.214 47.524 1.00 17.92 C ATOM 535 SG CYS A 74 21.316 6.643 46.639 1.00 20.17 S ATOM 0 H CYS A 74 22.341 9.544 45.322 1.00 17.81 H new ATOM 0 HA CYS A 74 20.033 9.383 46.719 1.00 19.52 H new ATOM 0 HB2 CYS A 74 22.511 8.346 47.677 1.00 17.92 H new ATOM 0 HB3 CYS A 74 21.140 8.156 48.395 1.00 17.92 H new ATOM 536 N THR A 75 20.524 11.003 48.564 1.00 16.35 N ATOM 537 CA THR A 75 20.840 12.075 49.502 1.00 19.30 C ATOM 538 C THR A 75 21.845 11.587 50.552 1.00 22.85 C ATOM 539 O THR A 75 22.263 10.420 50.528 1.00 21.63 O ATOM 540 CB THR A 75 19.570 12.602 50.197 1.00 18.35 C ATOM 541 OG1 THR A 75 19.058 11.601 51.084 1.00 21.23 O ATOM 542 CG2 THR A 75 18.510 12.949 49.166 1.00 15.92 C ATOM 0 H THR A 75 19.784 10.595 48.723 1.00 16.35 H new ATOM 0 HA THR A 75 21.235 12.803 48.997 1.00 19.30 H new ATOM 0 HB THR A 75 19.797 13.401 50.699 1.00 18.35 H new ATOM 0 HG1 THR A 75 18.367 11.890 51.464 1.00 21.23 H new ATOM 0 HG21 THR A 75 17.717 13.279 49.616 1.00 15.92 H new ATOM 0 HG22 THR A 75 18.851 13.633 48.569 1.00 15.92 H new ATOM 0 HG23 THR A 75 18.285 12.157 48.654 1.00 15.92 H new ATOM 543 N ARG A 76 22.252 12.482 51.452 1.00 24.34 N ATOM 544 CA ARG A 76 23.325 12.181 52.393 1.00 27.17 C ATOM 545 C ARG A 76 22.859 11.499 53.676 1.00 26.58 C ATOM 546 O ARG A 76 23.686 11.107 54.499 1.00 29.68 O ATOM 547 CB ARG A 76 24.106 13.449 52.752 1.00 32.64 C ATOM 548 CG ARG A 76 24.343 14.400 51.593 1.00 47.59 C ATOM 549 CD ARG A 76 25.142 13.775 50.429 1.00 60.14 C ATOM 550 NE ARG A 76 24.616 14.195 49.120 1.00 70.22 N ATOM 551 CZ ARG A 76 24.813 15.391 48.555 1.00 72.51 C ATOM 552 NH1 ARG A 76 24.122 15.725 47.474 1.00 73.56 N ATOM 553 NH2 ARG A 76 25.759 16.215 48.998 1.00 74.14 N ATOM 0 H ARG A 76 21.918 13.270 51.532 1.00 24.34 H new ATOM 0 HA ARG A 76 23.897 11.549 51.930 1.00 27.17 H new ATOM 0 HB2 ARG A 76 23.626 13.923 53.450 1.00 32.64 H new ATOM 0 HB3 ARG A 76 24.964 13.191 53.123 1.00 32.64 H new ATOM 0 HG2 ARG A 76 23.486 14.708 51.258 1.00 47.59 H new ATOM 0 HG3 ARG A 76 24.818 15.181 51.918 1.00 47.59 H new ATOM 0 HD2 ARG A 76 26.074 14.033 50.501 1.00 60.14 H new ATOM 0 HD3 ARG A 76 25.109 12.808 50.496 1.00 60.14 H new ATOM 0 HE ARG A 76 24.143 13.625 48.683 1.00 70.22 H new ATOM 0 HH11 ARG A 76 23.552 15.174 47.141 1.00 73.56 H new ATOM 0 HH12 ARG A 76 24.244 16.493 47.106 1.00 73.56 H new ATOM 0 HH21 ARG A 76 26.257 15.982 49.659 1.00 74.14 H new ATOM 0 HH22 ARG A 76 25.872 16.981 48.623 1.00 74.14 H new ATOM 554 N SER A 77 21.552 11.341 53.862 1.00 23.84 N ATOM 555 CA SER A 77 21.072 10.719 55.090 1.00 24.66 C ATOM 556 C SER A 77 21.390 9.228 55.149 1.00 24.39 C ATOM 557 O SER A 77 21.776 8.625 54.149 1.00 22.47 O ATOM 558 CB SER A 77 19.568 10.955 55.283 1.00 24.64 C ATOM 559 OG SER A 77 18.790 10.308 54.299 1.00 28.10 O ATOM 0 H SER A 77 20.941 11.580 53.306 1.00 23.84 H new ATOM 0 HA SER A 77 21.548 11.146 55.819 1.00 24.66 H new ATOM 0 HB2 SER A 77 19.304 10.638 56.161 1.00 24.64 H new ATOM 0 HB3 SER A 77 19.387 11.908 55.260 1.00 24.64 H new ATOM 0 HG SER A 77 18.737 9.489 54.477 1.00 28.10 H new ATOM 560 N ASN A 78 21.368 8.675 56.356 1.00 24.58 N ATOM 561 CA ASN A 78 21.502 7.239 56.526 1.00 24.55 C ATOM 562 C ASN A 78 20.342 6.672 57.344 1.00 21.66 C ATOM 563 O ASN A 78 20.264 6.889 58.543 1.00 22.34 O ATOM 564 CB ASN A 78 22.838 6.913 57.188 1.00 28.58 C ATOM 565 CG ASN A 78 23.139 5.425 57.181 1.00 35.53 C ATOM 566 OD1 ASN A 78 22.774 4.701 56.245 1.00 37.24 O ATOM 567 ND2 ASN A 78 23.762 4.949 58.249 1.00 38.18 N ATOM 0 H ASN A 78 21.276 9.116 57.089 1.00 24.58 H new ATOM 0 HA ASN A 78 21.477 6.823 55.650 1.00 24.55 H new ATOM 0 HB2 ASN A 78 23.548 7.386 56.727 1.00 28.58 H new ATOM 0 HB3 ASN A 78 22.830 7.235 58.103 1.00 28.58 H new ATOM 0 HD21 ASN A 78 23.927 4.107 58.311 1.00 38.18 H new ATOM 0 HD22 ASN A 78 24.001 5.482 58.880 1.00 38.18 H new ATOM 568 N PRO A 79 19.394 5.979 56.689 1.00 21.55 N ATOM 569 CA PRO A 79 19.410 5.627 55.263 1.00 21.24 C ATOM 570 C PRO A 79 19.071 6.808 54.345 1.00 21.21 C ATOM 571 O PRO A 79 18.412 7.762 54.764 1.00 20.23 O ATOM 572 CB PRO A 79 18.376 4.504 55.162 1.00 19.70 C ATOM 573 CG PRO A 79 17.424 4.775 56.254 1.00 20.40 C ATOM 574 CD PRO A 79 18.181 5.479 57.361 1.00 19.81 C ATOM 0 HA PRO A 79 20.293 5.359 54.965 1.00 21.24 H new ATOM 0 HB2 PRO A 79 17.933 4.509 54.299 1.00 19.70 H new ATOM 0 HB3 PRO A 79 18.790 3.633 55.263 1.00 19.70 H new ATOM 0 HG2 PRO A 79 16.692 5.327 55.938 1.00 20.40 H new ATOM 0 HG3 PRO A 79 17.036 3.948 56.580 1.00 20.40 H new ATOM 0 HD2 PRO A 79 17.661 6.203 57.744 1.00 19.81 H new ATOM 0 HD3 PRO A 79 18.399 4.872 58.086 1.00 19.81 H new ATOM 575 N PRO A 80 19.600 6.797 53.107 1.00 20.68 N ATOM 576 CA PRO A 80 19.342 7.850 52.118 1.00 20.14 C ATOM 577 C PRO A 80 17.951 7.767 51.510 1.00 19.36 C ATOM 578 O PRO A 80 17.198 6.836 51.773 1.00 20.30 O ATOM 579 CB PRO A 80 20.411 7.598 51.057 1.00 19.08 C ATOM 580 CG PRO A 80 20.599 6.118 51.093 1.00 18.90 C ATOM 581 CD PRO A 80 20.536 5.786 52.577 1.00 19.29 C ATOM 0 HA PRO A 80 19.379 8.734 52.515 1.00 20.14 H new ATOM 0 HB2 PRO A 80 20.123 7.900 50.181 1.00 19.08 H new ATOM 0 HB3 PRO A 80 21.235 8.067 51.262 1.00 19.08 H new ATOM 0 HG2 PRO A 80 19.906 5.658 50.595 1.00 18.90 H new ATOM 0 HG3 PRO A 80 21.448 5.857 50.705 1.00 18.90 H new ATOM 0 HD2 PRO A 80 20.214 4.884 52.729 1.00 19.29 H new ATOM 0 HD3 PRO A 80 21.408 5.850 52.996 1.00 19.29 H new ATOM 582 N THR A 81 17.613 8.767 50.710 1.00 19.57 N ATOM 583 CA THR A 81 16.532 