USER MOD reduce.3.24.130724 H: found=0, std=0, add=1430, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER RIBONUCLEASE INHIBITOR 25-DEC-97 1A19 TITLE BARSTAR (FREE), C82A MUTANT COMPND MOL_ID: 1; COMPND 2 MOLECULE: BARSTAR; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; SOURCE 3 ORGANISM_TAXID: 1390; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS BARSTAR, C82A, DIMER, UNCOMPLEXED, RIBONUCLEASE INHIBITOR EXPDTA X-RAY DIFFRACTION AUTHOR G.S.RATNAPARKHI,R.VARADARAJAN REVDAT 2 24-FEB-09 1A19 1 VERSN REVDAT 1 08-APR-98 1A19 0 JRNL AUTH G.S.RATNAPARKHI,S.RAMACHANDRAN,J.B.UDGAONKAR, JRNL AUTH 2 R.VARADARAJAN JRNL TITL DISCREPANCIES BETWEEN THE NMR AND X-RAY STRUCTURES JRNL TITL 2 OF UNCOMPLEXED BARSTAR: ANALYSIS SUGGESTS THAT JRNL TITL 3 PACKING DENSITIES OF PROTEIN STRUCTURES DETERMINED JRNL TITL 4 BY NMR ARE UNRELIABLE. JRNL REF BIOCHEMISTRY V. 37 6958 1998 JRNL REFN ISSN 0006-2960 JRNL PMID 9578582 JRNL DOI 10.1021/BI972857N REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.76 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.76 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0100 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 85.0 REMARK 3 NUMBER OF REFLECTIONS : 4081 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.203 REMARK 3 FREE R VALUE : 0.292 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 15.100 REMARK 3 FREE R VALUE TEST SET COUNT : 618 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.012 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 10 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.90 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 55.80 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 226 REMARK 3 BIN R VALUE (WORKING SET) : 0.4650 REMARK 3 BIN FREE R VALUE : 0.4650 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 12.70 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 33 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.081 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1438 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 61.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 48.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.40 REMARK 3 ESD FROM SIGMAA (A) : 0.57 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.52 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.59 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.80 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.54 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 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 : RESTRAINED, 100 KCAL/MOL WEIGHT FINAL POSITIONAL REMARK 3 REFINEMENT USING ALL REFLECTIONS AND REMOVING NCS REMARK 3 RESTRAINTS. 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 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : NULL REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: MET PRESENT AT N-TERMINUS DURING REMARK 3 EXPRESSION IS NOT INCLUDED IN THE SEQUENCE OR THE STRUCTURE. REMARK 4 REMARK 4 1A19 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : DEC-96 REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MARXDS REMARK 200 DATA SCALING SOFTWARE : MARSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 4796 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.760 REMARK 200 RESOLUTION RANGE LOW (A) : 10.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 85.0 REMARK 200 DATA REDUNDANCY : 7.000 REMARK 200 R MERGE (I) : 0.07600 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 33.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.90 REMARK 200 COMPLETENESS FOR SHELL (%) : 50.0 REMARK 200 DATA REDUNDANCY IN SHELL : 7.00 REMARK 200 R MERGE FOR SHELL (I) : 0.05000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRIES 1BGS, 1BRS REMARK 200 REMARK 200 REMARK: 1BGS & 2BRS ARE THE COMPLEX OF BARSTAR WITH BARNASE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.40 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: C82A MUTANT WAS CRYSTALLIZED FROM REMARK 280 40-60% AMMONIUM SULFATE, 50MM PHOSPHATE, PH=6.5. PROTEIN CONC= REMARK 280 45 MG/ML. C40A AND DTNB LABELLED CRYSTALS ALSO CRYSTALLIZED REMARK 280 BUT DID NOT DIFFRACT TO HIGH RESOLUTION. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 41 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X+1/2,Z+1/4 REMARK 290 3555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 4555 Y+1/2,-X,Z+3/4 REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 REMARK 290 6555 -Y+1/2,X,Z+3/4 REMARK 290 7555 -X,-Y,Z REMARK 290 8555 Y,-X+1/2,Z+1/4 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 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 1.000000 0.000000 0.000000 52.09100 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 9.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 52.09100 REMARK 290 SMTRY2 3 0.000000 -1.000000 0.000000 52.09100 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 18.00000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 52.09100 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 27.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 52.09100 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 52.09100 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 18.00000 REMARK 290 SMTRY1 6 0.000000 -1.000000 0.000000 52.09100 REMARK 290 SMTRY2 6 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 27.00000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 0.000000 -1.000000 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 52.09100 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 9.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 0 REMARK 465 MET B 0 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 ILE A 10 76.17 -66.87 REMARK 500 LEU A 26 172.64 -58.41 REMARK 500 TYR A 30 115.19 -39.82 REMARK 500 SER A 59 -16.39 -47.16 REMARK 500 LEU A 62 33.12 -76.43 REMARK 500 THR A 63 23.68 -155.08 REMARK 500 ALA A 82 139.87 -36.85 REMARK 500 ILE B 10 77.28 -69.57 REMARK 500 LEU B 26 176.18 -54.34 REMARK 500 TYR B 30 107.79 -38.75 REMARK 500 LEU B 62 30.31 -79.07 REMARK 500 THR B 63 23.21 -152.09 REMARK 500 ALA B 82 139.74 -35.14 REMARK 500 REMARK 500 REMARK: NULL DBREF 1A19 A 1 89 UNP P11540 BARS_BACAM 1 89 DBREF 1A19 B 1 89 UNP P11540 BARS_BACAM 1 89 SEQADV 1A19 ALA A 82 UNP P11540 CYS 82 ENGINEERED SEQADV 1A19 ALA B 82 UNP P11540 CYS 82 ENGINEERED SEQRES 1 A 90 MET LYS LYS ALA VAL ILE ASN GLY GLU GLN ILE ARG SER SEQRES 2 A 90 ILE SER ASP LEU HIS GLN THR LEU LYS LYS GLU LEU ALA SEQRES 3 A 90 LEU PRO GLU TYR TYR GLY GLU ASN LEU ASP ALA LEU TRP SEQRES 4 A 90 ASP CYS LEU THR GLY TRP VAL GLU TYR PRO LEU VAL LEU SEQRES 5 A 90 GLU TRP ARG GLN PHE GLU GLN SER LYS GLN LEU THR GLU SEQRES 6 A 90 ASN GLY ALA GLU SER VAL LEU GLN VAL PHE ARG GLU ALA SEQRES 7 A 90 LYS ALA GLU GLY ALA ASP ILE THR ILE ILE LEU SER SEQRES 1 B 90 MET LYS LYS ALA VAL ILE ASN GLY GLU GLN ILE ARG SER SEQRES 2 B 90 ILE SER ASP LEU HIS GLN THR LEU LYS LYS GLU LEU ALA SEQRES 3 B 90 LEU PRO GLU TYR TYR GLY GLU ASN LEU ASP ALA LEU TRP SEQRES 4 B 90 ASP CYS LEU THR GLY TRP VAL GLU TYR PRO LEU VAL LEU SEQRES 5 B 90 GLU TRP ARG GLN PHE GLU GLN SER LYS GLN LEU THR GLU SEQRES 6 B 90 ASN GLY ALA GLU SER VAL LEU GLN VAL PHE ARG GLU ALA SEQRES 7 B 90 LYS ALA GLU GLY ALA ASP ILE THR ILE ILE LEU SER HELIX 1 1 ILE A 13 GLU A 23 1 11 HELIX 2 2 LEU A 34 LEU A 41 1 8 HELIX 3 3 PHE A 56 THR A 63 1 8 HELIX 4 4 ALA A 67 GLU A 80 1 14 HELIX 5 5 ILE B 13 GLU B 23 1 11 HELIX 6 6 LEU B 34 LEU B 41 1 8 HELIX 7 7 PHE B 56 THR B 63 1 8 HELIX 8 8 ALA B 67 GLU B 80 1 14 SHEET 1 A 3 LYS A 2 ASN A 6 0 SHEET 2 A 3 LEU A 49 ARG A 54 1 N VAL A 50 O ALA A 3 SHEET 3 A 3 ILE A 84 ILE A 87 1 N THR A 85 O LEU A 49 SHEET 1 B 3 LYS B 2 ASN B 6 0 SHEET 2 B 3 LEU B 49 ARG B 54 1 N VAL B 50 O ALA B 3 SHEET 3 B 3 ILE B 84 ILE B 87 1 N THR B 85 O LEU B 49 CISPEP 1 TYR A 47 PRO A 48 0 0.04 CISPEP 2 TYR B 47 PRO B 48 0 -0.30 CRYST1 104.182 104.182 36.000 90.00 90.00 90.00 I 41 16 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 0.009599 0.000000 0.000000 0.00000 SCALE2 0.000000 0.009599 0.000000 0.00000 SCALE3 0.000000 0.000000 0.027778 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: B 17 HIS : no HD1:sc= 0.498 K(o=1.3,f=-11!) USER MOD Set 1.2: B 30 TYR OH : rot -169:sc= 0.809 USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0.287 K(o=1.4,f=-8.6!) USER MOD Set 2.2: A 30 TYR OH : rot -169:sc= 1.1 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 142:sc= -2.52! (180deg=-3.8!) USER MOD Single : A 6 ASN : amide:sc=-0.00599 K(o=-0.006,f=-3!) USER MOD Single : A 9 GLN : amide:sc= -0.215 K(o=-0.22,f=-0.82) USER MOD Single : A 12 SER OG : rot 180:sc= -0.148 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.19) USER MOD Single : A 19 THR OG1 : rot 74:sc= 0.684 USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= 0.296 (180deg=0.107) USER MOD Single : A 22 LYS NZ :NH3+ -155:sc= 0.209 (180deg=-1.41!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -7.49! C(o=-7.5!,f=-5.6!) USER MOD Single : A 40 CYS SG : rot 92:sc= -1.19 USER MOD Single : A 42 THR OG1 : rot -21:sc= 0.285 USER MOD Single : A 47 TYR OH : rot 144:sc= 1.18 USER MOD Single : A 55 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 58 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.16) USER MOD Single : A 59 SER OG : rot -40:sc= 0.367 USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= 0.251 (180deg=-0.332) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 63 THR OG1 : rot -141:sc= 1.21 USER MOD Single : A 65 ASN : amide:sc= -3.61! C(o=-3.6!,f=-4.6!) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0679 USER MOD Single : A 72 GLN : amide:sc= -0.565 X(o=-0.56,f=-0.07) USER MOD Single : A 78 LYS NZ :NH3+ 145:sc= -0.351 (180deg=-1.76!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -164:sc= 1.31 USER MOD Single : B 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ 146:sc= -2.52! (180deg=-3.92!) USER MOD Single : B 6 ASN : amide:sc=-0.00887 K(o=-0.0089,f=-3.1!) USER MOD Single : B 9 GLN : amide:sc= -0.0518 K(o=-0.052,f=-0.97) USER MOD Single : B 12 SER OG : rot 180:sc=-0.00141 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.1) USER MOD Single : B 19 THR OG1 : rot 75:sc= 0.538 USER MOD Single : B 21 LYS NZ :NH3+ -155:sc= 0.211 (180deg=0.0651) USER MOD Single : B 22 LYS NZ :NH3+ -153:sc= 0.15 (180deg=-1.5!) USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= -10.5! C(o=-10!,f=-8.3!) USER MOD Single : B 40 CYS SG : rot 150:sc= -2.65 USER MOD Single : B 42 THR OG1 : rot -23:sc= 0.414 USER MOD Single : B 47 TYR OH : rot 169:sc= 1.2 USER MOD Single : B 55 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : B 58 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.06) USER MOD Single : B 59 SER OG : rot -36:sc= 0.443 USER MOD Single : B 60 LYS NZ :NH3+ 159:sc= 0.287 (180deg=-0.653!) USER MOD Single : B 61 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : B 63 THR OG1 : rot -129:sc= 0.855 USER MOD Single : B 65 ASN : amide:sc= -3.2! C(o=-3.2!,f=-4.4!) USER MOD Single : B 69 SER OG : rot 180:sc= 0.0396 USER MOD Single : B 72 GLN : amide:sc= -0.605 K(o=-0.6,f=-0.055) USER MOD Single : B 78 LYS NZ :NH3+ 168:sc= -1.26! (180deg=-1.66!) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 SER OG : rot -155:sc= 0.856 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 99.864 52.581 -5.099 1.00 52.69 N ATOM 2 CA LYS A 1 98.880 51.736 -5.841 1.00 51.62 C ATOM 3 C LYS A 1 97.862 51.097 -4.890 1.00 49.92 C ATOM 4 O LYS A 1 96.658 51.274 -5.048 1.00 49.38 O ATOM 5 CB LYS A 1 99.614 50.652 -6.636 1.00 52.27 C ATOM 6 CG LYS A 1 99.215 50.600 -8.104 1.00 53.15 C ATOM 7 CD LYS A 1 98.997 49.163 -8.582 1.00 52.28 C ATOM 8 CE LYS A 1 97.824 48.483 -7.860 1.00 53.06 C ATOM 9 NZ LYS A 1 96.666 48.171 -8.765 1.00 49.66 N ATOM 0 H1 LYS A 1 100.442 52.939 -5.674 1.00 52.69 H new ATOM 0 H2 LYS A 1 99.433 53.230 -4.669 1.00 52.69 H new ATOM 0 H3 LYS A 1 100.304 52.078 -4.511 1.00 52.69 H new ATOM 0 HA LYS A 1 98.394 52.309 -6.454 1.00 51.62 H new ATOM 0 HB2 LYS A 1 100.570 50.806 -6.573 1.00 52.27 H new ATOM 0 HB3 LYS A 1 99.439 49.789 -6.230 1.00 52.27 H new ATOM 0 HG2 LYS A 1 98.402 51.112 -8.237 1.00 53.15 H new ATOM 0 HG3 LYS A 1 99.905 51.019 -8.642 1.00 53.15 H new ATOM 0 HD2 LYS A 1 98.830 49.164 -9.538 1.00 52.28 H new ATOM 0 HD3 LYS A 1 99.806 48.649 -8.436 1.00 52.28 H new ATOM 0 HE2 LYS A 1 98.137 47.661 -7.452 1.00 53.06 H new ATOM 0 HE3 LYS A 1 97.518 49.058 -7.141 1.00 53.06 H new ATOM 0 HZ1 LYS A 1 96.019 47.780 -8.295 1.00 49.66 H new ATOM 0 HZ2 LYS A 1 96.358 48.925 -9.124 1.00 49.66 H new ATOM 0 HZ3 LYS A 1 96.934 47.623 -9.413 1.00 49.66 H new ATOM 10 N LYS A 2 98.344 50.359 -3.898 1.00 50.17 N ATOM 11 CA LYS A 2 97.461 49.724 -2.923 1.00 49.43 C ATOM 12 C LYS A 2 97.661 50.362 -1.561 1.00 45.91 C ATOM 13 O LYS A 2 98.785 50.463 -1.087 1.00 48.45 O ATOM 14 CB LYS A 2 97.780 48.240 -2.803 1.00 55.71 C ATOM 15 CG LYS A 2 97.436 47.415 -4.039 1.00 68.26 C ATOM 16 CD LYS A 2 97.687 45.912 -3.823 1.00 73.40 C ATOM 17 CE LYS A 2 97.107 45.409 -2.483 1.00 76.25 C ATOM 18 NZ LYS A 2 95.870 46.125 -2.013 1.00 70.97 N ATOM 0 H LYS A 2 99.182 50.212 -3.770 1.00 50.17 H new ATOM 0 HA LYS A 2 96.546 49.840 -3.222 1.00 49.43 H new ATOM 0 HB2 LYS A 2 98.726 48.139 -2.614 1.00 55.71 H new ATOM 0 HB3 LYS A 2 97.299 47.878 -2.043 1.00 55.71 H new ATOM 0 HG2 LYS A 2 96.505 47.556 -4.271 1.00 68.26 H new ATOM 0 HG3 LYS A 2 97.965 47.725 -4.790 1.00 68.26 H new ATOM 0 HD2 LYS A 2 97.290 45.412 -4.553 1.00 73.40 H new ATOM 0 HD3 LYS A 2 98.641 45.739 -3.846 1.00 73.40 H new ATOM 0 HE2 LYS A 2 96.904 44.464 -2.569 1.00 76.25 H new ATOM 0 HE3 LYS A 2 97.791 45.491 -1.800 1.00 76.25 H new ATOM 0 HZ1 LYS A 2 95.313 45.541 -1.638 1.00 70.97 H new ATOM 0 HZ2 LYS A 2 96.095 46.745 -1.416 1.00 70.97 H new ATOM 0 HZ3 LYS A 2 95.470 46.513 -2.707 1.00 70.97 H new ATOM 19 N ALA A 3 96.578 50.787 -0.927 1.00 40.46 N ATOM 20 CA ALA A 3 96.680 51.404 0.387 1.00 35.98 C ATOM 21 C ALA A 3 95.857 50.596 1.367 1.00 33.36 C ATOM 22 O ALA A 3 94.849 50.024 0.994 1.00 37.55 O ATOM 23 CB ALA A 3 96.176 52.820 0.326 1.00 34.80 C ATOM 0 H ALA A 3 95.778 50.728 -1.238 1.00 40.46 H new ATOM 0 HA ALA A 3 97.606 51.420 0.676 1.00 35.98 H new ATOM 0 HB1 ALA A 3 96.246 53.227 1.204 1.00 34.80 H new ATOM 0 HB2 ALA A 3 96.708 53.326 -0.308 1.00 34.80 H new ATOM 0 HB3 ALA A 3 95.248 52.822 0.043 1.00 34.80 H new ATOM 24 N VAL A 4 96.274 50.533 2.620 1.00 30.89 N ATOM 25 CA VAL A 4 95.517 49.762 3.596 1.00 30.53 C ATOM 26 C VAL A 4 95.368 50.465 4.919 1.00 29.74 C ATOM 27 O VAL A 4 96.339 50.792 5.581 1.00 28.01 O ATOM 28 CB VAL A 4 96.154 48.390 3.889 1.00 34.09 C ATOM 29 CG1 VAL A 4 95.331 47.663 4.944 1.00 31.17 C ATOM 30 CG2 VAL A 4 96.240 47.555 2.615 1.00 35.02 C ATOM 0 H VAL A 4 96.979 50.920 2.924 1.00 30.89 H new ATOM 0 HA VAL A 4 94.647 49.652 3.181 1.00 30.53 H new ATOM 0 HB VAL A 4 97.055 48.525 4.223 1.00 34.09 H new ATOM 0 HG11 VAL A 4 95.732 46.799 5.129 1.00 31.17 H new ATOM 0 HG12 VAL A 4 95.310 48.190 5.758 1.00 31.17 H new ATOM 0 HG13 VAL A 4 94.426 47.536 4.618 1.00 31.17 H new ATOM 0 HG21 VAL A 4 96.643 46.696 2.817 1.00 35.02 H new ATOM 0 HG22 VAL A 4 95.349 47.418 2.257 1.00 35.02 H new ATOM 0 HG23 VAL A 4 96.783 48.020 1.959 1.00 35.02 H new ATOM 31 N ILE A 5 94.124 50.667 5.303 1.00 33.12 N ATOM 32 CA ILE A 5 93.790 51.329 6.542 1.00 35.44 C ATOM 33 C ILE A 5 93.004 50.375 7.422 1.00 41.21 C ATOM 34 O ILE A 5 92.007 49.805 6.982 1.00 45.47 O ATOM 35 CB ILE A 5 92.928 52.532 6.258 1.00 32.38 C ATOM 36 CG1 ILE A 5 93.794 53.630 5.646 1.00 28.80 C ATOM 37 CG2 ILE A 5 92.193 52.953 7.519 1.00 32.38 C ATOM 38 CD1 ILE A 5 93.171 54.299 4.447 1.00 29.15 C ATOM 0 H ILE A 5 93.440 50.420 4.844 1.00 33.12 H new ATOM 0 HA ILE A 5 94.607 51.604 6.986 1.00 35.44 H new ATOM 0 HB ILE A 5 92.239 52.324 5.608 1.00 32.38 H new ATOM 0 HG12 ILE A 5 93.976 54.301 6.322 1.00 28.80 H new ATOM 0 HG13 ILE A 5 94.648 53.250 5.386 1.00 28.80 H new ATOM 0 HG21 ILE A 5 91.641 53.727 7.329 1.00 32.38 H new ATOM 0 HG22 ILE A 5 91.632 52.224 7.826 1.00 32.38 H new ATOM 0 HG23 ILE A 5 92.837 53.177 8.209 1.00 32.38 H new ATOM 0 HD11 ILE A 5 93.771 54.983 4.110 1.00 29.15 H new ATOM 0 HD12 ILE A 5 93.011 53.639 3.754 1.00 29.15 H new ATOM 0 HD13 ILE A 5 92.329 54.707 4.705 1.00 29.15 H new ATOM 39 N ASN A 6 93.452 50.186 8.657 1.00 44.97 N ATOM 40 CA ASN A 6 92.744 49.303 9.571 1.00 47.25 C ATOM 41 C ASN A 6 92.208 50.160 10.679 1.00 46.18 C ATOM 42 O ASN A 6 92.965 50.621 11.524 1.00 43.57 O ATOM 43 CB ASN A 6 93.667 48.228 10.165 1.00 51.32 C ATOM 44 CG ASN A 6 95.089 48.284 9.611 1.00 54.82 C ATOM 45 OD1 ASN A 6 95.723 49.348 9.574 1.00 58.53 O ATOM 46 ND2 ASN A 6 95.601 47.127 9.191 1.00 52.79 N ATOM 0 H ASN A 6 94.157 50.556 8.982 1.00 44.97 H new ATOM 0 HA ASN A 6 92.039 48.841 9.091 1.00 47.25 H new ATOM 0 HB2 ASN A 6 93.697 48.332 11.129 1.00 51.32 H new ATOM 0 HB3 ASN A 6 93.291 47.352 9.986 1.00 51.32 H new ATOM 0 HD21 ASN A 6 96.402 47.099 8.879 1.00 52.79 H new ATOM 0 HD22 ASN A 6 95.130 46.408 9.232 1.00 52.79 H new ATOM 47 N GLY A 7 90.903 50.389 10.660 1.00 49.08 N ATOM 48 CA GLY A 7 90.290 51.199 11.694 1.00 56.52 C ATOM 49 C GLY A 7 90.607 50.692 13.094 1.00 61.26 C ATOM 50 O GLY A 7 90.232 51.320 14.091 1.00 62.19 O ATOM 0 H GLY A 7 90.362 50.088 10.064 1.00 49.08 H new ATOM 0 HA2 GLY A 7 90.597 52.115 11.608 1.00 56.52 H new ATOM 0 HA3 GLY A 7 89.328 51.208 11.566 1.00 56.52 H new ATOM 51 N GLU A 8 91.296 49.553 13.172 1.00 64.63 N ATOM 52 CA GLU A 8 91.669 48.966 14.459 1.00 64.94 C ATOM 53 C GLU A 8 92.590 49.911 15.246 1.00 61.89 C ATOM 54 O GLU A 8 92.454 50.065 16.465 1.00 60.04 O ATOM 55 CB GLU A 8 92.365 47.617 14.230 1.00 68.64 C ATOM 56 CG GLU A 8 92.021 46.537 15.253 1.00 75.19 C ATOM 57 CD GLU A 8 93.185 45.571 15.501 1.00 81.64 C ATOM 58 OE1 GLU A 8 94.152 45.563 14.698 1.00 83.35 O ATOM 59 OE2 GLU A 8 93.130 44.816 16.502 1.00 83.71 O ATOM 0 H GLU A 8 91.558 49.103 12.488 1.00 64.63 H new ATOM 0 HA GLU A 8 90.863 48.827 14.981 1.00 64.94 H new ATOM 0 HB2 GLU A 8 92.132 47.293 13.346 1.00 68.64 H new ATOM 0 HB3 GLU A 8 93.325 47.757 14.237 1.00 68.64 H new ATOM 0 HG2 GLU A 8 91.769 46.957 16.090 1.00 75.19 H new ATOM 0 HG3 GLU A 8 91.250 46.037 14.944 1.00 75.19 H new ATOM 60 N GLN A 9 93.503 50.567 14.539 1.00 58.29 N ATOM 61 CA GLN A 9 94.443 51.469 15.179 1.00 57.50 C ATOM 62 C GLN A 9 94.135 52.959 15.084 1.00 56.99 C ATOM 63 O GLN A 9 94.647 53.737 15.882 1.00 55.44 O ATOM 64 CB GLN A 9 95.833 51.213 14.626 1.00 59.17 C ATOM 65 CG GLN A 9 95.881 50.076 13.639 1.00 64.83 C ATOM 66 CD GLN A 9 96.598 48.861 14.195 1.00 70.83 C ATOM 67 OE1 GLN A 9 96.050 47.755 14.209 1.00 74.24 O ATOM 68 NE2 GLN A 9 97.833 49.060 14.660 1.00 71.66 N ATOM 0 H GLN A 9 93.593 50.502 13.686 1.00 58.29 H new ATOM 0 HA GLN A 9 94.371 51.265 16.125 1.00 57.50 H new ATOM 0 HB2 GLN A 9 96.157 52.020 14.196 1.00 59.17 H new ATOM 0 HB3 GLN A 9 96.436 51.021 15.361 1.00 59.17 H new ATOM 0 HG2 GLN A 9 94.977 49.829 13.389 1.00 64.83 H new ATOM 0 HG3 GLN A 9 96.328 50.371 12.830 1.00 64.83 H new ATOM 0 HE21 GLN A 9 98.181 49.846 14.633 1.00 71.66 H new ATOM 0 HE22 GLN A 9 98.281 48.402 14.987 