8.639 49.750 1.00 18.29 C ATOM 584 C THR A 81 17.212 8.604 48.404 1.00 18.37 C ATOM 585 O THR A 81 18.095 9.418 48.148 1.00 17.50 O ATOM 586 CB THR A 81 15.588 9.837 49.809 1.00 17.44 C ATOM 587 OG1 THR A 81 14.977 9.886 51.106 1.00 22.10 O ATOM 588 CG2 THR A 81 14.518 9.730 48.734 1.00 14.21 C ATOM 0 H THR A 81 18.002 9.534 50.709 1.00 19.57 H new ATOM 0 HA THR A 81 15.996 7.850 49.928 1.00 18.29 H new ATOM 0 HB THR A 81 16.094 10.650 49.652 1.00 17.44 H new ATOM 0 HG1 THR A 81 15.127 9.167 51.514 1.00 22.10 H new ATOM 0 HG21 THR A 81 13.928 10.498 48.786 1.00 14.21 H new ATOM 0 HG22 THR A 81 14.938 9.705 47.860 1.00 14.21 H new ATOM 0 HG23 THR A 81 14.004 8.919 48.869 1.00 14.21 H new ATOM 589 N CYS A 82 16.951 7.539 47.650 1.00 18.94 N ATOM 590 CA CYS A 82 17.606 7.306 46.367 1.00 17.16 C ATOM 591 C CYS A 82 16.568 7.270 45.259 1.00 18.28 C ATOM 592 O CYS A 82 15.405 6.924 45.479 1.00 16.22 O ATOM 593 CB CYS A 82 18.356 5.963 46.357 1.00 16.70 C ATOM 594 SG CYS A 82 19.729 5.775 47.550 1.00 20.09 S ATOM 0 H CYS A 82 16.386 6.929 47.870 1.00 18.94 H new ATOM 0 HA CYS A 82 18.238 8.028 46.227 1.00 17.16 H new ATOM 0 HB2 CYS A 82 17.713 5.256 46.523 1.00 16.70 H new ATOM 0 HB3 CYS A 82 18.709 5.821 45.465 1.00 16.70 H new ATOM 595 N ARG A 83 17.005 7.631 44.061 1.00 17.35 N ATOM 596 CA ARG A 83 16.315 7.225 42.849 1.00 18.16 C ATOM 597 C ARG A 83 17.317 6.569 41.917 1.00 17.68 C ATOM 598 O ARG A 83 18.526 6.610 42.147 1.00 17.48 O ATOM 599 CB ARG A 83 15.641 8.421 42.167 1.00 20.06 C ATOM 600 CG ARG A 83 16.575 9.515 41.733 1.00 21.44 C ATOM 601 CD ARG A 83 15.758 10.710 41.295 1.00 27.93 C ATOM 602 NE ARG A 83 16.408 11.453 40.218 1.00 27.20 N ATOM 603 CZ ARG A 83 17.165 12.520 40.426 1.00 27.20 C ATOM 604 NH1 ARG A 83 17.662 13.199 39.413 1.00 27.81 N ATOM 605 NH2 ARG A 83 17.442 12.892 41.663 1.00 32.05 N ATOM 0 H ARG A 83 17.704 8.114 43.929 1.00 17.35 H new ATOM 0 HA ARG A 83 15.615 6.593 43.075 1.00 18.16 H new ATOM 0 HB2 ARG A 83 15.156 8.102 41.390 1.00 20.06 H new ATOM 0 HB3 ARG A 83 14.986 8.796 42.776 1.00 20.06 H new ATOM 0 HG2 ARG A 83 17.165 9.761 42.462 1.00 21.44 H new ATOM 0 HG3 ARG A 83 17.137 9.207 41.005 1.00 21.44 H new ATOM 0 HD2 ARG A 83 14.884 10.412 40.999 1.00 27.93 H new ATOM 0 HD3 ARG A 83 15.616 11.299 42.053 1.00 27.93 H new ATOM 0 HE ARG A 83 16.294 11.184 39.409 1.00 27.20 H new ATOM 0 HH11 ARG A 83 17.496 12.951 38.606 1.00 27.81 H new ATOM 0 HH12 ARG A 83 18.152 13.890 39.558 1.00 27.81 H new ATOM 0 HH21 ARG A 83 17.131 12.442 42.327 1.00 32.05 H new ATOM 0 HH22 ARG A 83 17.933 13.584 41.804 1.00 32.05 H new ATOM 606 N CYS A 84 16.797 5.913 40.897 1.00 16.65 N ATOM 607 CA CYS A 84 17.617 5.130 39.998 1.00 17.03 C ATOM 608 C CYS A 84 17.288 5.482 38.556 1.00 18.60 C ATOM 609 O CYS A 84 16.142 5.306 38.124 1.00 18.73 O ATOM 610 CB CYS A 84 17.330 3.665 40.244 1.00 20.73 C ATOM 611 SG CYS A 84 18.368 2.571 39.268 1.00 30.20 S ATOM 0 H CYS A 84 15.958 5.909 40.706 1.00 16.65 H new ATOM 0 HA CYS A 84 18.555 5.319 40.157 1.00 17.03 H new ATOM 0 HB2 CYS A 84 17.458 3.469 41.185 1.00 20.73 H new ATOM 0 HB3 CYS A 84 16.399 3.485 40.041 1.00 20.73 H new ATOM 612 N VAL A 85 18.267 6.022 37.824 1.00 17.24 N ATOM 613 CA VAL A 85 18.034 6.395 36.436 1.00 18.94 C ATOM 614 C VAL A 85 18.623 5.393 35.440 1.00 20.91 C ATOM 615 O VAL A 85 18.802 5.707 34.259 1.00 24.62 O ATOM 616 CB VAL A 85 18.520 7.846 36.125 1.00 17.79 C ATOM 617 CG1 VAL A 85 17.756 8.833 36.969 1.00 19.49 C ATOM 618 CG2 VAL A 85 20.005 7.999 36.392 1.00 19.92 C ATOM 0 H VAL A 85 19.062 6.177 38.112 1.00 17.24 H new ATOM 0 HA VAL A 85 17.071 6.374 36.320 1.00 18.94 H new ATOM 0 HB VAL A 85 18.358 8.020 35.185 1.00 17.79 H new ATOM 0 HG11 VAL A 85 18.062 9.732 36.772 1.00 19.49 H new ATOM 0 HG12 VAL A 85 16.809 8.763 36.771 1.00 19.49 H new ATOM 0 HG13 VAL A 85 17.905 8.640 37.908 1.00 19.49 H new ATOM 0 HG21 VAL A 85 20.278 8.908 36.191 1.00 19.92 H new ATOM 0 HG22 VAL A 85 20.188 7.806 37.325 1.00 19.92 H new ATOM 0 HG23 VAL A 85 20.500 7.381 35.831 1.00 19.92 H new ATOM 619 N ASP A 86 18.784 4.150 35.896 1.00 19.83 N ATOM 620 CA ASP A 86 18.952 2.994 35.012 1.00 19.32 C ATOM 621 C ASP A 86 17.815 2.875 33.987 1.00 20.86 C ATOM 622 O ASP A 86 16.637 2.947 34.344 1.00 21.93 O ATOM 623 CB ASP A 86 18.999 1.701 35.838 1.00 18.85 C ATOM 624 CG ASP A 86 20.357 1.432 36.439 1.00 18.12 C ATOM 625 OD1 ASP A 86 21.253 2.283 36.338 1.00 25.42 O ATOM 626 OD2 ASP A 86 20.541 0.348 37.010 1.00 23.45 O ATOM 0 H ASP A 86 18.799 3.952 36.733 1.00 19.83 H new ATOM 0 HA ASP A 86 19.785 3.126 34.533 1.00 19.32 H new ATOM 0 HB2 ASP A 86 18.341 1.754 36.549 1.00 18.85 H new ATOM 0 HB3 ASP A 86 18.747 0.953 35.273 1.00 18.85 H new ATOM 627 N GLU A 87 18.184 2.618 32.733 1.00 21.48 N ATOM 628 CA GLU A 87 17.234 2.293 31.670 1.00 25.12 C ATOM 629 C GLU A 87 17.174 0.778 31.476 1.00 26.36 C ATOM 630 O GLU A 87 18.159 0.137 31.116 1.00 26.24 O ATOM 631 CB GLU A 87 17.630 2.991 30.367 1.00 25.76 C ATOM 632 CG GLU A 87 17.519 4.502 30.453 1.00 30.43 C ATOM 633 CD GLU A 87 18.384 5.232 29.436 1.00 34.38 C ATOM 634 OE1 GLU A 87 19.608 5.361 29.646 1.00 34.36 O ATOM 635 OE2 GLU A 87 17.832 5.728 28.440 1.00 37.43 O ATOM 0 H GLU A 87 19.004 2.628 32.473 1.00 21.48 H new ATOM 0 HA GLU A 87 16.353 2.610 31.925 1.00 25.12 H new ATOM 0 HB2 GLU A 87 18.542 2.750 30.140 1.00 25.76 H new ATOM 0 HB3 GLU A 87 17.064 2.670 29.648 1.00 25.76 H new ATOM 0 HG2 GLU A 87 16.593 4.759 30.323 1.00 30.43 H new ATOM 0 HG3 GLU A 87 17.770 4.788 31.345 1.00 30.43 H new ATOM 636 N VAL A 88 16.065 0.202 31.914 1.00 25.89 N ATOM 637 CA VAL A 88 15.938 -1.231 32.022 1.00 26.84 C ATOM 638 C VAL A 88 14.925 -1.751 31.012 1.00 30.81 C ATOM 639 O VAL A 88 14.019 -1.029 30.591 1.00 29.71 O ATOM 640 CB VAL A 88 15.508 -1.630 33.455 1.00 27.07 C ATOM 641 CG1 VAL A 88 16.580 -1.207 34.452 1.00 26.67 C ATOM 642 CG2 VAL A 88 14.175 -0.989 33.815 1.00 23.56 C ATOM 0 H VAL A 88 15.364 0.638 32.157 1.00 25.89 H new ATOM 0 HA VAL A 88 16.802 -1.629 31.833 1.00 26.84 H new ATOM 0 HB VAL A 88 15.402 -2.594 33.490 1.00 27.07 H new ATOM 0 HG11 VAL A 88 16.306 -1.459 35.348 1.00 26.67 H new ATOM 0 HG12 VAL A 88 17.417 -1.647 34.234 1.00 26.67 H new ATOM 0 HG13 VAL A 88 16.700 -0.245 34.410 1.00 26.67 H new ATOM 0 HG21 VAL A 88 13.923 -1.250 34.714 1.00 23.56 H new ATOM 0 HG22 VAL A 88 14.257 -0.024 33.770 1.00 23.56 H new ATOM 0 HG23 VAL A 88 13.494 -1.284 33.190 1.00 23.56 H new ATOM 643 N LYS A 89 15.091 -3.012 30.626 1.00 34.36 N ATOM 644 CA LYS A 89 14.152 -3.693 29.739 1.00 37.67 C ATOM 645 C LYS A 89 12.757 -3.792 30.377 1.00 37.10 C ATOM 646 O LYS A 89 11.741 -3.564 29.718 1.00 38.55 O ATOM 647 CB LYS A 89 14.690 -5.092 29.401 1.00 42.59 C ATOM 648 CG LYS A 89 14.947 -5.336 27.913 1.00 52.99 C ATOM 649 CD LYS A 89 16.200 -4.616 27.401 1.00 61.16 C ATOM 650 CE LYS A 89 16.048 -4.196 25.927 1.00 65.23 C ATOM 651 NZ LYS A 89 17.173 -3.345 25.411 1.00 64.72 N ATOM 0 H LYS A 89 15.755 -3.500 30.872 1.00 34.36 H new ATOM 0 HA LYS A 89 14.065 -3.176 28.923 1.00 37.67 H new ATOM 0 HB2 LYS A 89 15.518 -5.233 29.887 1.00 42.59 H new ATOM 0 HB3 LYS A 89 14.057 -5.754 29.720 1.00 42.59 H new ATOM 0 HG2 LYS A 89 15.040 -6.289 27.757 1.00 52.99 H new ATOM 0 HG3 LYS A 89 14.177 -5.039 27.403 1.00 52.99 H new ATOM 0 HD2 LYS A 89 16.369 -3.832 27.946 1.00 61.16 H new ATOM 0 HD3 LYS A 89 16.970 -5.198 27.495 1.00 61.16 H new ATOM 0 HE2 LYS A 89 15.981 -4.994 25.379 1.00 65.23 H new ATOM 0 HE3 LYS A 89 15.215 -3.710 25.824 1.00 65.23 H new ATOM 0 HZ1 LYS A 89 17.375 -3.592 24.580 1.00 64.72 H new ATOM 0 HZ2 LYS A 89 16.925 -2.490 25.414 1.00 64.72 H new ATOM 0 HZ3 LYS A 89 17.887 -3.448 25.933 1.00 64.72 H new ATOM 652 N LYS A 90 12.724 -4.047 31.683 1.00 36.28 N ATOM 653 CA LYS A 90 11.477 -4.136 32.436 1.00 35.48 C ATOM 654 C LYS A 90 11.699 -3.608 33.857 1.00 34.21 C ATOM 655 O LYS A 90 12.722 -3.907 34.479 1.00 35.66 O ATOM 656 CB LYS A 90 11.011 -5.593 32.490 1.00 36.59 C ATOM 657 CG LYS A 90 9.649 -5.785 33.143 1.00 39.95 C ATOM 0 H LYS A 90 13.429 -4.174 32.159 1.00 36.28 H new ATOM 0 HA LYS A 90 10.796 -3.601 31.998 1.00 35.48 H new ATOM 0 HB2 LYS A 90 10.979 -5.946 31.587 1.00 36.59 H new ATOM 0 HB3 LYS A 90 11.669 -6.115 32.976 1.00 36.59 H new ATOM 658 N CYS A 91 10.773 -2.787 34.351 1.00 32.43 N ATOM 659 CA CYS A 91 10.838 -2.331 35.739 1.00 32.16 C ATOM 660 C CYS A 91 10.429 -3.447 36.698 1.00 33.67 C ATOM 661 O CYS A 91 9.535 -4.247 36.389 1.00 33.14 O ATOM 662 CB CYS A 91 9.919 -1.131 35.979 1.00 30.88 C ATOM 663 SG CYS A 91 10.362 0.419 35.137 1.00 23.09 S ATOM 0 H CYS A 91 10.104 -2.484 33.903 1.00 32.43 H new ATOM 0 HA CYS A 91 11.758 -2.071 35.905 1.00 32.16 H new ATOM 0 HB2 CYS A 91 9.021 -1.378 35.706 1.00 30.88 H new ATOM 0 HB3 CYS A 91 9.888 -0.959 36.933 1.00 30.88 H new ATOM 664 N ALA A 92 11.058 -3.463 37.875 1.00 32.41 N ATOM 665 CA ALA A 92 10.675 -4.361 38.953 1.00 30.08 C ATOM 666 C ALA A 92 9.199 -4.144 39.260 1.00 31.13 C ATOM 667 O ALA A 92 8.693 -3.031 39.118 1.00 31.11 O ATOM 668 CB ALA A 92 11.521 -4.081 40.195 1.00 28.56 C ATOM 0 H ALA A 92 11.721 -2.949 38.066 1.00 32.41 H new ATOM 0 HA ALA A 92 10.824 -5.282 38.687 1.00 30.08 H new ATOM 0 HB1 ALA A 92 11.259 -4.684 40.908 1.00 28.56 H new ATOM 0 HB2 ALA A 92 12.458 -4.217 39.986 1.00 28.56 H new ATOM 0 HB3 ALA A 92 11.383 -3.164 40.481 1.00 28.56 H new ATOM 669 N PRO A 93 8.465 -5.226 39.590 1.00 31.81 N ATOM 670 CA PRO A 93 7.057 -5.092 39.970 1.00 29.75 C ATOM 671 C PRO A 93 6.830 -4.138 41.129 1.00 28.96 C ATOM 672 O PRO A 93 5.728 -3.626 41.297 1.00 28.61 O ATOM 673 CB PRO A 93 6.642 -6.519 40.320 1.00 30.00 C ATOM 674 CG PRO A 93 7.929 -7.287 40.441 1.00 30.80 C ATOM 675 CD PRO A 93 8.847 -6.641 39.474 1.00 30.66 C ATOM 0 HA PRO A 93 6.530 -4.704 39.254 1.00 29.75 H new ATOM 0 HB2 PRO A 93 6.140 -6.544 41.150 1.00 30.00 H new ATOM 0 HB3 PRO A 93 6.072 -6.897 39.632 1.00 30.00 H new ATOM 0 HG2 PRO A 93 8.281 -7.244 41.344 1.00 30.80 H new ATOM 0 HG3 PRO A 93 7.800 -8.225 40.231 1.00 30.80 H new ATOM 0 HD2 PRO A 93 9.778 -6.786 39.704 1.00 30.66 H new ATOM 0 HD3 PRO A 93 8.722 -6.978 38.573 1.00 30.66 H new ATOM 676 N THR A 94 7.893 -3.828 41.868 1.00 28.78 N ATOM 677 CA THR A 94 7.784 -2.974 43.052 1.00 27.33 C ATOM 678 C THR A 94 7.925 -1.490 42.728 1.00 28.82 C ATOM 679 O THR A 94 7.698 -0.641 43.589 1.00 26.87 O ATOM 680 CB THR A 94 8.828 -3.357 44.107 1.00 27.58 C ATOM 681 OG1 THR A 94 10.014 -3.808 43.449 1.00 26.16 O ATOM 682 CG2 THR A 94 8.298 -4.474 45.012 1.00 23.47 C ATOM 0 H THR A 94 8.691 -4.103 41.701 1.00 28.78 H new ATOM 0 HA THR A 94 6.892 -3.121 43.402 1.00 27.33 H new ATOM 0 HB THR A 94 9.021 -2.579 44.653 1.00 27.58 H new ATOM 0 HG1 THR A 94 10.688 -3.504 43.847 1.00 26.16 H new ATOM 0 HG21 THR A 94 8.971 -4.703 45.672 1.00 23.47 H new ATOM 0 HG22 THR A 94 7.494 -4.172 45.462 1.00 23.47 H new ATOM 0 HG23 THR A 94 8.093 -5.256 44.475 1.00 23.47 H new ATOM 683 N CYS A 95 8.276 -1.189 41.477 1.00 