1.00 71.66 H new ATOM 69 N ILE A 10 93.318 53.366 14.113 1.00 58.11 N ATOM 70 CA ILE A 10 92.976 54.784 13.963 1.00 56.87 C ATOM 71 C ILE A 10 92.145 55.227 15.164 1.00 60.44 C ATOM 72 O ILE A 10 90.920 55.383 15.087 1.00 62.32 O ATOM 73 CB ILE A 10 92.187 55.062 12.652 1.00 52.44 C ATOM 74 CG1 ILE A 10 93.104 54.900 11.443 1.00 49.21 C ATOM 75 CG2 ILE A 10 91.664 56.483 12.640 1.00 49.33 C ATOM 76 CD1 ILE A 10 93.143 53.491 10.889 1.00 49.40 C ATOM 0 H ILE A 10 92.953 52.844 13.535 1.00 58.11 H new ATOM 0 HA ILE A 10 93.804 55.288 13.916 1.00 56.87 H new ATOM 0 HB ILE A 10 91.451 54.432 12.611 1.00 52.44 H new ATOM 0 HG12 ILE A 10 92.813 55.506 10.743 1.00 49.21 H new ATOM 0 HG13 ILE A 10 94.003 55.166 11.692 1.00 49.21 H new ATOM 0 HG21 ILE A 10 91.175 56.641 11.817 1.00 49.33 H new ATOM 0 HG22 ILE A 10 91.073 56.617 13.398 1.00 49.33 H new ATOM 0 HG23 ILE A 10 92.408 57.102 12.697 1.00 49.33 H new ATOM 0 HD11 ILE A 10 93.742 53.459 10.126 1.00 49.40 H new ATOM 0 HD12 ILE A 10 93.461 52.882 11.574 1.00 49.40 H new ATOM 0 HD13 ILE A 10 92.252 53.228 10.611 1.00 49.40 H new ATOM 77 N ARG A 11 92.835 55.420 16.282 1.00 62.74 N ATOM 78 CA ARG A 11 92.203 55.842 17.518 1.00 65.08 C ATOM 79 C ARG A 11 91.784 57.308 17.433 1.00 65.39 C ATOM 80 O ARG A 11 90.946 57.762 18.208 1.00 67.18 O ATOM 81 CB ARG A 11 93.170 55.637 18.690 1.00 65.39 C ATOM 82 CG ARG A 11 92.685 54.643 19.744 1.00 69.75 C ATOM 83 CD ARG A 11 92.987 53.189 19.359 1.00 73.90 C ATOM 84 NE ARG A 11 94.418 52.944 19.180 1.00 77.74 N ATOM 85 CZ ARG A 11 94.953 51.753 18.917 1.00 78.48 C ATOM 86 NH1 ARG A 11 94.176 50.683 18.802 1.00 77.80 N ATOM 87 NH2 ARG A 11 96.265 51.630 18.760 1.00 78.75 N ATOM 0 H ARG A 11 93.686 55.309 16.342 1.00 62.74 H new ATOM 0 HA ARG A 11 91.408 55.305 17.662 1.00 65.08 H new ATOM 0 HB2 ARG A 11 94.022 55.332 18.342 1.00 65.39 H new ATOM 0 HB3 ARG A 11 93.328 56.493 19.118 1.00 65.39 H new ATOM 0 HG2 ARG A 11 93.107 54.844 20.594 1.00 69.75 H new ATOM 0 HG3 ARG A 11 91.729 54.750 19.870 1.00 69.75 H new ATOM 0 HD2 ARG A 11 92.644 52.597 20.047 1.00 73.90 H new ATOM 0 HD3 ARG A 11 92.519 52.971 18.538 1.00 73.90 H new ATOM 0 HE ARG A 11 94.951 53.616 19.249 1.00 77.74 H new ATOM 0 HH11 ARG A 11 93.325 50.758 18.897 1.00 77.80 H new ATOM 0 HH12 ARG A 11 94.524 49.915 18.632 1.00 77.80 H new ATOM 0 HH21 ARG A 11 96.773 52.321 18.828 1.00 78.75 H new ATOM 0 HH22 ARG A 11 96.607 50.860 18.590 1.00 78.75 H new ATOM 88 N SER A 12 92.352 58.041 16.479 1.00 65.56 N ATOM 89 CA SER A 12 92.037 59.464 16.323 1.00 65.42 C ATOM 90 C SER A 12 92.032 59.955 14.872 1.00 63.36 C ATOM 91 O SER A 12 92.590 59.321 13.981 1.00 62.97 O ATOM 92 CB SER A 12 93.031 60.306 17.133 1.00 66.43 C ATOM 93 OG SER A 12 94.297 60.361 16.492 1.00 63.76 O ATOM 0 H SER A 12 92.922 57.736 15.911 1.00 65.56 H new ATOM 0 HA SER A 12 91.131 59.571 16.653 1.00 65.42 H new ATOM 0 HB2 SER A 12 92.683 61.204 17.245 1.00 66.43 H new ATOM 0 HB3 SER A 12 93.131 59.928 18.021 1.00 66.43 H new ATOM 0 HG SER A 12 94.824 60.827 16.951 1.00 63.76 H new ATOM 94 N ILE A 13 91.410 61.103 14.647 1.00 61.16 N ATOM 95 CA ILE A 13 91.343 61.662 13.308 1.00 61.95 C ATOM 96 C ILE A 13 92.722 62.100 12.828 1.00 61.43 C ATOM 97 O ILE A 13 92.914 62.407 11.654 1.00 61.95 O ATOM 98 CB ILE A 13 90.371 62.861 13.258 1.00 61.60 C ATOM 99 CG1 ILE A 13 90.399 63.512 11.871 1.00 60.81 C ATOM 100 CG2 ILE A 13 90.722 63.853 14.342 1.00 64.97 C ATOM 101 CD1 ILE A 13 89.544 62.798 10.840 1.00 58.99 C ATOM 0 H ILE A 13 91.022 61.572 15.254 1.00 61.16 H new ATOM 0 HA ILE A 13 91.013 60.966 12.719 1.00 61.95 H new ATOM 0 HB ILE A 13 89.467 62.548 13.417 1.00 61.60 H new ATOM 0 HG12 ILE A 13 90.097 64.431 11.948 1.00 60.81 H new ATOM 0 HG13 ILE A 13 91.316 63.540 11.555 1.00 60.81 H new ATOM 0 HG21 ILE A 13 90.108 64.603 14.305 1.00 64.97 H new ATOM 0 HG22 ILE A 13 90.655 63.423 15.209 1.00 64.97 H new ATOM 0 HG23 ILE A 13 91.629 64.171 14.209 1.00 64.97 H new ATOM 0 HD11 ILE A 13 89.608 63.261 9.990 1.00 58.99 H new ATOM 0 HD12 ILE A 13 89.857 61.886 10.735 1.00 58.99 H new ATOM 0 HD13 ILE A 13 88.620 62.790 11.135 1.00 58.99 H new ATOM 102 N SER A 14 93.689 62.136 13.732 1.00 61.45 N ATOM 103 CA SER A 14 95.033 62.521 13.336 1.00 63.35 C ATOM 104 C SER A 14 95.763 61.243 12.993 1.00 62.14 C ATOM 105 O SER A 14 96.722 61.247 12.216 1.00 62.95 O ATOM 106 CB SER A 14 95.756 63.241 14.470 1.00 67.48 C ATOM 107 OG SER A 14 96.164 64.542 14.066 1.00 76.98 O ATOM 0 H SER A 14 93.592 61.945 14.565 1.00 61.45 H new ATOM 0 HA SER A 14 95.002 63.131 12.582 1.00 63.35 H new ATOM 0 HB2 SER A 14 95.172 63.306 15.241 1.00 67.48 H new ATOM 0 HB3 SER A 14 96.531 62.725 14.744 1.00 67.48 H new ATOM 0 HG SER A 14 96.558 64.923 14.703 1.00 76.98 H new ATOM 108 N ASP A 15 95.306 60.149 13.597 1.00 59.67 N ATOM 109 CA ASP A 15 95.892 58.840 13.345 1.00 57.27 C ATOM 110 C ASP A 15 95.617 58.605 11.864 1.00 52.69 C ATOM 111 O ASP A 15 96.482 58.160 11.101 1.00 48.22 O ATOM 112 CB ASP A 15 95.180 57.760 14.179 1.00 61.63 C ATOM 113 CG ASP A 15 95.560 57.793 15.660 1.00 64.20 C ATOM 114 OD1 ASP A 15 96.540 58.480 16.016 1.00 65.90 O ATOM 115 OD2 ASP A 15 94.871 57.125 16.469 1.00 65.19 O ATOM 0 H ASP A 15 94.654 60.146 14.158 1.00 59.67 H new ATOM 0 HA ASP A 15 96.833 58.801 13.576 1.00 57.27 H new ATOM 0 HB2 ASP A 15 94.221 57.875 14.095 1.00 61.63 H new ATOM 0 HB3 ASP A 15 95.394 56.886 13.816 1.00 61.63 H new ATOM 116 N LEU A 16 94.392 58.942 11.480 1.00 48.40 N ATOM 117 CA LEU A 16 93.919 58.794 10.112 1.00 47.07 C ATOM 118 C LEU A 16 94.843 59.444 9.092 1.00 47.60 C ATOM 119 O LEU A 16 95.205 58.815 8.094 1.00 49.27 O ATOM 120 CB LEU A 16 92.528 59.407 9.979 1.00 42.52 C ATOM 121 CG LEU A 16 91.403 58.557 9.411 1.00 35.49 C ATOM 122 CD1 LEU A 16 90.233 59.456 9.175 1.00 36.71 C ATOM 123 CD2 LEU A 16 91.811 57.907 8.130 1.00 34.55 C ATOM 0 H LEU A 16 93.804 59.268 12.016 1.00 48.40 H new ATOM 0 HA LEU A 16 93.898 57.842 9.925 1.00 47.07 H new ATOM 0 HB2 LEU A 16 92.254 59.706 10.860 1.00 42.52 H new ATOM 0 HB3 LEU A 16 92.608 60.198 9.423 1.00 42.52 H new ATOM 0 HG LEU A 16 91.179 57.850 10.036 1.00 35.49 H new ATOM 0 HD11 LEU A 16 89.496 58.940 8.811 1.00 36.71 H new ATOM 0 HD12 LEU A 16 89.961 59.860 10.014 1.00 36.71 H new ATOM 0 HD13 LEU A 16 90.481 60.152 8.547 1.00 36.71 H new ATOM 0 HD21 LEU A 16 91.077 57.372 7.790 1.00 34.55 H new ATOM 0 HD22 LEU A 16 92.042 58.589 7.480 1.00 34.55 H new ATOM 0 HD23 LEU A 16 92.580 57.337 8.287 1.00 34.55 H new ATOM 124 N HIS A 17 95.213 60.702 9.349 1.00 46.60 N ATOM 125 CA HIS A 17 96.082 61.476 8.454 1.00 44.03 C ATOM 126 C HIS A 17 97.539 61.042 8.505 1.00 44.36 C ATOM 127 O HIS A 17 98.277 61.151 7.518 1.00 42.32 O ATOM 128 CB HIS A 17 95.973 62.959 8.783 1.00 39.98 C ATOM 129 CG HIS A 17 94.667 63.565 8.376 1.00 36.56 C ATOM 130 ND1 HIS A 17 94.397 63.959 7.081 1.00 36.42 N ATOM 131 CD2 HIS A 17 93.549 63.835 9.089 1.00 35.52 C ATOM 132 CE1 HIS A 17 93.170 64.441 7.014 1.00 34.73 C ATOM 133 NE2 HIS A 17 92.633 64.379 8.217 1.00 37.88 N ATOM 0 H HIS A 17 94.966 61.133 10.051 1.00 46.60 H new ATOM 0 HA HIS A 17 95.772 61.306 7.550 1.00 44.03 H new ATOM 0 HB2 HIS A 17 96.095 63.081 9.738 1.00 39.98 H new ATOM 0 HB3 HIS A 17 96.694 63.435 8.342 1.00 39.98 H new ATOM 0 HD2 HIS A 17 93.423 63.682 9.998 1.00 35.52 H new ATOM 0 HE1 HIS A 17 92.755 64.768 6.249 1.00 34.73 H new ATOM 0 HE2 HIS A 17 91.839 64.637 8.423 1.00 37.88 H new ATOM 134 N GLN A 18 97.950 60.553 9.666 1.00 46.28 N ATOM 135 CA GLN A 18 99.306 60.071 9.828 1.00 48.35 C ATOM 136 C GLN A 18 99.446 58.833 8.961 1.00 46.45 C ATOM 137 O GLN A 18 100.485 58.605 8.351 1.00 45.55 O ATOM 138 CB GLN A 18 99.570 59.697 11.284 1.00 53.59 C ATOM 139 CG GLN A 18 100.922 60.148 11.772 1.00 60.68 C ATOM 140 CD GLN A 18 101.001 61.655 11.866 1.00 65.75 C ATOM 141 OE1 GLN A 18 101.820 62.299 11.196 1.00 69.06 O ATOM 142 NE2 GLN A 18 100.139 62.235 12.700 1.00 67.92 N ATOM 0 H GLN A 18 97.459 60.493 10.369 1.00 46.28 H new ATOM 0 HA GLN A 18 99.940 60.759 9.572 1.00 48.35 H new ATOM 0 HB2 GLN A 18 98.882 60.090 11.843 1.00 53.59 H new ATOM 0 HB3 GLN A 18 99.500 58.735 11.383 1.00 53.59 H new ATOM 0 HG2 GLN A 18 101.100 59.758 12.642 1.00 60.68 H new ATOM 0 HG3 GLN A 18 101.610 59.823 11.170 1.00 60.68 H new ATOM 0 HE21 GLN A 18 99.585 61.754 13.149 1.00 67.92 H new ATOM 0 HE22 GLN A 18 100.137 63.090 12.790 1.00 67.92 H new ATOM 143 N THR A 19 98.376 58.046 8.908 1.00 45.11 N ATOM 144 CA THR A 19 98.360 56.809 8.139 1.00 44.97 C ATOM 145 C THR A 19 98.276 57.040 6.645 1.00 41.67 C ATOM 146 O THR A 19 99.004 56.425 5.870 1.00 42.62 O ATOM 147 CB THR A 19 97.190 55.930 8.563 1.00 47.07 C ATOM 148 OG1 THR A 19 97.275 55.682 9.971 1.00 51.36 O ATOM 149 CG2 THR A 19 97.228 54.606 7.815 1.00 47.78 C ATOM 0 H THR A 19 97.639 58.215 9.318 1.00 45.11 H new ATOM 0 HA THR A 19 99.203 56.368 8.326 1.00 44.97 H new ATOM 0 HB THR A 19 96.359 56.385 8.355 1.00 47.07 H new ATOM 0 HG1 THR A 19 97.055 56.375 10.392 1.00 51.36 H new ATOM 0 HG21 THR A 19 96.479 54.056 8.093 1.00 47.78 H new ATOM 0 HG22 THR A 19 97.171 54.771 6.861 1.00 47.78 H new ATOM 0 HG23 THR A 19 98.058 54.146 8.014 1.00 47.78 H new ATOM 150 N LEU A 20 97.374 57.917 6.241 1.00 38.68 N ATOM 151 CA LEU A 20 97.216 58.242 4.835 1.00 38.07 C ATOM 152 C LEU A 20 98.541 58.776 4.314 1.00 37.80 C ATOM 153 O LEU A 20 99.006 58.385 3.244 1.00 39.38 O ATOM 154 CB LEU A 20 96.133 59.301 4.662 1.00 36.59 C ATOM 155 CG LEU A 20 94.824 58.862 4.014 1.00 37.84 C ATOM 156 CD1 LEU A 20 94.666 57.332 4.091 1.00 37.09 C ATOM 157 CD2 LEU A 20 