28.43 N ATOM 684 CA CYS A 95 8.247 0.178 40.948 1.00 28.96 C ATOM 685 C CYS A 95 6.815 0.646 40.662 1.00 30.41 C ATOM 686 O CYS A 95 6.086 0.013 39.896 1.00 33.85 O ATOM 687 CB CYS A 95 9.063 0.255 39.657 1.00 24.91 C ATOM 688 SG CYS A 95 9.124 1.912 38.903 1.00 23.38 S ATOM 0 H CYS A 95 8.540 -1.776 40.907 1.00 28.43 H new ATOM 0 HA CYS A 95 8.630 0.759 41.623 1.00 28.96 H new ATOM 0 HB2 CYS A 95 9.969 -0.038 39.842 1.00 24.91 H new ATOM 0 HB3 CYS A 95 8.690 -0.368 39.014 1.00 24.91 H new ATOM 689 N LYS A 96 6.468 1.820 41.176 1.00 31.55 N ATOM 690 CA LYS A 96 5.124 2.368 41.041 1.00 35.00 C ATOM 691 C LYS A 96 4.930 3.200 39.763 1.00 33.81 C ATOM 692 O LYS A 96 3.863 3.172 39.156 1.00 35.36 O ATOM 693 CB LYS A 96 4.800 3.209 42.276 1.00 41.41 C ATOM 694 CG LYS A 96 3.453 3.918 42.248 1.00 48.47 C ATOM 695 CD LYS A 96 3.595 5.373 42.697 1.00 57.26 C ATOM 696 CE LYS A 96 4.345 5.495 44.032 1.00 60.61 C ATOM 697 NZ LYS A 96 5.298 6.650 44.039 1.00 62.48 N ATOM 0 H LYS A 96 7.009 2.324 41.615 1.00 31.55 H new ATOM 0 HA LYS A 96 4.512 1.619 40.969 1.00 35.00 H new ATOM 0 HB2 LYS A 96 4.830 2.634 43.057 1.00 41.41 H new ATOM 0 HB3 LYS A 96 5.497 3.875 42.387 1.00 41.41 H new ATOM 0 HG2 LYS A 96 3.085 3.886 41.351 1.00 48.47 H new ATOM 0 HG3 LYS A 96 2.828 3.456 42.828 1.00 48.47 H new ATOM 0 HD2 LYS A 96 4.067 5.876 42.015 1.00 57.26 H new ATOM 0 HD3 LYS A 96 2.715 5.771 42.784 1.00 57.26 H new ATOM 0 HE2 LYS A 96 3.705 5.601 44.753 1.00 60.61 H new ATOM 0 HE3 LYS A 96 4.832 4.674 44.204 1.00 60.61 H new ATOM 0 HZ1 LYS A 96 5.940 6.502 44.638 1.00 62.48 H new ATOM 0 HZ2 LYS A 96 5.661 6.740 43.232 1.00 62.48 H new ATOM 0 HZ3 LYS A 96 4.860 7.395 44.252 1.00 62.48 H new ATOM 698 N THR A 97 5.958 3.938 39.360 1.00 32.16 N ATOM 699 CA THR A 97 5.884 4.749 38.144 1.00 29.37 C ATOM 700 C THR A 97 7.025 4.434 37.178 1.00 27.44 C ATOM 701 O THR A 97 8.159 4.890 37.348 1.00 23.67 O ATOM 702 CB THR A 97 5.891 6.238 38.490 1.00 30.75 C ATOM 703 OG1 THR A 97 4.969 6.469 39.558 1.00 34.27 O ATOM 704 CG2 THR A 97 5.478 7.067 37.306 1.00 29.59 C ATOM 0 H THR A 97 6.710 3.985 39.775 1.00 32.16 H new ATOM 0 HA THR A 97 5.050 4.527 37.702 1.00 29.37 H new ATOM 0 HB THR A 97 6.790 6.492 38.750 1.00 30.75 H new ATOM 0 HG1 THR A 97 5.387 6.734 40.237 1.00 34.27 H new ATOM 0 HG21 THR A 97 5.490 8.006 37.548 1.00 29.59 H new ATOM 0 HG22 THR A 97 6.095 6.915 36.573 1.00 29.59 H new ATOM 0 HG23 THR A 97 4.582 6.816 37.031 1.00 29.59 H new ATOM 705 N CYS A 98 6.703 3.614 36.184 1.00 25.34 N ATOM 706 CA CYS A 98 7.654 3.114 35.204 1.00 24.02 C ATOM 707 C CYS A 98 7.276 3.663 33.833 1.00 24.46 C ATOM 708 O CYS A 98 6.196 3.385 33.323 1.00 25.10 O ATOM 709 CB CYS A 98 7.603 1.587 35.188 1.00 23.78 C ATOM 710 SG CYS A 98 8.723 0.770 34.017 1.00 24.66 S ATOM 0 H CYS A 98 5.902 3.326 36.059 1.00 25.34 H new ATOM 0 HA CYS A 98 8.553 3.398 35.431 1.00 24.02 H new ATOM 0 HB2 CYS A 98 7.804 1.264 36.080 1.00 23.78 H new ATOM 0 HB3 CYS A 98 6.695 1.313 34.985 1.00 23.78 H new ATOM 711 N LEU A 99 8.153 4.489 33.274 1.00 23.72 N ATOM 712 CA LEU A 99 7.884 5.198 32.029 1.00 23.44 C ATOM 713 C LEU A 99 8.937 4.845 30.985 1.00 24.70 C ATOM 714 O LEU A 99 10.057 4.455 31.324 1.00 24.39 O ATOM 715 CB LEU A 99 7.892 6.714 32.270 1.00 23.10 C ATOM 716 CG LEU A 99 6.802 7.299 33.168 1.00 23.25 C ATOM 717 CD1 LEU A 99 7.072 8.774 33.427 1.00 24.37 C ATOM 718 CD2 LEU A 99 5.451 7.101 32.508 1.00 24.98 C ATOM 0 H LEU A 99 8.927 4.655 33.609 1.00 23.72 H new ATOM 0 HA LEU A 99 7.010 4.930 31.705 1.00 23.44 H new ATOM 0 HB2 LEU A 99 8.752 6.950 32.652 1.00 23.10 H new ATOM 0 HB3 LEU A 99 7.835 7.153 31.407 1.00 23.10 H new ATOM 0 HG LEU A 99 6.802 6.841 34.023 1.00 23.25 H new ATOM 0 HD11 LEU A 99 6.375 9.135 33.997 1.00 24.37 H new ATOM 0 HD12 LEU A 99 7.932 8.874 33.865 1.00 24.37 H new ATOM 0 HD13 LEU A 99 7.081 9.254 32.584 1.00 24.37 H new ATOM 0 HD21 LEU A 99 4.756 7.471 33.075 1.00 24.98 H new ATOM 0 HD22 LEU A 99 5.441 7.552 31.649 1.00 24.98 H new ATOM 0 HD23 LEU A 99 5.290 6.153 32.377 1.00 24.98 H new ATOM 719 N PRO A 100 8.594 4.977 29.691 1.00 25.16 N ATOM 720 CA PRO A 100 9.586 4.620 28.682 1.00 22.99 C ATOM 721 C PRO A 100 10.680 5.663 28.572 1.00 22.73 C ATOM 722 O PRO A 100 10.518 6.807 28.977 1.00 22.64 O ATOM 723 CB PRO A 100 8.764 4.496 27.406 1.00 22.43 C ATOM 724 CG PRO A 100 7.609 5.372 27.627 1.00 23.68 C ATOM 725 CD PRO A 100 7.295 5.315 29.086 1.00 23.56 C ATOM 0 HA PRO A 100 10.064 3.802 28.892 1.00 22.99 H new ATOM 0 HB2 PRO A 100 9.274 4.773 26.629 1.00 22.43 H new ATOM 0 HB3 PRO A 100 8.488 3.579 27.252 1.00 22.43 H new ATOM 0 HG2 PRO A 100 7.810 6.281 27.354 1.00 23.68 H new ATOM 0 HG3 PRO A 100 6.849 5.079 27.100 1.00 23.68 H new ATOM 0 HD2 PRO A 100 6.956 6.163 29.414 1.00 23.56 H new ATOM 0 HD3 PRO A 100 6.622 4.645 29.283 1.00 23.56 H new ATOM 726 N SER A 101 11.842 5.213 28.138 1.00 23.98 N ATOM 727 CA SER A 101 12.985 6.083 27.968 1.00 26.57 C ATOM 728 C SER A 101 12.922 6.863 26.650 1.00 27.60 C ATOM 729 O SER A 101 12.449 6.355 25.629 1.00 27.50 O ATOM 730 CB SER A 101 14.267 5.252 28.035 1.00 25.65 C ATOM 731 OG SER A 101 15.394 6.057 27.762 1.00 29.14 O ATOM 0 H SER A 101 11.990 4.391 27.933 1.00 23.98 H new ATOM 0 HA SER A 101 12.978 6.736 28.685 1.00 26.57 H new ATOM 0 HB2 SER A 101 14.354 4.852 28.914 1.00 25.65 H new ATOM 0 HB3 SER A 101 14.221 4.524 27.396 1.00 25.65 H new ATOM 0 HG SER A 101 16.057 5.765 28.187 1.00 29.14 H new ATOM 732 N ARG A 102 13.393 8.108 