93.686 59.592 4.708 1.00 35.95 C ATOM 0 H LEU A 20 96.840 58.338 6.768 1.00 38.68 H new ATOM 0 HA LEU A 20 96.956 57.449 4.341 1.00 38.07 H new ATOM 0 HB2 LEU A 20 95.927 59.666 5.537 1.00 36.59 H new ATOM 0 HB3 LEU A 20 96.502 60.025 4.132 1.00 36.59 H new ATOM 0 HG LEU A 20 94.817 59.090 3.071 1.00 37.84 H new ATOM 0 HD11 LEU A 20 93.829 57.072 3.675 1.00 37.09 H new ATOM 0 HD12 LEU A 20 95.404 56.907 3.627 1.00 37.09 H new ATOM 0 HD13 LEU A 20 94.665 57.053 5.020 1.00 37.09 H new ATOM 0 HD21 LEU A 20 92.842 59.327 4.311 1.00 35.95 H new ATOM 0 HD22 LEU A 20 93.684 59.366 5.651 1.00 35.95 H new ATOM 0 HD23 LEU A 20 93.805 60.549 4.605 1.00 35.95 H new ATOM 158 N LYS A 21 99.144 59.674 5.083 1.00 37.36 N ATOM 159 CA LYS A 21 100.417 60.256 4.704 1.00 38.59 C ATOM 160 C LYS A 21 101.405 59.172 4.293 1.00 39.39 C ATOM 161 O LYS A 21 102.028 59.282 3.244 1.00 40.36 O ATOM 162 CB LYS A 21 100.999 61.062 5.864 1.00 40.25 C ATOM 163 CG LYS A 21 102.213 61.911 5.489 1.00 42.89 C ATOM 164 CD LYS A 21 102.278 63.200 6.311 1.00 45.67 C ATOM 165 CE LYS A 21 103.570 63.999 6.057 1.00 51.24 C ATOM 166 NZ LYS A 21 104.033 64.801 7.250 1.00 47.87 N ATOM 0 H LYS A 21 98.829 59.959 5.831 1.00 37.36 H new ATOM 0 HA LYS A 21 100.264 60.845 3.949 1.00 38.59 H new ATOM 0 HB2 LYS A 21 100.308 61.643 6.220 1.00 40.25 H new ATOM 0 HB3 LYS A 21 101.251 60.452 6.575 1.00 40.25 H new ATOM 0 HG2 LYS A 21 103.023 61.397 5.629 1.00 42.89 H new ATOM 0 HG3 LYS A 21 102.176 62.131 4.545 1.00 42.89 H new ATOM 0 HD2 LYS A 21 101.511 63.755 6.098 1.00 45.67 H new ATOM 0 HD3 LYS A 21 102.217 62.982 7.254 1.00 45.67 H new ATOM 0 HE2 LYS A 21 104.275 63.385 5.797 1.00 51.24 H new ATOM 0 HE3 LYS A 21 103.427 64.600 5.309 1.00 51.24 H new ATOM 0 HZ1 LYS A 21 104.526 65.488 6.973 1.00 47.87 H new ATOM 0 HZ2 LYS A 21 103.326 65.105 7.697 1.00 47.87 H new ATOM 0 HZ3 LYS A 21 104.521 64.283 7.785 1.00 47.87 H new ATOM 167 N LYS A 22 101.543 58.124 5.104 1.00 40.90 N ATOM 168 CA LYS A 22 102.483 57.044 4.781 1.00 44.94 C ATOM 169 C LYS A 22 101.980 56.096 3.698 1.00 45.67 C ATOM 170 O LYS A 22 102.721 55.741 2.778 1.00 46.51 O ATOM 171 CB LYS A 22 102.826 56.196 6.020 1.00 46.06 C ATOM 172 CG LYS A 22 102.351 56.751 7.337 1.00 54.01 C ATOM 173 CD LYS A 22 103.297 56.361 8.468 1.00 59.99 C ATOM 174 CE LYS A 22 103.146 57.282 9.691 1.00 64.32 C ATOM 175 NZ LYS A 22 103.038 58.737 9.351 1.00 64.89 N ATOM 0 H LYS A 22 101.108 58.017 5.838 1.00 40.90 H new ATOM 0 HA LYS A 22 103.270 57.504 4.450 1.00 44.94 H new ATOM 0 HB2 LYS A 22 102.445 55.312 5.903 1.00 46.06 H new ATOM 0 HB3 LYS A 22 103.789 56.087 6.061 1.00 46.06 H new ATOM 0 HG2 LYS A 22 102.289 57.717 7.281 1.00 54.01 H new ATOM 0 HG3 LYS A 22 101.459 56.421 7.528 1.00 54.01 H new ATOM 0 HD2 LYS A 22 103.123 55.444 8.732 1.00 59.99 H new ATOM 0 HD3 LYS A 22 104.212 56.396 8.149 1.00 59.99 H new ATOM 0 HE2 LYS A 22 102.357 57.016 10.188 1.00 64.32 H new ATOM 0 HE3 LYS A 22 103.908 57.152 10.277 1.00 64.32 H new ATOM 0 HZ1 LYS A 22 103.312 59.225 10.043 1.00 64.89 H new ATOM 0 HZ2 LYS A 22 103.547 58.915 8.643 1.00 64.89 H new ATOM 0 HZ3 LYS A 22 102.191 58.936 9.165 1.00 64.89 H new ATOM 176 N GLU A 23 100.723 55.681 3.821 1.00 44.98 N ATOM 177 CA GLU A 23 100.134 54.734 2.888 1.00 40.79 C ATOM 178 C GLU A 23 100.070 55.256 1.476 1.00 39.36 C ATOM 179 O GLU A 23 100.352 54.521 0.532 1.00 42.61 O ATOM 180 CB GLU A 23 98.740 54.347 3.358 1.00 41.08 C ATOM 181 CG GLU A 23 98.740 53.638 4.694 1.00 44.74 C ATOM 182 CD GLU A 23 99.432 52.304 4.615 1.00 49.44 C ATOM 183 OE1 GLU A 23 99.666 51.847 3.480 1.00 54.32 O ATOM 184 OE2 GLU A 23 99.743 51.710 5.671 1.00 51.93 O ATOM 0 H GLU A 23 100.192 55.940 4.445 1.00 44.98 H new ATOM 0 HA GLU A 23 100.713 53.956 2.874 1.00 40.79 H new ATOM 0 HB2 GLU A 23 98.193 55.145 3.422 1.00 41.08 H new ATOM 0 HB3 GLU A 23 98.328 53.773 2.693 1.00 41.08 H new ATOM 0 HG2 GLU A 23 99.181 54.193 5.356 1.00 44.74 H new ATOM 0 HG3 GLU A 23 97.826 53.512 4.994 1.00 44.74 H new ATOM 185 N LEU A 24 99.708 56.524 1.329 1.00 34.10 N ATOM 186 CA LEU A 24 99.604 57.123 0.010 1.00 29.52 C ATOM 187 C LEU A 24 100.887 57.876 -0.309 1.00 29.44 C ATOM 188 O LEU A 24 101.009 58.526 -1.347 1.00 31.27 O ATOM 189 CB LEU A 24 98.392 58.067 -0.044 1.00 28.27 C ATOM 190 CG LEU A 24 96.974 57.490 0.105 1.00 22.66 C ATOM 191 CD1 LEU A 24 95.967 58.572 -0.164 1.00 22.54 C ATOM 192 CD2 LEU A 24 96.748 56.365 -0.866 1.00 20.81 C ATOM 0 H LEU A 24 99.519 57.053 1.980 1.00 34.10 H new ATOM 0 HA LEU A 24 99.478 56.427 -0.653 1.00 29.52 H new ATOM 0 HB2 LEU A 24 98.510 58.731 0.653 1.00 28.27 H new ATOM 0 HB3 LEU A 24 98.427 58.536 -0.892 1.00 28.27 H new ATOM 0 HG LEU A 24 96.875 57.150 1.008 1.00 22.66 H new ATOM 0 HD11 LEU A 24 95.071 58.211 -0.071 1.00 22.54 H new ATOM 0 HD12 LEU A 24 96.091 59.295 0.470 1.00 22.54 H new ATOM 0 HD13 LEU A 24 96.087 58.909 -1.066 1.00 22.54 H new ATOM 0 HD21 LEU A 24 95.849 56.017 -0.755 1.00 20.81 H new ATOM 0 HD22 LEU A 24 96.857 56.693 -1.772 1.00 20.81 H new ATOM 0 HD23 LEU A 24 97.391 55.658 -0.698 1.00 20.81 H new ATOM 193 N ALA A 25 101.851 57.771 0.598 1.00 30.46 N ATOM 194 CA ALA A 25 103.142 58.438 0.451 1.00 28.59 C ATOM 195 C ALA A 25 102.968 59.917 0.080 1.00 27.30 C ATOM 196 O ALA A 25 103.655 60.428 -0.796 1.00 29.90 O ATOM 197 CB ALA A 25 103.984 57.705 -0.598 1.00 21.58 C ATOM 0 H ALA A 25 101.776 57.309 1.320 1.00 30.46 H new ATOM 0 HA ALA A 25 103.604 58.409 1.303 1.00 28.59 H new ATOM 0 HB1 ALA A 25 104.841 58.150 -0.694 1.00 21.58 H new ATOM 0 HB2 ALA A 25 104.126 56.788 -0.316 1.00 21.58 H new ATOM 0 HB3 ALA A 25 103.519 57.713 -1.449 1.00 21.58 H new ATOM 198 N LEU A 26 102.040 60.592 0.748 1.00 26.84 N ATOM 199 CA LEU A 26 101.786 62.003 0.493 1.00 30.24 C ATOM 200 C LEU A 26 103.046 62.855 0.712 1.00 32.18 C ATOM 201 O LEU A 26 104.049 62.366 1.220 1.00 32.18 O ATOM 202 CB LEU A 26 100.655 62.488 1.392 1.00 29.07 C ATOM 203 CG LEU A 26 99.221 62.269 0.907 1.00 28.35 C ATOM 204 CD1 LEU A 26 99.201 61.382 -0.329 1.00 25.60 C ATOM 205 CD2 LEU A 26 98.419 61.649 2.049 1.00 26.82 C ATOM 0 H LEU A 26 101.542 60.247 1.359 1.00 26.84 H new ATOM 0 HA LEU A 26 101.528 62.102 -0.437 1.00 30.24 H new ATOM 0 HB2 LEU A 26 100.749 62.051 2.253 1.00 29.07 H new ATOM 0 HB3 LEU A 26 100.778 63.439 1.541 1.00 29.07 H new ATOM 0 HG LEU A 26 98.821 63.116 0.654 1.00 28.35 H new ATOM 0 HD11 LEU A 26 98.285 61.255 -0.621 1.00 25.60 H new ATOM 0 HD12 LEU A 26 99.711 61.804 -1.038 1.00 25.60 H new ATOM 0 HD13 LEU A 26 99.595 60.521 -0.116 1.00 25.60 H new ATOM 0 HD21 LEU A 26 97.505 61.502 1.760 1.00 26.82 H new ATOM 0 HD22 LEU A 26 98.818 60.802 2.302 1.00 26.82 H new ATOM 0 HD23 LEU A 26 98.424 62.249 2.811 1.00 26.82 H new ATOM 206 N PRO A 27 102.995 64.149 0.368 1.00 33.38 N ATOM 207 CA PRO A 27 104.180 64.980 0.548 1.00 36.10 C ATOM 208 C PRO A 27 104.556 65.174 1.994 1.00 41.51 C ATOM 209 O PRO A 27 103.715 65.060 2.876 1.00 42.44 O ATOM 210 CB PRO A 27 103.803 66.299 -0.115 1.00 37.02 C ATOM 211 CG PRO A 27 102.538 66.040 -0.846 1.00 36.48 C ATOM 212 CD PRO A 27 101.865 64.928 -0.152 1.00 34.84 C ATOM 0 HA PRO A 27 104.967 64.568 0.158 1.00 36.10 H new ATOM 0 HB2 PRO A 27 103.685 66.999 0.546 1.00 37.02 H new ATOM 0 HB3 PRO A 27 104.500 66.595 -0.721 1.00 37.02 H new ATOM 0 HG2 PRO A 27 101.977 66.831 -0.853 1.00 36.48 H new ATOM 0 HG3 PRO A 27 102.716 65.810 -1.771 1.00 36.48 H new ATOM 0 HD2 PRO A 27 101.286 65.244 0.559 1.00 34.84 H new ATOM 0 HD3 PRO A 27 101.314 64.406 -0.756 1.00 34.84 H new ATOM 213 N GLU A 28 105.827 65.486 2.229 1.00 47.22 N ATOM 214 CA GLU A 28 106.345 65.715 3.581 1.00 51.41 C ATOM 215 C GLU A 28 105.596 66.827 4.317 1.00 50.52 C ATOM 216 O GLU A 28 105.477 66.793 5.534 1.00 52.65 O ATOM 217 CB GLU A 28 107.833 66.068 3.519 1.00 57.72 C ATOM 218 CG GLU A 28 108.640 65.689 4.762 1.00 67.25 C ATOM 219 CD GLU A 28 110.065 66.261 4.745 1.00 74.57 C ATOM 220 OE1 GLU A 28 110.230 67.466 5.055 1.00 78.46 O ATOM 221 OE2 GLU A 28 111.017 65.509 4.423 1.00 77.41 O ATOM 0 H GLU A 28 106.417 65.572 1.609 1.00 47.22 H new ATOM 0 HA GLU A 28 106.212 64.891 4.076 1.00 51.41 H new ATOM 0 HB2 GLU A 28 108.224 65.627 2.749 1.00 57.72 H new ATOM 0 HB3 GLU A 28 107.919 67.023 3.373 1.00 57.72 H new ATOM 0 HG2 GLU A 28 108.177 66.008 5.552 1.00 67.25 H new ATOM 0 HG3 GLU A 28 108.685 64.722 4.831 1.00 67.25 H new ATOM 222 N TYR A 29 105.091 67.808 3.579 1.00 48.03 N ATOM 223 CA TYR A 29 104.362 68.911 4.179 1.00 44.76 C ATOM 224 C TYR A 29 102.865 68.663 4.301 1.00 46.01 C ATOM 225 O TYR A 29 102.130 69.578 4.674 1.00 47.28 O ATOM 226 CB TYR A 29 104.569 70.177 3.363 1.00 42.31 C ATOM 227 CG TYR A 29 104.599 69.932 1.879 1.00 39.75 C ATOM 228 CD1 TYR A 29 105.761 69.500 1.256 1.00 39.07 C ATOM 229 CD2 TYR A 29 103.470 70.130 1.094 1.00 40.39 C ATOM 230 CE1 TYR A 29 105.805 69.269 -0.108 1.00 35.43 C ATOM 231 CE2 TYR A 29 103.502 69.902 -0.278 1.00 39.10 C ATOM 232 CZ TYR A 29 104.678 69.471 -0.870 1.00 37.54 C ATOM 233 OH TYR A 29 104.734 69.238 -2.229 1.00 39.61 O ATOM 0 H TYR A 29 105.162 67.851 2.723 1.00 48.03 H new ATOM 0 HA TYR A 29 104.718 69.004 5.076 1.00 44.76 H new ATOM 0 HB2 TYR A 29 103.858 70.805 3.566 1.00 42.31 H new ATOM 0 HB3 TYR A 29 105.402 70.595 3.632 1.00 42.31 H new ATOM 0 HD1 TYR A 29 106.527 69.363 1.766 1.00 39.07 H new ATOM 0 HD2 TYR A 29 102.681 70.419 1.492 1.00 40.39 H new ATOM 0 HE1 TYR A 29 106.593 68.979 -0.507 1.00 35.43 H new ATOM 0 HE2 TYR A 29 102.740 70.038 -0.794 1.00 39.10 H new ATOM 0 HH TYR A 29 103.984 69.398 -2.572 1.00 39.61 H new ATOM 234 N TYR A 30 102.406 67.455 3.982 1.00 46.08 N ATOM 235 CA TYR A 30 100.977 67.158 4.076 1.00 48.05 C ATOM 236 C TYR A 30 100.391 67.813 5.336 1.00 51.23 C ATOM 237 O TYR A 30 100.753 67.458 6.471 1.00 52.43 O ATOM 238 CB TYR A 30 100.737 65.643 4.117 1.00 45.06 C ATOM 239 CG TYR A 30 99.274 65.279 4.249 1.00 40.60 C ATOM 240 CD1 TYR A 30 98.357 65.667 3.283 1.00 36.08 C ATOM 241 CD2 TYR A 30 98.804 64.589 5.368 1.00 41.52 C ATOM 242 CE1 TYR A 30 97.015 65.386 3.427 1.00 37.68 C ATOM 243 CE2 TYR A 30 97.457 64.298 5.523 1.00 40.26 C ATOM 244 CZ TYR A 30 96.566 64.700 4.551 1.00 39.86 C ATOM 245 OH TYR A 30 95.221 64.422 4.698 1.00 40.08 O ATOM 0 H TYR A 30 102.896 66.802 3.713 1.00 46.08 H new ATOM 0 HA TYR A 30 100.536 67.517 3.290 1.00 48.05 H new ATOM 0 HB2 TYR A 30 101.093 65.242 3.309 1.00 45.06 H new ATOM 0 HB3 TYR A 30 101.228 65.263 4.862 1.00 45.06 H new ATOM 0 HD1 TYR A 30 98.652 66.123 2.528 1.00 36.08 H new ATOM 0 HD2 TYR A 30 99.407 64.319 6.023 1.00 41.52 H new ATOM 0 HE1 TYR A 30 96.410 65.655 2.773 1.00 37.68 H new ATOM 0 HE2 TYR A 30 97.158 63.837 6.274 1.00 40.26 H new ATOM 0 HH TYR A 30 95.075 64.146 5.478 1.00 40.08 H new ATOM 246 N GLY A 31 99.486 68.768 5.126 1.00 51.08 N ATOM 247 CA GLY A 31 98.886 69.488 6.239 1.00 52.49 C ATOM 248 C GLY A 31 97.848 68.762 7.071 1.00 52.83 C ATOM 249 O GLY A 31 97.273 69.349 7.987 1.00 54.69 O ATOM 0 H GLY A 31 99.209 69.011 4.349 1.00 51.08 H new ATOM 0 HA2 GLY A 31 99.600 69.769 6.832 1.00 52.49 H new ATOM 0 HA3 GLY A 31 98.476 70.293 5.887 1.00 52.49 H new ATOM 250 N GLU A 32 97.598 67.496 6.764 1.00 50.82 N ATOM 251 CA GLU A 32 96.620 66.734 7.512 1.00 47.01 C ATOM 252 C GLU A 32 95.302 67.490 7.596 1.00 48.21 C ATOM 253 O GLU A 32 94.891 67.931 8.665 1.00 49.63 O ATOM 254 CB GLU A 32 97.153 66.445 8.901 1.00 42.79 C ATOM 255 CG GLU A 32 98.601 66.081 8.891 1.00 44.98 C ATOM 256 CD GLU A 32 99.036 65.458 10.184 1.00 51.66 C ATOM 257 OE1 GLU A 32 98.331 65.639 11.206 1.00 55.37 O ATOM 258 OE2 GLU A 32 100.086 64.784 10.180 1.00 53.06 O ATOM 0 H GLU A 32 97.984 67.064 6.128 1.00 50.82 H new ATOM 0 HA GLU A 32 96.458 65.895 7.053 1.00 47.01 H new ATOM 0 HB2 GLU A 32 97.022 67.224 9.464 1.00 42.79 H new ATOM 0 HB3 GLU A 32 96.643 65.721 9.296 1.00 42.79 H new ATOM 0 HG2 GLU A 32 98.773 65.464 8.162 1.00 44.98 H new ATOM 0 HG3 GLU A 32 99.132 66.875 8.722 1.00 44.98 H new ATOM 259 N ASN A 33 94.660 67.660 6.448 1.00 46.06 N ATOM 260 CA ASN A 33 93.371 68.315 6.381 1.00 45.87 C ATOM 261 C ASN A 33 92.729 67.949 5.055 1.00 44.85 C ATOM 262 O ASN A 33 93.415 67.765 4.057 1.00 45.07 O ATOM 263 CB ASN A 33 93.507 69.833 6.522 1.00 50.97 C ATOM 264 CG ASN A 33 94.236 70.468 5.363 1.00 56.66 C ATOM 265 OD1 ASN A 33 93.653 71.227 4.575 1.00 54.82 O ATOM 266 ND2 ASN A 33 95.526 70.172 5.255 1.00 59.28 N ATOM 0 H ASN A 33 94.963 67.397 5.687 1.00 46.06 H new ATOM 0 HA ASN A 33 92.814 68.017 7.117 1.00 45.87 H new ATOM 0 HB2 ASN A 33 92.624 70.227 6.597 1.00 50.97 H new ATOM 0 HB3 ASN A 33 93.979 70.036 7.345 1.00 50.97 H new ATOM 0 HD21 ASN A 33 95.993 70.512 4.618 1.00 59.28 H new ATOM 0 HD22 ASN A 33 95.894 69.641 5.822 1.00 59.28 H new ATOM 267 N LEU A 34 91.408 67.827 5.058 1.00 45.66 N ATOM 268 CA LEU A 34 90.653 67.454 3.865 1.00 47.35 C ATOM 269 C LEU A 34 91.078 68.277 2.659 1.00 50.08 C ATOM 270 O LEU A 34 91.105 67.791 1.527 1.00 49.59 O ATOM 271 CB LEU A 34 89.139 67.617 4.107 1.00 42.83 C ATOM 272 CG LEU A 34 88.457 66.783 5.213 1.00 42.65 C ATOM 273 CD1 LEU A 34 86.952 66.863 5.028 1.00 40.37 C ATOM 274 CD2 LEU A 34 88.907 65.323 5.178 1.00 39.29 C ATOM 0 H LEU A 34 90.920 67.958 5.754 1.00 45.66 H new ATOM 0 HA LEU A 34 90.845 66.522 3.678 1.00 47.35 H new ATOM 0 HB2 LEU A 34 88.974 68.552 4.304 1.00 42.83 H new ATOM 0 HB3 LEU A 34 88.687 67.419 3.272 1.00 42.83 H new ATOM 0 HG LEU A 34 88.712 67.146 6.075 1.00 42.65 H new ATOM 0 HD11 LEU A 34 86.513 66.342 5.718 1.00 40.37 H new ATOM 0 HD12 LEU A 34 86.667 67.788 5.091 1.00 40.37 H new ATOM 0 HD13 LEU A 34 86.714 66.510 4.156 1.00 40.37 H new ATOM 0 HD21 LEU A 34 88.461 64.830 5.884 1.00 39.29 H new ATOM 0 HD22 LEU A 34 88.679 64.935 4.319 1.00 39.29 H new ATOM 0 HD23 LEU A 34 89.867 65.277 5.309 1.00 39.29 H new ATOM 275 N ASP A 35 91.425 69.530 2.904 1.00 54.28 N ATOM 276 CA ASP A 35 91.843 70.379 1.811 1.00 56.54 C ATOM 277 C ASP A 35 93.159 69.883 1.239 1.00 56.13 C ATOM 278 O ASP A 35 93.346 69.859 0.023 1.00 59.33 O ATOM 279 CB ASP A 35 91.984 71.814 2.292 1.00 62.24 C ATOM 280 CG ASP A 35 90.841 72.684 1.827 1.00 69.03 C ATOM 281 OD1 ASP A 35 90.894 73.161 0.672 1.00 74.14 O ATOM 282 OD2 ASP A 35 89.886 72.884 2.611 1.00 69.98 O ATOM 0 H ASP A 35 91.425 69.900 3.680 1.00 54.28 H new ATOM 0 HA ASP A 35 91.170 70.349 1.113 1.00 56.54 H new ATOM 0 HB2 ASP A 35 92.025 71.826 3.261 1.00 62.24 H new ATOM 0 HB3 ASP A 35 92.821 72.182 1.968 1.00 62.24 H new ATOM 283 N ALA A 36 94.070 69.475 2.112 1.00 51.92 N ATOM 284 CA ALA A 36 95.361 68.984 1.655 1.00 48.36 C ATOM 285 C ALA A 36 95.244 67.578 1.082 1.00 45.75 C ATOM 286 O ALA A 36 96.089 67.142 0.296 1.00 44.82 O ATOM 287 CB ALA A 36 96.359 68.998 2.804 1.00 54.26 C ATOM 0 H ALA A 36 93.962 69.474 2.965 1.00 51.92 H new ATOM 0 HA ALA A 36 95.675 69.571 0.950 1.00 48.36 H new ATOM 0 HB1 ALA A 36 97.217 68.670 2.492 1.00 54.26 H new ATOM 0 HB2 ALA A 36 96.461 69.905 3.133 1.00 54.26 H new ATOM 0 HB3 ALA A 36 96.036 68.429 3.520 1.00 54.26 H new ATOM 288 N LEU A 37 94.203 66.856 1.481 1.00 42.05 N ATOM 289 CA LEU A 37 94.028 65.512 0.958 1.00 38.48 C ATOM 290 C LEU A 37 93.508 65.658 -0.449 1.00 37.36 C ATOM 291 O LEU A 37 94.023 65.039 -1.368 1.00 37.02 O ATOM 292 CB LEU A 37 93.038 64.711 1.804 1.00 35.15 C ATOM 293 CG LEU A 37 92.702 63.296 1.322 1.00 29.22 C ATOM 294 CD1 LEU A 37 93.908 62.382 1.467 1.00 24.00 C ATOM 295 CD2 LEU A 37 91.535 62.771 2.152 1.00 28.95 C ATOM 0 H LEU A 37 93.603 67.118 2.038 1.00 42.05 H new ATOM 0 HA LEU A 37 94.870 65.031 0.978 1.00 38.48 H new ATOM 0 HB2 LEU A 37 93.393 64.647 2.705 1.00 35.15 H new ATOM 0 HB3 LEU A 37 92.211 65.215 1.860 1.00 35.15 H new ATOM 0 HG LEU A 37 92.458 63.318 0.383 1.00 29.22 H new ATOM 0 HD11 LEU A 37 93.679 61.492 1.158 1.00 24.00 H new ATOM 0 HD12 LEU A 37 94.643 62.729 0.937 1.00 24.00 H new ATOM 0 HD13 LEU A 37 94.174 62.342 2.399 1.00 24.00 H new ATOM 0 HD21 LEU A 37 91.308 61.874 1.860 1.00 28.95 H new ATOM 0 HD22 LEU A 37 91.787 62.752 3.089 1.00 28.95 H new ATOM 0 HD23 LEU A 37 90.767 63.353 2.036 1.00 28.95 H new ATOM 296 N TRP A 38 92.492 66.494 -0.616 1.00 36.85 N ATOM 297 CA TRP A 38 91.923 66.710 -1.932 1.00 39.43 C ATOM 298 C TRP A 38 92.986 67.057 -2.961 1.00 41.48 C ATOM 299 O TRP A 38 93.070 66.432 -4.019 1.00 40.33 O ATOM 300 CB TRP A 38 90.917 67.841 -1.905 1.00 43.28 C ATOM 301 CG TRP A 38 90.351 68.065 -3.258 1.00 49.27 C ATOM 302 CD1 TRP A 38 90.723 69.023 -4.167 1.00 53.57 C ATOM 303 CD2 TRP A 38 89.355 67.270 -3.896 1.00 49.49 C ATOM 304 NE1 TRP A 38 90.015 68.866 -5.335 1.00 53.70 N ATOM 305 CE2 TRP A 38 89.169 67.796 -5.197 1.00 52.09 C ATOM 306 CE3 TRP A 38 88.602 66.159 -3.499 1.00 47.32 C ATOM 307 CZ2 TRP A 38 88.254 67.246 -6.100 1.00 53.38 C ATOM 308 CZ3 TRP A 38 87.695 65.615 -4.392 1.00 49.69 C ATOM 309 CH2 TRP A 38 87.528 66.158 -5.682 1.00 52.16 C ATOM 0 H TRP A 38 92.121 66.942 0.017 1.00 36.85 H new ATOM 0 HA TRP A 38 91.492 65.878 -2.182 1.00 39.43 H new ATOM 0 HB2 TRP A 38 90.204 67.633 -1.281 1.00 43.28 H new ATOM 0 HB3 TRP A 38 91.343 68.653 -1.588 1.00 43.28 H new ATOM 0 HD1 TRP A 38 91.361 69.682 -4.015 1.00 53.57 H new ATOM 0 HE1 TRP A 38 90.090 69.358 -6.036 1.00 53.70 H new ATOM 0 HE3 TRP A 38 88.709 65.793 -2.651 1.00 47.32 H new ATOM 0 HZ2 TRP A 38 88.141 67.603 -6.951 1.00 53.38 H new ATOM 0 HZ3 TRP A 38 87.187 64.879 -4.137 1.00 49.69 H new ATOM 0 HH2 TRP A 38 86.913 65.771 -6.262 1.00 52.16 H new ATOM 310 N ASP A 39 93.776 68.083 -2.651 1.00 44.57 N ATOM 311 CA ASP A 39 94.844 68.535 -3.538 1.00 47.97 C ATOM 312 C ASP A 39 95.793 67.383 -3.855 1.00 47.09 C ATOM 313 O ASP A 39 96.156 67.174 -5.015 1.00 48.26 O ATOM 314 CB ASP A 39 95.621 69.685 -2.886 1.00 55.54 C ATOM 315 CG ASP A 39 94.973 71.050 -3.127 1.00 63.60 C ATOM 316 OD1 ASP A 39 93.797 71.096 -3.568 1.00 64.62 O ATOM 317 OD2 ASP A 39 95.649 72.080 -2.872 1.00 68.32 O ATOM 0 H ASP A 39 93.708 68.535 -1.923 1.00 44.57 H new ATOM 0 HA ASP A 39 94.446 68.850 -4.365 1.00 47.97 H new ATOM 0 HB2 ASP A 39 95.685 69.526 -1.931 1.00 55.54 H new ATOM 0 HB3 ASP A 39 96.527 69.696 -3.233 1.00 55.54 H new ATOM 318 N CYS A 40 96.187 66.641 -2.818 1.00 45.16 N ATOM 319 CA CYS A 40 97.079 65.488 -2.957 1.00 42.64 C ATOM 320 C CYS A 40 96.449 64.437 -3.864 1.00 41.83 C ATOM 321 O CYS A 40 97.143 63.729 -4.597 1.00 39.31 O ATOM 322 CB CYS A 40 97.330 64.850 -1.596 1.00 43.84 C ATOM 323 SG CYS A 40 98.666 65.566 -0.649 1.00 47.76 S ATOM 0 H CYS A 40 95.942 66.794 -2.008 1.00 45.16 H new ATOM 0 HA CYS A 40 97.914 65.800 -3.340 1.00 42.64 H new ATOM 0 HB2 CYS A 40 96.515 64.909 -1.073 1.00 43.84 H new ATOM 0 HB3 CYS A 40 97.516 63.907 -1.727 1.00 43.84 H new ATOM 0 HG CYS A 40 98.233 66.427 0.066 1.00 47.76 H new ATOM 324 N LEU A 41 95.126 64.327 -3.782 1.00 40.79 N ATOM 325 CA LEU A 41 94.380 63.373 -4.584 1.00 40.64 C ATOM 326 C LEU A 41 94.326 63.896 -6.008 1.00 43.13 C ATOM 327 O LEU A 41 94.309 63.123 -6.965 1.00 45.88 O ATOM 328 CB LEU A 41 92.953 63.206 -4.032 1.00 33.42 C ATOM 329 CG LEU A 41 92.498 61.830 -3.509 1.00 29.15 C ATOM 330 CD1 LEU A 41 93.676 61.002 -3.024 1.00 27.89 C ATOM 331 CD2 LEU A 41 91.544 62.022 -2.363 1.00 27.94 C ATOM 0 H LEU A 41 94.639 64.805 -3.259 1.00 40.79 H new ATOM 0 HA LEU A 41 94.816 62.507 -4.558 1.00 40.64 H new ATOM 0 HB2 LEU A 41 92.845 63.842 -3.308 1.00 33.42 H new ATOM 0 HB3 LEU A 41 92.337 63.468 -4.734 1.00 33.42 H new ATOM 0 HG LEU A 41 92.068 61.361 -4.241 1.00 29.15 H new ATOM 0 HD11 LEU A 41 93.358 60.144 -2.702 1.00 27.89 H new ATOM 0 HD12 LEU A 41 94.297 60.862 -3.756 1.00 27.89 H new ATOM 0 HD13 LEU A 41 94.126 61.470 -2.304 1.00 27.89 H new ATOM 0 HD21 LEU A 41 91.257 61.157 -2.033 1.00 27.94 H new ATOM 0 HD22 LEU A 41 91.987 62.509 -1.651 1.00 27.94 H new ATOM 0 HD23 LEU A 41 90.772 62.525 -2.665 1.00 27.94 H new ATOM 332 N THR A 42 94.330 65.216 -6.145 1.00 45.33 N ATOM 333 CA THR A 42 94.245 65.837 -7.463 1.00 50.79 C ATOM 334 C THR A 42 95.567 66.249 -8.118 1.00 52.01 C ATOM 335 O THR A 42 95.574 67.113 -8.993 1.00 53.31 O ATOM 336 CB THR A 42 93.346 67.080 -7.416 1.00 53.00 C ATOM 337 OG1 THR A 42 94.022 68.124 -6.696 1.00 55.63 O ATOM 338 CG2 THR A 42 92.017 66.758 -6.726 1.00 52.41 C ATOM 0 H THR A 42 94.381 65.770 -5.489 1.00 45.33 H new ATOM 0 HA THR A 42 93.880 65.126 -8.013 1.00 50.79 H new ATOM 0 HB THR A 42 93.160 67.369 -8.323 1.00 53.00 H new ATOM 0 HG1 THR A 42 94.613 67.787 -6.203 1.00 55.63 H new ATOM 0 HG21 THR A 42 91.462 67.553 -6.705 1.00 52.41 H new ATOM 0 HG22 THR A 42 91.559 66.057 -7.216 1.00 52.41 H new ATOM 0 HG23 THR A 42 92.187 66.459 -5.819 1.00 52.41 H new ATOM 339 N GLY A 43 96.678 65.639 -7.717 1.00 51.76 N ATOM 340 CA GLY A 43 97.936 66.004 -8.329 1.00 48.60 C ATOM 341 C GLY A 43 99.153 65.213 -7.895 1.00 50.25 C ATOM 342 O GLY A 43 99.998 64.890 -8.732 1.00 54.10 O ATOM 0 H GLY A 43 96.721 65.030 -7.111 1.00 51.76 H new ATOM 0 HA2 GLY A 43 97.843 65.915 -9.290 1.00 48.60 H new ATOM 0 HA3 GLY A 43 98.102 66.942 -8.146 1.00 48.60 H new ATOM 343 N TRP A 44 99.257 64.891 -6.608 1.00 47.72 N ATOM 344 CA TRP A 44 100.419 64.161 -6.106 1.00 46.88 C ATOM 345 C TRP A 44 100.325 62.648 -6.260 1.00 46.93 C ATOM 346 O TRP A 44 101.197 62.028 -6.859 1.00 47.43 O ATOM 347 CB TRP A 44 100.651 64.525 -4.633 1.00 48.40 C ATOM 348 CG TRP A 44 101.874 63.902 -4.005 1.00 47.91 C ATOM 349 CD1 TRP A 44 101.958 62.665 -3.438 1.00 48.63 C ATOM 350 CD2 TRP A 44 103.190 64.479 -3.907 1.00 47.03 C ATOM 351 NE1 TRP A 44 103.241 62.430 -3.001 1.00 51.22 N ATOM 352 CE2 TRP A 44 104.015 63.527 -3.278 1.00 48.82 C ATOM 353 CE3 TRP A 44 103.746 65.701 -4.292 1.00 45.20 C ATOM 354 CZ2 TRP A 44 105.373 63.763 -3.027 1.00 48.01 C ATOM 355 CZ3 TRP A 44 105.097 65.931 -4.040 1.00 45.28 C ATOM 356 CH2 TRP A 44 105.891 64.967 -3.416 1.00 45.02 C ATOM 0 H TRP A 44 98.669 65.085 -6.011 1.00 47.72 H new ATOM 0 HA TRP A 44 101.171 64.434 -6.655 1.00 46.88 H new ATOM 0 HB2 TRP A 44 100.723 65.490 -4.560 1.00 48.40 H new ATOM 0 HB3 TRP A 44 99.871 64.259 -4.122 1.00 48.40 H new ATOM 0 HD1 TRP A 44 101.250 62.067 -3.358 1.00 48.63 H new ATOM 0 HE1 TRP A 44 103.514 61.711 -2.616 1.00 51.22 H new ATOM 0 HE3 TRP A 44 103.225 66.349 -4.709 1.00 45.20 H new ATOM 0 HZ2 TRP A 44 105.904 63.123 -2.610 1.00 48.01 H new ATOM 0 HZ3 TRP A 44 105.477 66.742 -4.292 1.00 45.28 H new ATOM 0 HH2 TRP A 44 106.790 65.147 -3.262 1.00 45.02 H new ATOM 357 N VAL A 45 99.264 62.063 -5.715 1.00 47.82 N ATOM 358 CA VAL A 45 99.041 60.622 -5.762 1.00 45.86 C ATOM 359 C VAL A 45 99.015 60.067 -7.177 1.00 49.60 C ATOM 360 O VAL A 45 98.481 60.693 -8.097 1.00 49.37 O ATOM 361 CB VAL A 45 97.714 60.262 -5.087 1.00 42.61 C ATOM 362 CG1 VAL A 45 97.428 58.797 -5.261 1.00 39.72 C ATOM 363 CG2 VAL A 45 97.765 60.630 -3.625 1.00 41.65 C ATOM 0 H VAL A 45 98.646 62.496 -5.303 1.00 47.82 H new ATOM 0 HA VAL A 45 99.791 60.224 -5.292 1.00 45.86 H new ATOM 0 HB VAL A 45 96.996 60.763 -5.504 1.00 42.61 H new ATOM 0 HG11 VAL A 45 96.587 58.578 -4.831 1.00 39.72 H new ATOM 0 HG12 VAL A 45 97.371 58.588 -6.207 1.00 39.72 H new ATOM 0 HG13 VAL A 45 98.141 58.278 -4.858 1.00 39.72 H new ATOM 0 HG21 VAL A 45 96.922 60.400 -3.204 1.00 41.65 H new ATOM 0 HG22 VAL A 45 98.485 60.144 -3.194 1.00 41.65 H new ATOM 0 HG23 VAL A 45 97.920 61.583 -3.536 1.00 41.65 H new ATOM 364 N GLU A 46 99.578 58.870 -7.331 1.00 54.66 N ATOM 365 CA GLU A 46 99.653 58.177 -8.620 1.00 56.91 C ATOM 366 C GLU A 46 98.631 57.055 -8.713 1.00 54.21 C ATOM 367 O GLU A 46 98.612 56.148 -7.881 1.00 52.71 O ATOM 368 CB GLU A 46 101.053 57.586 -8.821 1.00 63.98 C ATOM 369 CG GLU A 46 101.088 56.253 -9.568 1.00 75.95 C ATOM 370 CD GLU A 46 101.660 55.106 -8.730 1.00 82.20 C ATOM 371 OE1 GLU A 46 102.740 55.278 -8.116 1.00 81.78 O ATOM 372 OE2 GLU A 46 101.023 54.025 -8.693 1.00 86.75 O ATOM 0 H GLU A 46 99.932 58.431 -6.682 1.00 54.66 H new ATOM 0 HA GLU A 46 99.462 58.831 -9.311 1.00 56.91 H new ATOM 0 HB2 GLU A 46 101.594 58.228 -9.306 1.00 63.98 H new ATOM 0 HB3 GLU A 46 101.467 57.466 -7.952 1.00 63.98 H new ATOM 0 HG2 GLU A 46 100.189 56.023 -9.849 1.00 75.95 H new ATOM 0 HG3 GLU A 46 101.620 56.354 -10.373 1.00 75.95 H new ATOM 373 N TYR A 47 97.800 57.121 -9.745 1.00 51.58 N ATOM 374 CA TYR A 47 96.773 56.123 -9.976 1.00 49.56 C ATOM 375 C TYR A 47 97.258 55.119 -11.023 1.00 51.77 C ATOM 376 O TYR A 47 98.211 55.407 -11.750 1.00 55.36 O ATOM 377 CB TYR A 47 95.524 56.827 -10.461 1.00 46.54 C ATOM 378 CG TYR A 47 95.039 57.880 -9.499 1.00 46.95 C ATOM 379 CD1 TYR A 47 94.617 57.536 -8.218 1.00 45.96 C ATOM 380 CD2 TYR A 47 94.978 59.218 -9.877 1.00 48.32 C ATOM 381 CE1 TYR A 47 94.144 58.496 -7.340 1.00 47.18 C ATOM 382 CE2 TYR A 47 94.504 60.190 -9.004 1.00 47.39 C ATOM 383 CZ TYR A 47 94.089 59.822 -7.740 1.00 47.46 C ATOM 384 OH TYR A 47 93.615 60.777 -6.875 1.00 47.46 O ATOM 0 H TYR A 47 97.818 57.749 -10.332 1.00 51.58 H new ATOM 0 HA TYR A 47 96.579 55.642 -9.156 1.00 49.56 H new ATOM 0 HB2 TYR A 47 95.702 57.238 -11.321 1.00 46.54 H new ATOM 0 HB3 TYR A 47 94.822 56.173 -10.599 1.00 46.54 H new ATOM 0 HD1 TYR A 47 94.653 56.647 -7.948 1.00 45.96 H new ATOM 0 HD2 TYR A 47 95.259 59.466 -10.728 1.00 48.32 H new ATOM 0 HE1 TYR A 47 93.865 58.253 -6.487 1.00 47.18 H new ATOM 0 HE2 TYR A 47 94.467 61.081 -9.269 1.00 47.39 H new ATOM 0 HH TYR A 47 94.043 61.491 -6.984 1.00 47.46 H new ATOM 385 N PRO A 48 96.634 53.918 -11.104 1.00 51.23 N ATOM 386 CA PRO A 48 95.508 53.399 -10.307 1.00 46.73 C ATOM 387 C PRO A 48 95.800 53.244 -8.816 1.00 40.74 C ATOM 388 O PRO A 48 96.941 52.991 -8.408 1.00 39.79 O ATOM 389 CB PRO A 48 95.192 52.044 -10.959 1.00 47.91 C ATOM 390 CG PRO A 48 95.798 52.120 -12.317 1.00 49.31 C ATOM 391 CD PRO A 48 97.038 52.942 -12.132 1.00 50.53 C ATOM 0 HA PRO A 48 94.766 54.024 -10.318 1.00 46.73 H new ATOM 0 HB2 PRO A 48 95.568 51.311 -10.447 1.00 47.91 H new ATOM 0 HB3 PRO A 48 94.235 51.893 -11.009 1.00 47.91 H new ATOM 0 HG2 PRO A 48 96.008 51.237 -12.660 1.00 49.31 H new ATOM 0 HG3 PRO A 48 95.192 52.534 -12.951 1.00 49.31 H new ATOM 0 HD2 PRO A 48 97.788 52.401 -11.839 1.00 50.53 H new ATOM 0 HD3 PRO A 48 97.307 53.378 -12.956 1.00 50.53 H new ATOM 392 N LEU A 49 94.751 53.396 -8.017 1.00 33.83 N ATOM 393 CA LEU A 49 94.858 53.260 -6.575 1.00 30.56 C ATOM 394 C LEU A 49 93.684 52.434 -6.074 1.00 30.29 C ATOM 395 O LEU A 49 92.532 52.695 -6.425 1.00 34.39 O ATOM 396 CB LEU A 49 94.853 54.639 -5.906 1.00 26.97 C ATOM 397 CG LEU A 49 94.586 54.708 -4.403 1.00 21.58 C ATOM 398 CD1 LEU A 49 95.897 54.738 -3.677 1.00 23.02 C ATOM 399 CD2 LEU A 49 93.777 55.945 -4.068 1.00 20.21 C ATOM 0 H LEU A 49 93.959 53.581 -8.297 1.00 33.83 H new ATOM 0 HA LEU A 49 95.692 52.818 -6.352 1.00 30.56 H new ATOM 0 HB2 LEU A 49 95.714 55.054 -6.074 1.00 26.97 H new ATOM 0 HB3 LEU A 49 94.185 55.183 -6.352 1.00 26.97 H new ATOM 0 HG LEU A 49 94.078 53.928 -4.129 1.00 21.58 H new ATOM 0 HD11 LEU A 49 95.737 54.782 -2.721 1.00 23.02 H new ATOM 0 HD12 LEU A 49 96.400 53.935 -3.884 1.00 23.02 H new ATOM 0 HD13 LEU A 49 96.404 55.517 -3.956 1.00 23.02 H new ATOM 0 HD21 LEU A 49 93.615 55.977 -3.112 1.00 20.21 H new ATOM 0 HD22 LEU A 49 94.268 56.736 -4.338 1.00 20.21 H new ATOM 0 HD23 LEU A 49 92.929 55.915 -4.539 1.00 20.21 H new ATOM 400 N VAL A 50 93.983 51.411 -5.289 1.00 27.24 N ATOM 401 CA VAL A 50 92.947 50.576 -4.713 1.00 25.76 C ATOM 402 C VAL A 50 93.143 50.747 -3.207 1.00 27.54 C ATOM 403 O VAL A 50 94.202 50.381 -2.661 1.00 25.47 O ATOM 404 CB VAL A 50 93.123 49.101 -5.132 1.00 21.36 C ATOM 405 CG1 VAL A 50 94.548 48.852 -5.435 1.00 25.30 C ATOM 406 CG2 VAL A 50 92.639 48.152 -4.032 1.00 16.54 C ATOM 0 H VAL A 50 94.785 51.183 -5.077 1.00 27.24 H new ATOM 0 HA VAL A 50 92.057 50.825 -5.008 1.00 25.76 H new ATOM 0 HB VAL A 50 92.586 48.932 -5.922 1.00 21.36 H new ATOM 0 HG11 VAL A 50 94.666 47.926 -5.699 1.00 25.30 H new ATOM 0 HG12 VAL A 50 94.832 49.433 -6.158 1.00 25.30 H new ATOM 0 HG13 VAL A 50 95.083 49.033 -4.647 1.00 25.30 H new ATOM 0 HG21 VAL A 50 92.760 47.234 -4.320 1.00 16.54 H new ATOM 0 HG22 VAL A 50 93.151 48.307 -3.223 1.00 16.54 H new ATOM 0 HG23 VAL A 50 91.699 48.313 -3.856 1.00 16.54 H new ATOM 407 N LEU A 51 92.132 51.334 -2.558 1.00 25.73 N ATOM 408 CA LEU A 51 92.159 51.599 -1.119 1.00 29.97 C ATOM 409 C LEU A 51 91.303 50.631 -0.328 1.00 31.43 C ATOM 410 O LEU A 51 90.091 50.577 -0.535 1.00 32.77 O ATOM 411 CB LEU A 51 91.676 53.032 -0.836 1.00 28.45 C ATOM 412 CG LEU A 51 91.406 53.449 0.617 1.00 26.93 C ATOM 413 CD1 LEU A 51 92.608 54.214 1.166 1.00 22.92 C ATOM 414 CD2 LEU A 51 90.161 54.318 0.683 1.00 23.06 C ATOM 0 H LEU A 51 91.408 51.590 -2.945 1.00 25.73 H new ATOM 0 HA LEU A 51 93.079 51.485 -0.835 1.00 29.97 H new ATOM 0 HB2 LEU A 51 92.338 53.642 -1.198 1.00 28.45 H new ATOM 0 HB3 LEU A 51 90.858 53.171 -1.338 1.00 