26.696 1.00 29.35 N ATOM 733 CA ARG A 102 13.474 8.976 25.523 1.00 33.31 C ATOM 734 C ARG A 102 14.588 8.521 24.574 1.00 35.74 C ATOM 735 O ARG A 102 14.358 8.330 23.377 1.00 37.85 O ATOM 736 CB ARG A 102 13.731 10.414 25.981 1.00 34.49 C ATOM 737 CG ARG A 102 13.402 11.496 24.970 1.00 39.28 C ATOM 738 CD ARG A 102 13.057 12.780 25.709 1.00 42.90 C ATOM 739 NE ARG A 102 13.143 13.980 24.880 1.00 45.35 N ATOM 740 CZ ARG A 102 14.247 14.711 24.731 1.00 47.81 C ATOM 741 NH1 ARG A 102 14.179 15.878 24.115 1.00 50.52 N ATOM 742 NH2 ARG A 102 15.431 14.246 25.118 1.00 47.70 N ATOM 0 H ARG A 102 13.678 8.477 27.419 1.00 29.35 H new ATOM 0 HA ARG A 102 12.634 8.927 25.040 1.00 33.31 H new ATOM 0 HB2 ARG A 102 13.213 10.577 26.785 1.00 34.49 H new ATOM 0 HB3 ARG A 102 14.666 10.496 26.225 1.00 34.49 H new ATOM 0 HG2 ARG A 102 14.157 11.643 24.379 1.00 39.28 H new ATOM 0 HG3 ARG A 102 12.657 11.219 24.414 1.00 39.28 H new ATOM 0 HD2 ARG A 102 12.157 12.707 26.065 1.00 42.90 H new ATOM 0 HD3 ARG A 102 13.654 12.877 26.467 1.00 42.90 H new ATOM 0 HE ARG A 102 12.435 14.231 24.461 1.00 45.35 H new ATOM 0 HH11 ARG A 102 13.425 16.162 23.813 1.00 50.52 H new ATOM 0 HH12 ARG A 102 14.888 16.354 24.016 1.00 50.52 H new ATOM 0 HH21 ARG A 102 15.492 13.464 25.470 1.00 47.70 H new ATOM 0 HH22 ARG A 102 16.136 14.728 25.016 1.00 47.70 H new ATOM 743 N SER A 103 15.781 8.312 25.127 1.00 38.94 N ATOM 744 CA SER A 103 16.963 7.939 24.354 1.00 41.92 C ATOM 745 C SER A 103 16.850 6.533 23.790 1.00 44.62 C ATOM 746 O SER A 103 17.329 6.260 22.691 1.00 46.32 O ATOM 747 CB SER A 103 18.213 8.015 25.225 1.00 40.84 C ATOM 748 OG SER A 103 18.255 9.234 25.938 1.00 47.63 O ATOM 0 H SER A 103 15.928 8.384 25.971 1.00 38.94 H new ATOM 0 HA SER A 103 17.028 8.566 23.617 1.00 41.92 H new ATOM 0 HB2 SER A 103 18.224 7.271 25.847 1.00 40.84 H new ATOM 0 HB3 SER A 103 19.004 7.933 24.670 1.00 40.84 H new ATOM 0 HG SER A 103 17.874 9.138 26.680 1.00 47.63 H new ATOM 749 N ARG A 104 16.252 5.635 24.566 1.00 47.14 N ATOM 750 CA ARG A 104 16.228 4.218 24.221 1.00 48.86 C ATOM 751 C ARG A 104 14.841 3.658 24.464 1.00 49.11 C ATOM 752 O ARG A 104 14.560 3.171 25.550 1.00 47.76 O ATOM 753 CB ARG A 104 17.242 3.462 25.079 1.00 51.78 C ATOM 754 CG ARG A 104 18.544 4.220 25.305 1.00 57.18 C ATOM 755 CD ARG A 104 19.517 3.437 26.159 1.00 62.89 C ATOM 756 NE ARG A 104 19.654 2.062 25.686 1.00 69.59 N ATOM 757 CZ ARG A 104 20.311 1.100 26.333 1.00 73.13 C ATOM 758 NH1 ARG A 104 20.312 -0.137 25.837 1.00 75.43 N ATOM 759 NH2 ARG A 104 20.987 1.373 27.453 1.00 73.67 N ATOM 0 H ARG A 104 15.851 5.828 25.302 1.00 47.14 H new ATOM 0 HA ARG A 104 16.458 4.113 23.285 1.00 48.86 H new ATOM 0 HB2 ARG A 104 16.840 3.263 25.939 1.00 51.78 H new ATOM 0 HB3 ARG A 104 17.442 2.612 24.656 1.00 51.78 H new ATOM 0 HG2 ARG A 104 18.954 4.419 24.449 1.00 57.18 H new ATOM 0 HG3 ARG A 104 18.352 5.070 25.732 1.00 57.18 H new ATOM 0 HD2 ARG A 104 20.384 3.873 26.147 1.00 62.89 H new ATOM 0 HD3 ARG A 104 19.213 3.435 27.080 1.00 62.89 H new ATOM 0 HE ARG A 104 19.284 1.859 24.937 1.00 69.59 H new ATOM 0 HH11 ARG A 104 19.891 -0.308 25.107 1.00 75.43 H new ATOM 0 HH12 ARG A 104 20.733 -0.764 26.247 1.00 75.43 H new ATOM 0 HH21 ARG A 104 21.001 2.175 27.762 1.00 73.67 H new ATOM 0 HH22 ARG A 104 21.408 0.746 27.864 1.00 73.67 H new ATOM 760 N PRO A 105 13.937 3.778 23.473 1.00 51.06 N ATOM 761 CA PRO A 105 12.482 3.638 23.670 1.00 50.72 C ATOM 762 C PRO A 105 12.015 2.203 23.933 1.00 50.00 C ATOM 763 O PRO A 105 10.866 1.980 24.324 1.00 48.66 O ATOM 764 CB PRO A 105 11.880 4.196 22.374 1.00 51.54 C ATOM 765 CG PRO A 105 13.002 4.944 21.710 1.00 52.79 C ATOM 766 CD PRO A 105 14.253 4.227 22.107 1.00 51.67 C ATOM 0 HA PRO A 105 12.196 4.111 24.467 1.00 50.72 H new ATOM 0 HB2 PRO A 105 11.549 3.483 21.806 1.00 51.54 H new ATOM 0 HB3 PRO A 105 11.130 4.782 22.560 1.00 51.54 H new ATOM 0 HG2 PRO A 105 12.895 4.951 20.746 1.00 52.79 H new ATOM 0 HG3 PRO A 105 13.024 5.870 21.999 1.00 52.79 H new ATOM 0 HD2 PRO A 105 14.446 3.482 21.517 1.00 51.67 H new ATOM 0 HD3 PRO A 105 15.027 4.812 22.088 1.00 51.67 H new ATOM 767 N SER A 106 12.906 1.240 23.694 1.00 48.45 N ATOM 768 CA SER A 106 12.694 -0.160 24.073 1.00 47.29 C ATOM 769 C SER A 106 12.950 -0.375 25.568 1.00 45.98 C ATOM 770 O SER A 106 12.727 -1.470 26.095 1.00 45.61 O ATOM 771 CB SER A 106 13.634 -1.063 23.271 1.00 48.60 C ATOM 772 OG SER A 106 14.993 -0.685 23.457 1.00 50.28 O ATOM 0 H SER A 106 13.659 1.382 23.303 1.00 48.45 H new ATOM 0 HA SER A 106 11.770 -0.384 23.880 1.00 47.29 H new ATOM 0 HB2 SER A 106 13.512 -1.986 23.545 1.00 48.60 H new ATOM 0 HB3 SER A 106 13.408 -1.014 22.329 1.00 48.60 H new ATOM 0 HG SER A 106 15.489 -1.194 23.010 1.00 50.28 H new ATOM 773 N ARG A 107 13.505 0.652 26.213 1.00 42.88 N ATOM 774 CA ARG A 107 13.850 0.623 27.635 1.00 39.26 C ATOM 775 C ARG A 107 12.849 1.408 28.481 1.00 35.92 C ATOM 776 O ARG A 107 12.075 2.218 27.968 1.00 35.70 O ATOM 777 CB ARG A 107 15.249 1.210 27.853 1.00 40.52 C ATOM 778 CG ARG A 107 16.366 0.492 27.127 1.00 38.21 C ATOM 779 CD ARG A 107 16.592 -0.843 27.744 1.00 40.95 C ATOM 780 NE ARG A 107 17.871 -1.409 27.337 1.00 48.21 N ATOM 781 CZ ARG A 107 18.623 -2.185 28.112 1.00 52.08 C ATOM 782 NH1 ARG A 107 19.748 -2.705 27.641 1.00 53.56 N ATOM 783 NH2 ARG A 107 18.256 -2.438 29.363 1.00 55.25 N ATOM 0 H ARG A 107 13.695 1.398 25.829 1.00 42.88 H new ATOM 0 HA ARG A 107 13.828 -0.306 27.914 1.00 39.26 H new ATOM 0 HB2 