28.45 H new ATOM 0 HG LEU A 51 91.263 52.655 1.155 1.00 26.93 H new ATOM 0 HD11 LEU A 51 92.434 54.476 2.084 1.00 22.92 H new ATOM 0 HD12 LEU A 51 93.394 53.647 1.136 1.00 22.92 H new ATOM 0 HD13 LEU A 51 92.761 55.006 0.628 1.00 22.92 H new ATOM 0 HD21 LEU A 51 89.996 54.578 1.603 1.00 23.06 H new ATOM 0 HD22 LEU A 51 90.291 55.112 0.141 1.00 23.06 H new ATOM 0 HD23 LEU A 51 89.400 53.819 0.347 1.00 23.06 H new ATOM 415 N GLU A 52 91.927 49.877 0.577 1.00 33.22 N ATOM 416 CA GLU A 52 91.188 48.930 1.406 1.00 36.56 C ATOM 417 C GLU A 52 91.042 49.468 2.827 1.00 39.73 C ATOM 418 O GLU A 52 92.036 49.688 3.521 1.00 42.03 O ATOM 419 CB GLU A 52 91.882 47.571 1.465 1.00 30.60 C ATOM 420 CG GLU A 52 91.500 46.814 2.702 1.00 30.92 C ATOM 421 CD GLU A 52 91.631 45.350 2.530 1.00 36.60 C ATOM 422 OE1 GLU A 52 92.687 44.920 2.004 1.00 40.25 O ATOM 423 OE2 GLU A 52 90.677 44.637 2.923 1.00 39.21 O ATOM 0 H GLU A 52 92.774 49.899 0.725 1.00 33.22 H new ATOM 0 HA GLU A 52 90.314 48.817 1.000 1.00 36.56 H new ATOM 0 HB2 GLU A 52 91.647 47.052 0.680 1.00 30.60 H new ATOM 0 HB3 GLU A 52 92.844 47.696 1.444 1.00 30.60 H new ATOM 0 HG2 GLU A 52 92.060 47.102 3.440 1.00 30.92 H new ATOM 0 HG3 GLU A 52 90.584 47.029 2.940 1.00 30.92 H new ATOM 424 N TRP A 53 89.798 49.671 3.256 1.00 41.86 N ATOM 425 CA TRP A 53 89.520 50.176 4.592 1.00 41.80 C ATOM 426 C TRP A 53 88.924 49.064 5.440 1.00 43.84 C ATOM 427 O TRP A 53 87.709 48.865 5.430 1.00 44.44 O ATOM 428 CB TRP A 53 88.539 51.338 4.512 1.00 42.77 C ATOM 429 CG TRP A 53 88.679 52.348 5.627 1.00 48.35 C ATOM 430 CD1 TRP A 53 88.804 52.089 6.968 1.00 49.60 C ATOM 431 CD2 TRP A 53 88.634 53.779 5.503 1.00 48.20 C ATOM 432 NE1 TRP A 53 88.831 53.270 7.683 1.00 50.17 N ATOM 433 CE2 TRP A 53 88.728 54.322 6.808 1.00 48.85 C ATOM 434 CE3 TRP A 53 88.522 54.660 4.414 1.00 46.03 C ATOM 435 CZ2 TRP A 53 88.713 55.700 7.051 1.00 47.62 C ATOM 436 CZ3 TRP A 53 88.505 56.027 4.658 1.00 44.11 C ATOM 437 CH2 TRP A 53 88.599 56.534 5.966 1.00 46.14 C ATOM 0 H TRP A 53 89.097 49.520 2.781 1.00 41.86 H new ATOM 0 HA TRP A 53 90.346 50.484 4.996 1.00 41.80 H new ATOM 0 HB2 TRP A 53 88.659 51.791 3.663 1.00 42.77 H new ATOM 0 HB3 TRP A 53 87.635 50.986 4.520 1.00 42.77 H new ATOM 0 HD1 TRP A 53 88.862 51.240 7.342 1.00 49.60 H new ATOM 0 HE1 TRP A 53 88.901 53.336 8.538 1.00 50.17 H new ATOM 0 HE3 TRP A 53 88.460 54.333 3.545 1.00 46.03 H new ATOM 0 HZ2 TRP A 53 88.778 56.038 7.915 1.00 47.62 H new ATOM 0 HZ3 TRP A 53 88.430 56.618 3.944 1.00 44.11 H new ATOM 0 HH2 TRP A 53 88.584 57.454 6.099 1.00 46.14 H new ATOM 438 N ARG A 54 89.783 48.337 6.157 1.00 46.66 N ATOM 439 CA ARG A 54 89.349 47.251 7.037 1.00 49.67 C ATOM 440 C ARG A 54 88.668 47.805 8.299 1.00 54.07 C ATOM 441 O ARG A 54 89.158 48.744 8.931 1.00 53.21 O ATOM 442 CB ARG A 54 90.540 46.396 7.456 1.00 47.14 C ATOM 443 CG ARG A 54 91.450 46.003 6.316 1.00 50.02 C ATOM 444 CD ARG A 54 91.759 44.515 6.386 1.00 53.24 C ATOM 445 NE ARG A 54 92.757 44.088 5.403 1.00 54.84 N ATOM 446 CZ ARG A 54 94.069 44.046 5.624 1.00 55.07 C ATOM 447 NH1 ARG A 54 94.561 44.410 6.805 1.00 54.65 N ATOM 448 NH2 ARG A 54 94.889 43.639 4.658 1.00 53.18 N ATOM 0 H ARG A 54 90.634 48.460 6.146 1.00 46.66 H new ATOM 0 HA ARG A 54 88.714 46.709 6.542 1.00 49.67 H new ATOM 0 HB2 ARG A 54 91.057 46.882 8.117 1.00 47.14 H new ATOM 0 HB3 ARG A 54 90.212 45.591 7.887 1.00 47.14 H new ATOM 0 HG2 ARG A 54 91.028 46.214 5.468 1.00 50.02 H new ATOM 0 HG3 ARG A 54 92.273 46.514 6.358 1.00 50.02 H new ATOM 0 HD2 ARG A 54 92.077 44.298 7.276 1.00 53.24 H new ATOM 0 HD3 ARG A 54 90.941 44.013 6.247 1.00 53.24 H new ATOM 0 HE ARG A 54 92.475 43.847 4.627 1.00 54.84 H new ATOM 0 HH11 ARG A 54 94.031 44.674 7.429 1.00 54.65 H new ATOM 0 HH12 ARG A 54 95.409 44.382 6.945 1.00 54.65 H new ATOM 0 HH21 ARG A 54 94.571 43.404 3.894 1.00 53.18 H new ATOM 0 HH22 ARG A 54 95.737 43.611 4.797 1.00 53.18 H new ATOM 449 N GLN A 55 87.532 47.221 8.657 1.00 59.03 N ATOM 450 CA GLN A 55 86.791 47.646 9.838 1.00 63.33 C ATOM 451 C GLN A 55 86.530 49.144 9.886 1.00 62.47 C ATOM 452 O GLN A 55 86.905 49.808 10.841 1.00 62.58 O ATOM 453 CB GLN A 55 87.541 47.226 11.105 1.00 67.87 C ATOM 454 CG GLN A 55 87.032 45.929 11.713 1.00 77.79 C ATOM 455 CD GLN A 55 87.388 44.714 10.867 1.00 82.99 C ATOM 456 OE1 GLN A 55 86.512 43.949 10.447 1.00 85.39 O ATOM 457 NE2 GLN A 55 88.684 44.531 10.613 1.00 85.65 N ATOM 0 H GLN A 55 87.170 46.571 8.226 1.00 59.03 H new ATOM 0 HA GLN A 55 85.927 47.208 9.787 1.00 63.33 H new ATOM 0 HB2 GLN A 55 88.483 47.129 10.896 1.00 67.87 H new ATOM 0 HB3 GLN A 55 87.468 47.934 11.764 1.00 67.87 H new ATOM 0 HG2 GLN A 55 87.406 45.822 12.602 1.00 77.79 H new ATOM 0 HG3 GLN A 55 86.069 45.978 11.815 1.00 77.79 H new ATOM 0 HE21 GLN A 55 89.265 45.084 10.922 1.00 85.65 H new ATOM 0 HE22 GLN A 55 88.939 43.860 10.140 1.00 85.65 H new ATOM 458 N PHE A 56 85.879 49.670 8.856 1.00 64.09 N ATOM 459 CA PHE A 56 85.561 51.093 8.790 1.00 65.33 C ATOM 460 C PHE A 56 84.723 51.502 9.999 1.00 66.78 C ATOM 461 O PHE A 56 84.659 52.681 10.346 1.00 66.91 O ATOM 462 CB PHE A 56 84.786 51.391 7.492 1.00 65.38 C ATOM 463 CG PHE A 56 84.547 52.860 7.235 1.00 64.17 C ATOM 464 CD1 PHE A 56 85.585 53.683 6.804 1.00 62.20 C ATOM 465 CD2 PHE A 56 83.278 53.416 7.407 1.00 63.12 C ATOM 466 CE1 PHE A 56 85.369 55.041 6.544 1.00 61.82 C ATOM 467 CE2 PHE A 56 83.047 54.774 7.152 1.00 62.42 C ATOM 468 CZ PHE A 56 84.097 55.588 6.719 1.00 62.53 C ATOM 0 H PHE A 56 85.609 49.215 8.178 1.00 64.09 H new ATOM 0 HA PHE A 56 86.387 51.602 8.795 1.00 65.33 H new ATOM 0 HB2 PHE A 56 85.275 51.018 6.742 1.00 65.38 H new ATOM 0 HB3 PHE A 56 83.930 50.936 7.527 1.00 65.38 H new ATOM 0 HD1 PHE A 56 86.435 53.324 6.687 1.00 62.20 H new ATOM 0 HD2 PHE A 56 82.576 52.878 7.695 1.00 63.12 H new ATOM 0 HE1 PHE A 56 86.071 55.578 6.255 1.00 61.82 H new ATOM 0 HE2 PHE A 56 82.197 55.133 7.271 1.00 62.42 H new ATOM 0 HZ PHE A 56 83.949 56.490 6.548 1.00 62.53 H new ATOM 469 N GLU A 57 84.091 50.523 10.646 1.00 69.78 N ATOM 470 CA GLU A 57 83.238 50.796 11.797 1.00 73.11 C ATOM 471 C GLU A 57 83.954 51.511 12.928 1.00 72.94 C ATOM 472 O GLU A 57 83.594 52.636 13.297 1.00 72.43 O ATOM 473 CB GLU A 57 82.613 49.505 12.322 1.00 75.60 C ATOM 474 CG GLU A 57 81.151 49.680 12.704 1.00 83.44 C ATOM 475 CD GLU A 57 80.507 50.899 12.035 1.00 87.80 C ATOM 476 OE1 GLU A 57 80.486 50.954 10.785 1.00 90.94 O ATOM 477 OE2 GLU A 57 80.026 51.801 12.758 1.00 89.51 O ATOM 0 H GLU A 57 84.145 49.692 10.432 1.00 69.78 H new ATOM 0 HA GLU A 57 82.546 51.396 11.477 1.00 73.11 H new ATOM 0 HB2 GLU A 57 82.687 48.814 11.645 1.00 75.60 H new ATOM 0 HB3 GLU A 57 83.112 49.199 13.095 1.00 75.60 H new ATOM 0 HG2 GLU A 57 80.658 48.882 12.457 1.00 83.44 H new ATOM 0 HG3 GLU A 57 81.081 49.770 13.667 1.00 83.44 H new ATOM 478 N GLN A 58 84.961 50.852 13.483 1.00 72.56 N ATOM 479 CA GLN A 58 85.733 51.444 14.561 1.00 74.37 C ATOM 480 C GLN A 58 86.186 52.832 14.133 1.00 74.83 C ATOM 481 O GLN A 58 85.771 53.841 14.714 1.00 74.02 O ATOM 482 CB GLN A 58 86.965 50.590 14.868 1.00 76.98 C ATOM 483 CG GLN A 58 86.756 49.596 15.985 1.00 83.32 C ATOM 484 CD GLN A 58 85.428 48.871 15.863 1.00 88.27 C ATOM 485 OE1 GLN A 58 84.652 48.807 16.822 1.00 88.78 O ATOM 486 NE2 GLN A 58 85.157 48.321 14.678 1.00 91.08 N ATOM 0 H GLN A 58 85.212 50.063 13.250 1.00 72.56 H new ATOM 0 HA GLN A 58 85.181 51.496 15.357 1.00 74.37 H new ATOM 0 HB2 GLN A 58 87.224 50.111 14.065 1.00 76.98 H new ATOM 0 HB3 GLN A 58 87.703 51.175 15.101 1.00 76.98 H new ATOM 0 HG2 GLN A 58 87.478 48.949 15.980 1.00 83.32 H new ATOM 0 HG3 GLN A 58 86.794 50.057 16.838 1.00 83.32 H new ATOM 0 HE21 GLN A 58 85.723 48.387 14.034 1.00 91.08 H new ATOM 0 HE22 GLN A 58 84.416 47.901 14.558 1.00 91.08 H new ATOM 487 N SER A 59 87.027 52.864 13.097 1.00 74.78 N ATOM 488 CA SER A 59 87.586 54.105 12.563 1.00 74.24 C ATOM 489 C SER A 59 86.542 55.186 12.358 1.00 76.92 C ATOM 490 O SER A 59 86.884 56.355 12.207 1.00 78.99 O ATOM 491 CB SER A 59 88.330 53.847 11.246 1.00 68.95 C ATOM 492 OG SER A 59 87.448 53.836 10.141 1.00 61.36 O ATOM 0 H SER A 59 87.290 52.158 12.682 1.00 74.78 H new ATOM 0 HA SER A 59 88.210 54.429 13.232 1.00 74.24 H new ATOM 0 HB2 SER A 59 89.004 54.532 11.115 1.00 68.95 H new ATOM 0 HB3 SER A 59 88.795 52.997 11.298 1.00 68.95 H new ATOM 0 HG SER A 59 86.736 53.445 10.354 1.00 61.36 H new ATOM 493 N LYS A 60 85.270 54.803 12.351 1.00 79.02 N ATOM 494 CA LYS A 60 84.201 55.775 12.178 1.00 81.57 C ATOM 495 C LYS A 60 83.774 56.316 13.530 1.00 84.82 C ATOM 496 O LYS A 60 83.722 57.532 13.742 1.00 84.49 O ATOM 497 CB LYS A 60 82.994 55.133 11.502 1.00 80.45 C ATOM 498 CG LYS A 60 81.787 56.052 11.426 1.00 79.58 C ATOM 499 CD LYS A 60 82.158 57.411 10.845 1.00 80.08 C ATOM 500 CE LYS A 60 82.146 57.387 9.322 1.00 80.91 C ATOM 501 NZ LYS A 60 80.843 56.912 8.779 1.00 79.95 N ATOM 0 H LYS A 60 85.007 53.990 12.444 1.00 79.02 H new ATOM 0 HA LYS A 60 84.534 56.496 11.621 1.00 81.57 H new ATOM 0 HB2 LYS A 60 83.241 54.860 10.605 1.00 80.45 H new ATOM 0 HB3 LYS A 60 82.750 54.329 11.986 1.00 80.45 H new ATOM 0 HG2 LYS A 60 81.100 55.641 10.879 1.00 79.58 H new ATOM 0 HG3 LYS A 60 81.411 56.169 12.313 1.00 79.58 H new ATOM 0 HD2 LYS A 60 81.535 58.082 11.164 1.00 80.08 H new ATOM 0 HD3 LYS A 60 83.039 57.669 11.159 1.00 80.08 H new ATOM 0 HE2 LYS A 60 82.330 58.277 8.984 1.00 80.91 H new ATOM 0 HE3 LYS A 60 82.857 56.810 9.003 1.00 80.91 H new ATOM 0 HZ1 LYS A 60 80.727 57.237 7.958 1.00 79.95 H new ATOM 0 HZ2 LYS A 60 80.840 56.023 8.749 1.00 79.95 H new