ARG A 107 15.243 2.138 27.571 1.00 40.52 H new ATOM 0 HB3 ARG A 107 15.443 1.204 28.803 1.00 40.52 H new ATOM 0 HG2 ARG A 107 16.140 0.390 26.189 1.00 38.21 H new ATOM 0 HG3 ARG A 107 17.180 1.018 27.167 1.00 38.21 H new ATOM 0 HD2 ARG A 107 16.565 -0.763 28.710 1.00 40.95 H new ATOM 0 HD3 ARG A 107 15.875 -1.444 27.489 1.00 40.95 H new ATOM 0 HE ARG A 107 18.158 -1.230 26.546 1.00 48.21 H new ATOM 0 HH11 ARG A 107 19.992 -2.541 26.833 1.00 53.56 H new ATOM 0 HH12 ARG A 107 20.233 -3.207 28.143 1.00 53.56 H new ATOM 0 HH21 ARG A 107 17.529 -2.100 29.675 1.00 55.25 H new ATOM 0 HH22 ARG A 107 18.745 -2.940 29.861 1.00 55.25 H new ATOM 784 N ARG A 108 12.987 1.275 29.794 1.00 32.26 N ATOM 785 CA ARG A 108 12.069 1.886 30.744 1.00 31.16 C ATOM 786 C ARG A 108 12.865 2.541 31.874 1.00 26.95 C ATOM 787 O ARG A 108 14.009 2.171 32.114 1.00 26.88 O ATOM 788 CB ARG A 108 11.146 0.808 31.304 1.00 36.77 C ATOM 789 CG ARG A 108 10.263 0.157 30.257 1.00 40.41 C ATOM 790 CD ARG A 108 8.832 0.542 30.504 1.00 47.04 C ATOM 791 NE ARG A 108 8.073 0.701 29.271 1.00 55.77 N ATOM 792 CZ ARG A 108 6.907 1.339 29.189 1.00 60.19 C ATOM 793 NH1 ARG A 108 6.257 1.376 28.028 1.00 62.62 N ATOM 794 NH2 ARG A 108 6.401 1.968 30.252 1.00 61.69 N ATOM 0 H ARG A 108 13.621 0.824 30.161 1.00 32.26 H new ATOM 0 HA ARG A 108 11.537 2.566 30.302 1.00 31.16 H new ATOM 0 HB2 ARG A 108 11.684 0.124 31.733 1.00 36.77 H new ATOM 0 HB3 ARG A 108 10.584 1.199 31.991 1.00 36.77 H new ATOM 0 HG2 ARG A 108 10.536 0.438 29.369 1.00 40.41 H new ATOM 0 HG3 ARG A 108 10.360 -0.808 30.292 1.00 40.41 H new ATOM 0 HD2 ARG A 108 8.409 -0.135 31.055 1.00 47.04 H new ATOM 0 HD3 ARG A 108 8.806 1.372 31.005 1.00 47.04 H new ATOM 0 HE ARG A 108 8.398 0.362 28.551 1.00 55.77 H new ATOM 0 HH11 ARG A 108 6.590 0.989 27.336 1.00 62.62 H new ATOM 0 HH12 ARG A 108 5.504 1.787 27.970 1.00 62.62 H new ATOM 0 HH21 ARG A 108 6.829 1.964 30.998 1.00 61.69 H new ATOM 0 HH22 ARG A 108 5.647 2.378 30.191 1.00 61.69 H new ATOM 795 N VAL A 109 12.300 3.570 32.495 1.00 23.01 N ATOM 796 CA VAL A 109 12.935 4.245 33.626 1.00 22.71 C ATOM 797 C VAL A 109 11.959 4.204 34.786 1.00 22.29 C ATOM 798 O VAL A 109 10.806 4.608 34.636 1.00 21.89 O ATOM 799 CB VAL A 109 13.227 5.747 33.332 1.00 22.33 C ATOM 800 CG1 VAL A 109 13.959 6.373 34.495 1.00 21.64 C ATOM 801 CG2 VAL A 109 14.051 5.891 32.079 1.00 24.48 C ATOM 0 H VAL A 109 11.537 3.899 32.274 1.00 23.01 H new ATOM 0 HA VAL A 109 13.775 3.797 33.812 1.00 22.71 H new ATOM 0 HB VAL A 109 12.380 6.202 33.204 1.00 22.33 H new ATOM 0 HG11 VAL A 109 14.136 7.307 34.302 1.00 21.64 H new ATOM 0 HG12 VAL A 109 13.414 6.306 35.294 1.00 21.64 H new ATOM 0 HG13 VAL A 109 14.799 5.908 34.637 1.00 21.64 H new ATOM 0 HG21 VAL A 109 14.223 6.831 31.911 1.00 24.48 H new ATOM 0 HG22 VAL A 109 14.893 5.423 32.190 1.00 24.48 H new ATOM 0 HG23 VAL A 109 13.568 5.512 31.328 1.00 24.48 H new ATOM 802 N CYS A 110 12.416 3.726 35.940 1.00 19.75 N ATOM 803 CA CYS A 110 11.624 3.821 37.159 1.00 18.93 C ATOM 804 C CYS A 110 11.940 5.151 37.854 1.00 19.74 C ATOM 805 O CYS A 110 13.103 5.427 38.168 1.00 17.98 O ATOM 806 CB CYS A 110 11.929 2.644 38.090 1.00 17.66 C ATOM 807 SG CYS A 110 10.881 2.678 39.567 1.00 19.34 S ATOM 0 H CYS A 110 13.180 3.344 36.037 1.00 19.75 H new ATOM 0 HA CYS A 110 10.681 3.788 36.936 1.00 18.93 H new ATOM 0 HB2 CYS A 110 11.793 1.810 37.614 1.00 17.66 H new ATOM 0 HB3 CYS A 110 12.862 2.671 38.353 1.00 17.66 H new ATOM 808 N ILE A 111 10.923 6.008 38.003 1.00 18.65 N ATOM 809 CA ILE A 111 11.148 7.368 38.492 1.00 20.82 C ATOM 810 C ILE A 111 10.844 7.550 39.985 1.00 21.55 C ATOM 811 O ILE A 111 11.069 8.639 40.538 1.00 22.81 O ATOM 812 CB ILE A 111 10.345 8.414 37.678 1.00 22.22 C ATOM 813 CG1 ILE A 111 8.847 8.236 37.921 1.00 25.29 C ATOM 814 CG2 ILE A 111 10.679 8.306 36.186 1.00 22.65 C ATOM 815 CD1 ILE A 111 8.013 9.453 37.527 1.00 27.52 C ATOM 0 H ILE A 111 10.102 5.821 37.827 1.00 18.65 H new ATOM 0 HA ILE A 111 12.098 7.517 38.368 1.00 20.82 H new ATOM 0 HB ILE A 111 10.597 9.302 37.976 1.00 22.22 H new ATOM 0 HG12 ILE A 111 8.536 7.465 37.422 1.00 25.29 H new ATOM 0 HG13 ILE A 111 8.700 8.044 38.860 1.00 25.29 H new ATOM 0 HG21 ILE A 111 10.169 8.966 35.691 1.00 22.65 H new ATOM 0 HG22 ILE A 111 11.627 8.465 36.054 1.00 22.65 H new ATOM 0 HG23 ILE A 111 10.453 7.418 35.867 1.00 22.65 H new ATOM 0 HD11 ILE A 111 7.076 9.275 37.706 1.00 27.52 H new ATOM 0 HD12 ILE A 111 8.300 10.223 38.043 1.00 27.52 H new ATOM 0 HD13 ILE A 111 8.132 9.635 36.582 1.00 27.52 H new ATOM 816 N ASP A 112 10.468 6.450 40.645 1.00 21.01 N ATOM 817 CA ASP A 112 10.279 6.408 42.098 1.00 19.01 C ATOM 818 C ASP A 112 11.476 6.941 42.879 1.00 20.57 C ATOM 819 O ASP A 112 12.628 6.650 42.553 1.00 19.44 O ATOM 820 CB ASP A 112 10.045 4.974 42.578 1.00 21.15 C ATOM 821 CG ASP A 112 8.737 4.400 42.121 1.00 20.83 C ATOM 822 OD1 ASP A 112 8.079 4.999 41.249 1.00 23.07 O ATOM 823 OD2 ASP A 112 8.402 3.300 42.598 1.00 23.34 O ATOM 0 H ASP A 112 10.314 5.699 40.256 1.00 21.01 H new ATOM 0 HA ASP A 112 9.509 6.974 42.266 1.00 19.01 H new ATOM 0 HB2 ASP A 112 10.767 4.411 42.258 1.00 21.15 H new ATOM 0 HB3 ASP A 112 10.078 4.955 43.547 1.00 21.15 H new ATOM 824 N SER A 113 11.171 7.566 44.014 1.00 19.66 N ATOM 825 CA SER A 113 12.157 7.926 45.021 1.00 19.87 C ATOM 826 C SER A 113 11.920 6.948 46.157 1.00 20.76 C ATOM 827 O SER A 113 10.776 6.632 46.468 1.00 23.59 O ATOM 828 CB SER A 113 11.884 9.337 45.511 1.00 20.06 C ATOM 829 OG SER A 113 13.081 10.050 45.686 1.00 33.61 O ATOM 0 H SER A 113 10.369 7.796 44.221 1.00 19.66 H new ATOM 0 HA SER A 113 13.065 7.893 44.682 1.00 19.87 H new ATOM 0 HB2 SER A 113 11.318 9.800 44.874 1.00 20.06 H new ATOM 0 HB3 SER A 113 11.398 9.303 46.350 1.00 20.06 H new ATOM 0 HG SER A 113 12.908 10.827 45.955 1.00 33.61 H new ATOM 830 N TYR A 114 12.982 6.466 46.783 1.00 19.25 N ATOM 831 CA TYR A 114 12.823 5.454 47.820 1.00 17.59 C ATOM 832 C TYR A 114 13.697 5.729 49.027 1.00 15.98 C ATOM 833 O TYR A 114 14.919 5.796 48.908 1.00 14.76 O ATOM 834 CB TYR A 114 13.151 4.078 47.247 1.00 17.63 C ATOM 835 CG TYR A 114 12.991 2.950 48.239 1.00 19.26 C ATOM 836 CD1 TYR A 114 11.730 2.555 48.689 1.00 18.25 C ATOM 837 CD2 TYR A 114 14.103 2.278 48.734 1.00 21.29 C ATOM 838 CE1 TYR A 114 11.591 1.521 49.606 1.00 20.79 C ATOM 839 CE2 TYR A 114 13.974 1.245 49.641 1.00 20.52 C ATOM 840 CZ TYR A 114 12.726 0.869 50.071 1.00 21.38 C ATOM 841 OH TYR A 114 12.626 -0.170 50.968 1.00 26.07 O ATOM 0 H TYR A 114 13.793 6.705 46.627 1.00 19.25 H new ATOM 0 HA TYR A 114 11.900 5.480 48.117 1.00 17.59 H new ATOM 0 HB2 TYR A 114 12.577 3.910 46.483 1.00 17.63 H new ATOM 0 HB3 TYR A 114 14.064 4.083 46.920 1.00 17.63 H new ATOM 0 HD1 TYR A 114 10.972 2.990 48.370 1.00 18.25 H new ATOM 0 HD2 TYR A 114 14.951 2.530 48.448 1.00 21.29 H new ATOM 0 HE1 TYR A 114 10.748 1.268 49.905 1.00 20.79 H new ATOM 0 HE2 TYR A 114 14.730 0.806 49.959 1.00 20.52 H new ATOM 0 HH TYR A 114 13.361 -0.574 51.012 1.00 26.07 H new ATOM 842 N PHE A 115 13.067 5.828 50.195 1.00 16.42 N ATOM 843 CA PHE A 115 13.777 6.002 51.465 1.00 17.45 C ATOM 844 C PHE A 115 14.138 4.642 52.050 1.00 17.70 C ATOM 845 O PHE A 115 13.277 3.889 52.487 1.00 18.64 O ATOM 846 CB PHE A 115 12.908 6.802 52.455 1.00 17.75 C ATOM 847 CG PHE A 115 13.512 6.953 53.836 1.00 19.57 C ATOM 848 CD1 PHE A 115 12.861 6.434 54.950 1.00 19.97 C ATOM 849 CD2 PHE A 115 14.725 7.605 54.020 1.00 20.69 C ATOM 850 CE1 PHE A 115 13.414 6.558 56.229 1.00 21.42 C ATOM 851 CE2 PHE A 115 15.284 7.735 55.299 1.00 19.76 C ATOM 852 CZ PHE A 115 14.630 7.212 56.399 1.00 18.77 C ATOM 0 H PHE A 115 12.211 5.796 50.276 1.00 16.42 H new ATOM 0 HA PHE A 115 14.595 6.498 51.304 1.00 17.45 H new ATOM 0 HB2 PHE A 115 12.746 7.684 52.086 1.00 17.75 H new ATOM 0 HB3 PHE A 115 12.045 6.366 52.537 1.00 17.75 H new ATOM 0 HD1 PHE A 115 12.046 5.998 54.843 1.00 19.97 H new ATOM 0 HD2 PHE A 115 15.172 7.960 53.285 1.00 20.69 H new ATOM 0 HE1 PHE A 115 12.969 6.204 56.965 1.00 21.42 H new ATOM 0 HE2 PHE A 115 16.097 8.174 55.408 1.00 19.76 H new ATOM 0 HZ PHE A 115 15.001 7.297 57.248 1.00 18.77 H new ATOM 853 N GLY A 116 15.419 4.314 52.018 1.00 16.45 N ATOM 854 CA GLY A 116 15.840 3.013 52.487 1.00 18.07 C ATOM 855 C GLY A 116 17.284 2.781 52.124 1.00 20.66 C ATOM 856 O GLY A 116 17.931 3.678 51.591 1.00 21.17 O ATOM 0 H GLY A 116 16.050 4.823 51.733 1.00 16.45 H new ATOM 0 HA2 GLY A 116 15.726 2.954 53.449 1.00 18.07 H new ATOM 0 HA3 GLY A 116 15.284 2.323 52.093 1.00 18.07 H new ATOM 857 N PRO A 117 17.819 1.579 52.377 1.00 23.46 N ATOM 858 CA PRO A 117 19.251 1.338 52.141 1.00 22.59 C ATOM 859 C PRO A 117 19.622 1.436 50.648 1.00 23.53 C ATOM 860 O PRO A 117 18.789 1.159 49.780 1.00 22.69 O ATOM 861 CB PRO A 117 19.471 -0.064 52.705 1.00 23.64 C ATOM 862 CG PRO A 117 18.098 -0.716 52.663 1.00 24.98 C ATOM 863 CD PRO A 117 17.116 0.387 52.895 1.00 22.56 C ATOM 0 HA PRO A 117 19.817 2.003 52.563 1.00 22.59 H new ATOM 0 HB2 PRO A 117 20.113 -0.561 52.174 1.00 23.64 H new ATOM 0 HB3 PRO A 117 19.817 -0.029 53.610 1.00 23.64 H new ATOM 0 HG2 PRO A 117 17.943 -1.146 51.807 1.00 24.98 H new ATOM 0 HG3 PRO A 117 18.018 -1.402 53.344 1.00 24.98 H new ATOM 0 HD2 PRO A 117 16.283 0.230 52.424 1.00 22.56 H new ATOM 0 HD3 PRO A 117 16.897 0.480 53.835 1.00 22.56 H new ATOM 864 N VAL A 118 20.829 1.924 50.363 1.00 22.30 N ATOM 865 CA VAL A 118 21.328 2.015 48.993 1.00 24.23 C ATOM 866 C VAL A 118 21.234 0.660 48.320 1.00 24.72 C ATOM 867 O VAL A 118 21.657 -0.344 48.881 1.00 26.69 O ATOM 868 CB VAL A 118 22.802 2.451 48.943 1.00 24.93 C ATOM 869 CG1 VAL A 118 23.253 2.599 47.495 1.00 24.73 C ATOM 870 CG2 VAL A 118 22.980 3.756 49.678 1.00 29.69 C ATOM 0 H VAL A 118 21.380 2.211 50.958 1.00 22.30 H new ATOM 0 HA VAL A 118 20.782 2.676 48.539 1.00 24.23 H new ATOM 0 HB VAL A 118 23.346 1.773 49.373 1.00 24.93 H new ATOM 0 HG11 VAL A 118 24.183 2.874 47.472 1.00 24.73 H new ATOM 0 HG12 VAL A 118 23.156 1.749 47.037 1.00 24.73 H new ATOM 0 HG13 VAL A 118 22.707 3.268 47.053 1.00 24.73 H new ATOM 0 HG21 VAL A 118 23.912 4.024 49.642 1.00 29.69 H new ATOM 0 HG22 VAL A 118 22.431 4.439 49.262 1.00 29.69 H new ATOM 0 HG23 VAL A 118 22.712 3.646 50.604 1.00 29.69 H new ATOM 871 N PRO A 119 20.631 0.607 47.123 1.00 24.53 N ATOM 872 CA PRO A 119 20.475 -0.670 46.419 1.00 22.72 C ATOM 873 C PRO A 119 21.835 -1.230 45.962 1.00 23.67 C ATOM 874 O PRO A 119 22.811 -0.485 45.835 1.00 25.08 O ATOM 875 CB PRO A 119 19.561 -0.307 45.253 1.00 22.11 C ATOM 876 CG PRO A 119 19.838 1.133 45.012 1.00 22.52 C ATOM 877 CD PRO A 119 20.078 1.735 46.350 1.00 21.71 C ATOM 0 HA PRO A 119 20.105 -1.377 46.970 1.00 22.72 H new ATOM 0 HB2 PRO A 119 19.757 -0.842 44.468 1.00 22.11 H new ATOM 0 HB3 PRO A 119 18.628 -0.457 45.473 1.00 22.11 H new ATOM 0 HG2 PRO A 119 20.611 1.246 44.437 1.00 22.52 H new ATOM 0 HG3 PRO A 119 19.089 1.561 44.568 1.00 22.52 H new ATOM 0 HD2 PRO A 119 20.699 2.478 46.304 1.00 21.71 H new ATOM 0 HD3 PRO A 119 19.259 2.074 46.744 1.00 21.71 H new ATOM 878 N PRO A 120 21.951 -2.563 45.829 1.00 22.89 N ATOM 879 CA PRO A 120 23.213 -3.082 45.296 1.00 23.06 C ATOM 880 C PRO A 120 23.418 -2.641 43.846 1.00 21.81 C ATOM 881 O PRO A 120 22.452 -2.312 43.154 1.00 22.67 O ATOM 882 CB PRO A 120 23.057 -4.600 45.421 1.00 21.27 C ATOM 883 CG PRO A 120 21.596 -4.826 45.419 1.00 24.06 C ATOM 884 CD PRO A 120 20.995 -3.645 46.127 1.00 22.66 C ATOM 0 HA PRO A 120 23.994 -2.754 45.769 1.00 23.06 H new ATOM 0 HB2 PRO A 120 23.486 -5.061 44.683 1.00 21.27 H new ATOM 0 HB3 PRO A 120 23.464 -4.930 46.237 1.00 21.27 H new ATOM 0 HG2 PRO A 120 21.257 -4.898 44.513 1.00 24.06 H new ATOM 0 HG3 PRO A 120 21.372 -5.654 45.872 1.00 24.06 H new ATOM 0 HD2 PRO A 120 20.106 -3.441 45.796 1.00 22.66 H new ATOM 0 HD3 PRO A 120 20.914 -3.801 47.081 1.00 22.66 H new ATOM 885 N ARG A 121 24.679 -2.534 43.428 1.00 21.61 N ATOM 886 CA ARG A 121 25.027 -2.289 42.025 1.00 23.84 C ATOM 887 C ARG A 121 24.597 -3.488 41.174 1.00 25.56 C ATOM 888 O ARG A 121 24.519 -4.601 41.677 1.00 27.78 O ATOM 889 CB ARG A 121 26.537 -2.059 41.892 1.00 21.77 C ATOM 890 CG ARG A 121 27.037 -0.764 42.542 1.00 19.73 C ATOM 0 H ARG A 121 25.359 -2.601 43.950 1.00 21.61 H new ATOM 0 HA ARG A 121 24.564 -1.496 41.713 1.00 23.84 H new ATOM 0 HB2 ARG A 121 27.004 -2.810 42.290 1.00 21.77 H new ATOM 0 HB3 ARG A 121 26.770 -2.047 40.951 1.00 21.77 H new ATOM 891 N CYS A 122 24.159 -3.238 39.945 1.00 29.07 N ATOM 892 CA CYS A 122 23.839 -4.332 39.021 1.00 31.07 C ATOM 893 C CYS A 122 25.105 -5.001 38.494 1.00 33.99 C ATOM 894 O CYS A 122 25.193 -6.229 38.440 1.00 34.24 O ATOM 895 CB CYS A 122 23.016 -3.819 37.841 1.00 26.77 C ATOM 896 SG CYS A 122 21.372 -3.200 38.313 1.00 24.54 S ATOM 0 H CYS A 122 24.039 -2.449 39.624 1.00 29.07 H new ATOM 0 HA CYS A 122 23.322 -4.985 39.517 1.00 31.07 H new ATOM 0 HB2 CYS A 122 23.506 -3.108 37.399 1.00 26.77 H new ATOM 0 HB3 CYS A 122 22.910 -4.535 37.195 1.00 26.77 H new ATOM 897 N THR A 123 26.064 -4.182 38.074 1.00 36.16 N ATOM 898 CA THR A 123 27.333 -4.680 37.564 1.00 39.04 C ATOM 899 C THR A 123 28.486 -4.178 38.432 1.00 37.89 C ATOM 900 O THR A 123 28.765 -4.863 39.439 1.00 40.70 O ATOM 901 CB THR A 123 27.571 -4.239 36.092 1.00 39.81 C ATOM 902 OG1 THR A 123 28.062 -2.898 36.073 1.00 44.75 O ATOM 903 CG2 THR A 123 26.278 -4.307 35.274 1.00 37.24 C ATOM 0 H THR A 123 25.996 -3.325 38.077 1.00 36.16 H new ATOM 0 HA THR A 123 27.297 -5.649 37.593 1.00 39.04 H new ATOM 0 HB THR A 123 28.218 -4.844 35.697 1.00 39.81 H new ATOM 0 HG1 THR A 123 28.193 -2.658 35.279 1.00 44.75 H new ATOM 0 HG21 THR A 123 26.456 -4.027 34.363 1.00 37.24 H new ATOM 0 HG22 THR A 123 25.943 -5.217 35.273 1.00 37.24 H new ATOM 0 HG23 THR A 123 25.614 -3.720 35.668 1.00 37.24 H new TER 904 THR A 123 HETATM 905 O HOH A 124 9.743 -20.574 59.828 1.00 18.20 O HETATM 906 O HOH A 126 5.903 -14.077 64.251 1.00 48.02 O HETATM 907 O HOH A 127 17.874 -0.835 56.061 1.00 18.49 O HETATM 908 O HOH A 128 14.548 -6.059 59.815 1.00 10.33 O HETATM 909 O HOH A 129 19.470 -16.163 60.203 1.00 26.15 O HETATM 910 O HOH A 130 20.481 -16.490 57.721 1.00 23.20 O HETATM 911 O HOH A 131 15.135 3.264 36.531 1.00 20.65 O HETATM 912 O HOH A 132 17.136 4.027 48.648 1.00 18.78 O HETATM 913 O HOH A 133 10.080 -16.074 66.116 1.00 34.78 O HETATM 914 O HOH A 134 12.850 -17.448 65.322 1.00 45.75 O HETATM 915 O HOH A 135 31.350 -4.704 39.718 1.00 55.03 O HETATM 916 O HOH A 136 24.282 9.314 45.139 1.00 26.91 O HETATM 917 O HOH A 137 24.120 -5.449 67.874 1.00 34.92 O HETATM 918 O HOH A 138 12.106 -6.504 58.747 1.00 28.86 O HETATM 919 O HOH A 139 12.820 -0.771 38.560 1.00 17.93 O HETATM 920 O HOH A 140 15.054 0.552 37.684 1.00 22.47 O HETATM 921 O HOH A 141 14.206 5.695 40.736 1.00 19.93 O HETATM 922 O HOH A 142 10.200 5.496 50.389 1.00 33.18 O HETATM 923 O HOH A 143 17.466 -9.284 45.654 1.00 56.82 O HETATM 924 O HOH A 144 8.754 -14.860 63.967 1.00 41.43 O HETATM 925 O HOH A 145 16.490 1.899 63.529 1.00 20.28 O HETATM 926 O HOH A 146 13.720 -10.492 50.219 1.00 28.45 O HETATM 927 O HOH A 147 15.151 -10.904 60.826 1.00 22.74 O HETATM 928 O HOH A 148 19.540 1.469 56.866 1.00 40.13 O HETATM 929 O HOH A 149 10.238 1.062 59.546 1.00 31.03 O HETATM 930 O HOH A 150 11.571 3.451 66.879 1.00 39.84 O HETATM 931 O HOH A 151 20.489 5.132 62.053 1.00 48.99 O HETATM 932 O HOH A 152 9.541 -6.902 59.994 1.00 30.29 O HETATM 933 O HOH A 153 10.859 -9.015 45.038 1.00 52.38 O HETATM 934 O HOH A 154 18.858 -7.729 47.967 1.00 47.92 O HETATM 935 O HOH A 155 17.647 -0.902 38.049 1.00 27.44 O HETATM 936 O HOH A 156 14.957 -3.673 38.687 1.00 36.61 O HETATM 937 O HOH A 157 24.497 3.362 41.503 1.00 31.23 O HETATM 938 O HOH A 158 23.109 1.208 43.588 1.00 33.77 O HETATM 939 O HOH A 159 24.998 2.860 44.368 1.00 35.80 O HETATM 940 O HOH A 160 20.635 5.457 32.225 1.00 28.20 O HETATM 941 O HOH A 161 16.463 11.068 53.374 1.00 35.15 O HETATM 942 O HOH A 162 12.071 10.253 51.194 1.00 36.79 O HETATM 943 O HOH A 163 6.598 7.328 41.644 1.00 33.61 O HETATM 944 O HOH A 164 16.782 8.736 28.079 1.00 28.40 O HETATM 945 O HOH A 165 17.509 -22.248 48.539 1.00 46.45 O CONECT 52 446 CONECT 58 166 CONECT 93 153 CONECT 153 93 CONECT 166 58 CONECT 224 271 CONECT 253 357 CONECT 271 224 CONECT 357 253 CONECT 446 52 CONECT 493 896 CONECT 499 611 CONECT 535 594 CONECT 594 535 CONECT 611 499 CONECT 663 710 CONECT 688 807 CONECT 710 663 CONECT 807 688 CONECT 896 493 END