ATOM 0 HZ3 LYS A 60 80.182 57.193 9.305 1.00 79.95 H new ATOM 502 N GLN A 61 83.469 55.397 14.442 1.00 89.19 N ATOM 503 CA GLN A 61 83.030 55.748 15.792 1.00 93.41 C ATOM 504 C GLN A 61 84.128 56.364 16.669 1.00 94.78 C ATOM 505 O GLN A 61 83.899 57.377 17.333 1.00 96.83 O ATOM 506 CB GLN A 61 82.452 54.512 16.491 1.00 94.56 C ATOM 507 CG GLN A 61 83.352 53.289 16.437 1.00 97.47 C ATOM 508 CD GLN A 61 82.675 52.045 16.982 1.00 99.23 C ATOM 509 OE1 GLN A 61 81.551 51.711 16.589 1.00 98.55 O ATOM 510 NE2 GLN A 61 83.356 51.350 17.893 1.00 98.95 N ATOM 0 H GLN A 61 83.511 54.550 14.296 1.00 89.19 H new ATOM 0 HA GLN A 61 82.352 56.433 15.681 1.00 93.41 H new ATOM 0 HB2 GLN A 61 82.276 54.731 17.419 1.00 94.56 H new ATOM 0 HB3 GLN A 61 81.599 54.292 16.084 1.00 94.56 H new ATOM 0 HG2 GLN A 61 83.623 53.131 15.519 1.00 97.47 H new ATOM 0 HG3 GLN A 61 84.160 53.463 16.945 1.00 97.47 H new ATOM 0 HE21 GLN A 61 84.136 51.615 18.141 1.00 98.95 H new ATOM 0 HE22 GLN A 61 83.016 50.637 18.233 1.00 98.95 H new ATOM 511 N LEU A 62 85.313 55.759 16.679 1.00 94.40 N ATOM 512 CA LEU A 62 86.412 56.272 17.489 1.00 93.76 C ATOM 513 C LEU A 62 87.068 57.506 16.873 1.00 94.07 C ATOM 514 O LEU A 62 88.272 57.704 17.018 1.00 94.51 O ATOM 515 CB LEU A 62 87.469 55.185 17.687 1.00 94.04 C ATOM 516 CG LEU A 62 87.477 54.443 19.027 1.00 94.37 C ATOM 517 CD1 LEU A 62 87.655 55.428 20.175 1.00 93.69 C ATOM 518 CD2 LEU A 62 86.183 53.663 19.180 1.00 95.48 C ATOM 0 H LEU A 62 85.500 55.053 16.225 1.00 94.40 H new ATOM 0 HA LEU A 62 86.034 56.534 18.343 1.00 93.76 H new ATOM 0 HB2 LEU A 62 87.359 54.528 16.982 1.00 94.04 H new ATOM 0 HB3 LEU A 62 88.342 55.590 17.564 1.00 94.04 H new ATOM 0 HG LEU A 62 88.222 53.822 19.047 1.00 94.37 H new ATOM 0 HD11 LEU A 62 87.658 54.947 21.017 1.00 93.69 H new ATOM 0 HD12 LEU A 62 88.496 55.900 20.069 1.00 93.69 H new ATOM 0 HD13 LEU A 62 86.924 56.066 20.171 1.00 93.69 H new ATOM 0 HD21 LEU A 62 86.187 53.193 20.028 1.00 95.48 H new ATOM 0 HD22 LEU A 62 85.431 54.275 19.154 1.00 95.48 H new ATOM 0 HD23 LEU A 62 86.104 53.022 18.456 1.00 95.48 H new ATOM 519 N THR A 63 86.281 58.330 16.187 1.00 94.03 N ATOM 520 CA THR A 63 86.807 59.539 15.556 1.00 94.88 C ATOM 521 C THR A 63 85.727 60.604 15.370 1.00 95.32 C ATOM 522 O THR A 63 85.842 61.476 14.501 1.00 96.09 O ATOM 523 CB THR A 63 87.415 59.234 14.175 1.00 95.05 C ATOM 524 OG1 THR A 63 86.537 58.358 13.461 1.00 97.48 O ATOM 525 CG2 THR A 63 88.786 58.582 14.317 1.00 94.43 C ATOM 0 H THR A 63 85.437 58.207 16.074 1.00 94.03 H new ATOM 0 HA THR A 63 87.492 59.874 16.155 1.00 94.88 H new ATOM 0 HB THR A 63 87.523 60.066 13.689 1.00 95.05 H new ATOM 0 HG1 THR A 63 86.990 57.795 13.032 1.00 97.48 H new ATOM 0 HG21 THR A 63 89.150 58.399 13.437 1.00 94.43 H new ATOM 0 HG22 THR A 63 89.381 59.181 14.795 1.00 94.43 H new ATOM 0 HG23 THR A 63 88.700 57.751 14.810 1.00 94.43 H new ATOM 526 N GLU A 64 84.678 60.529 16.184 1.00 94.52 N ATOM 527 CA GLU A 64 83.588 61.495 16.114 1.00 93.16 C ATOM 528 C GLU A 64 82.965 61.514 14.728 1.00 90.78 C ATOM 529 O GLU A 64 82.447 62.543 14.288 1.00 89.54 O ATOM 530 CB GLU A 64 84.099 62.902 16.456 1.00 96.74 C ATOM 531 CG GLU A 64 85.079 62.962 17.637 1.00 99.64 C ATOM 532 CD GLU A 64 86.219 63.957 17.422 1.00 99.99 C ATOM 533 OE1 GLU A 64 85.964 65.185 17.469 1.00 99.99 O ATOM 534 OE2 GLU A 64 87.370 63.508 17.212 1.00 99.99 O ATOM 0 H GLU A 64 84.579 59.923 16.786 1.00 94.52 H new ATOM 0 HA GLU A 64 82.914 61.227 16.758 1.00 93.16 H new ATOM 0 HB2 GLU A 64 84.533 63.274 15.672 1.00 96.74 H new ATOM 0 HB3 GLU A 64 83.338 63.469 16.655 1.00 96.74 H new ATOM 0 HG2 GLU A 64 84.593 63.204 18.441 1.00 99.64 H new ATOM 0 HG3 GLU A 64 85.452 62.079 17.786 1.00 99.64 H new ATOM 535 N ASN A 65 83.028 60.378 14.039 1.00 88.26 N ATOM 536 CA ASN A 65 82.459 60.265 12.702 1.00 85.29 C ATOM 537 C ASN A 65 83.249 61.067 11.667 1.00 81.51 C ATOM 538 O ASN A 65 82.733 61.381 10.593 1.00 81.51 O ATOM 539 CB ASN A 65 81.011 60.756 12.721 1.00 88.08 C ATOM 540 CG ASN A 65 80.080 59.843 11.975 1.00 90.69 C ATOM 541 OD1 ASN A 65 80.228 59.635 10.769 1.00 93.11 O ATOM 542 ND2 ASN A 65 79.104 59.290 12.684 1.00 93.01 N ATOM 0 H ASN A 65 83.398 59.659 14.331 1.00 88.26 H new ATOM 0 HA ASN A 65 82.499 59.330 12.446 1.00 85.29 H new ATOM 0 HB2 ASN A 65 80.712 60.835 13.640 1.00 88.08 H new ATOM 0 HB3 ASN A 65 80.969 61.643 12.331 1.00 88.08 H new ATOM 0 HD21 ASN A 65 78.542 58.762 12.303 1.00 93.01 H new ATOM 0 HD22 ASN A 65 79.034 59.460 13.524 1.00 93.01 H new ATOM 543 N GLY A 66 84.496 61.397 11.993 1.00 76.89 N ATOM 544 CA GLY A 66 85.325 62.171 11.081 1.00 71.69 C ATOM 545 C GLY A 66 85.964 61.377 9.951 1.00 67.71 C ATOM 546 O GLY A 66 86.698 61.932 9.121 1.00 67.02 O ATOM 0 H GLY A 66 84.877 61.183 12.734 1.00 76.89 H new ATOM 0 HA2 GLY A 66 84.783 62.877 10.695 1.00 71.69 H new ATOM 0 HA3 GLY A 66 86.028 62.601 11.592 1.00 71.69 H new ATOM 547 N ALA A 67 85.689 60.075 9.916 1.00 61.83 N ATOM 548 CA ALA A 67 86.238 59.206 8.886 1.00 54.35 C ATOM 549 C ALA A 67 85.372 59.260 7.649 1.00 51.84 C ATOM 550 O ALA A 67 85.834 58.973 6.550 1.00 56.40 O ATOM 551 CB ALA A 67 86.314 57.780 9.390 1.00 52.51 C ATOM 0 H ALA A 67 85.183 59.676 10.485 1.00 61.83 H new ATOM 0 HA ALA A 67 87.132 59.512 8.666 1.00 54.35 H new ATOM 0 HB1 ALA A 67 86.681 57.210 8.696 1.00 52.51 H new ATOM 0 HB2 ALA A 67 86.885 57.743 10.173 1.00 52.51 H new ATOM 0 HB3 ALA A 67 85.425 57.472 9.624 1.00 52.51 H new ATOM 552 N GLU A 68 84.113 59.635 7.820 1.00 45.96 N ATOM 553 CA GLU A 68 83.198 59.695 6.695 1.00 42.48 C ATOM 554 C GLU A 68 83.489 60.839 5.714 1.00 41.26 C ATOM 555 O GLU A 68 83.212 60.731 4.524 1.00 38.80 O ATOM 556 CB GLU A 68 81.765 59.780 7.220 1.00 43.96 C ATOM 557 CG GLU A 68 80.701 59.598 6.159 1.00 48.57 C ATOM 558 CD GLU A 68 80.653 58.187 5.614 1.00 52.46 C ATOM 559 OE1 GLU A 68 80.968 57.247 6.380 1.00 53.94 O ATOM 560 OE2 GLU A 68 80.299 58.016 4.422 1.00 53.82 O ATOM 0 H GLU A 68 83.771 59.858 8.577 1.00 45.96 H new ATOM 0 HA GLU A 68 83.324 58.882 6.182 1.00 42.48 H new ATOM 0 HB2 GLU A 68 81.642 59.105 7.905 1.00 43.96 H new ATOM 0 HB3 GLU A 68 81.638 60.642 7.646 1.00 43.96 H new ATOM 0 HG2 GLU A 68 79.835 59.826 6.532 1.00 48.57 H new ATOM 0 HG3 GLU A 68 80.867 60.216 5.430 1.00 48.57 H new ATOM 561 N SER A 69 84.037 61.944 6.205 1.00 44.69 N ATOM 562 CA SER A 69 84.354 63.074 5.328 1.00 45.17 C ATOM 563 C SER A 69 85.565 62.690 4.505 1.00 45.03 C ATOM 564 O SER A 69 85.602 62.943 3.300 1.00 46.93 O ATOM 565 CB SER A 69 84.670 64.327 6.140 1.00 46.97 C ATOM 566 OG SER A 69 84.651 64.047 7.530 1.00 52.89 O ATOM 0 H SER A 69 84.233 62.063 7.034 1.00 44.69 H new ATOM 0 HA SER A 69 83.591 63.271 4.762 1.00 45.17 H new ATOM 0 HB2 SER A 69 85.542 64.670 5.887 1.00 46.97 H new ATOM 0 HB3 SER A 69 84.023 65.020 5.937 1.00 46.97 H new ATOM 0 HG SER A 69 84.828 64.747 7.959 1.00 52.89 H new ATOM 567 N VAL A 70 86.558 62.082 5.157 1.00 41.67 N ATOM 568 CA VAL A 70 87.748 61.631 4.452 1.00 38.14 C ATOM 569 C VAL A 70 87.310 60.712 3.310 1.00 39.20 C ATOM 570 O VAL A 70 87.623 60.976 2.148 1.00 41.91 O ATOM 571 CB VAL A 70 88.702 60.863 5.377 1.00 35.47 C ATOM 572 CG1 VAL A 70 89.586 59.934 4.557 1.00 35.27 C ATOM 573 CG2 VAL A 70 89.562 61.841 6.155 1.00 35.47 C ATOM 0 H VAL A 70 86.558 61.924 6.002 1.00 41.67 H new ATOM 0 HA VAL A 70 88.222 62.408 4.117 1.00 38.14 H new ATOM 0 HB VAL A 70 88.181 60.333 6.000 1.00 35.47 H new ATOM 0 HG11 VAL A 70 90.186 59.452 5.148 1.00 35.27 H new ATOM 0 HG12 VAL A 70 89.031 59.301 4.075 1.00 35.27 H new ATOM 0 HG13 VAL A 70 90.105 60.455 3.925 1.00 35.27 H new ATOM 0 HG21 VAL A 70 90.163 61.351 6.738 1.00 35.47 H new ATOM 0 HG22 VAL A 70 90.080 62.380 5.537 1.00 35.47 H new ATOM 0 HG23 VAL A 70 88.994 62.418 6.689 1.00 35.47 H new ATOM 574 N LEU A 71 86.569 59.651 3.635 1.00 37.31 N ATOM 575 CA LEU A 71 86.090 58.709 2.616 1.00 36.09 C ATOM 576 C LEU A 71 85.313 59.403 1.492 1.00 37.74 C ATOM 577 O LEU A 71 85.373 58.974 0.338 1.00 39.09 O ATOM 578 CB LEU A 71 85.212 57.614 3.245 1.00 32.27 C ATOM 579 CG LEU A 71 84.419 56.711 2.283 1.00 30.92 C ATOM 580 CD1 LEU A 71 85.354 56.117 1.264 1.00 31.15 C ATOM 581 CD2 LEU A 71 83.712 55.598 3.040 1.00 26.75 C ATOM 0 H LEU A 71 86.332 59.457 4.439 1.00 37.31 H new ATOM 0 HA LEU A 71 86.882 58.306 2.227 1.00 36.09 H new ATOM 0 HB2 LEU A 71 85.781 57.047 3.789 1.00 32.27 H new ATOM 0 HB3 LEU A 71 84.581 58.042 3.845 1.00 32.27 H new ATOM 0 HG LEU A 71 83.748 57.251 1.837 1.00 30.92 H new ATOM 0 HD11 LEU A 71 84.854 55.548 0.658 1.00 31.15 H new ATOM 0 HD12 LEU A 71 85.779 56.829 0.761 1.00 31.15 H new ATOM 0 HD13 LEU A 71 86.032 55.590 1.715 1.00 31.15 H new ATOM 0 HD21 LEU A 71 83.220 55.043 2.415 1.00 26.75 H new ATOM 0 HD22 LEU A 71 84.368 55.056 3.506 1.00 26.75 H new ATOM 0 HD23 LEU A 71 83.097 55.984 3.683 1.00 26.75 H new ATOM 582 N GLN A 72 84.589 60.469 1.819 1.00 37.98 N ATOM 583 CA GLN A 72 83.828 61.184 0.806 1.00 38.96 C ATOM 584 C GLN A 72 84.761 61.948 -0.126 1.00 36.84 C ATOM 585 O GLN A 72 84.420 62.217 -1.278 1.00 38.30 O ATOM 586 CB GLN A 72 82.852 62.155 1.460 1.00 45.09 C ATOM 587 CG GLN A 72 81.917 62.835 0.469 1.00 54.63 C ATOM 588 CD GLN A 72 80.753 61.945 0.055 1.00 62.13 C ATOM 589 OE1 GLN A 72 80.407 61.871 -1.131 1.00 65.55 O ATOM 590 NE2 GLN A 72 80.138 61.263 1.033 1.00 63.77 N ATOM 0 H GLN A 72 84.526 60.791 2.614 1.00 37.98 H new ATOM 0 HA GLN A 72 83.330 60.532 0.288 1.00 38.96 H new ATOM 0 HB2 GLN A 72 82.323 61.677 2.117 1.00 45.09 H new ATOM 0 HB3 GLN A 72 83.354 62.833 1.939 1.00 45.09 H new ATOM 0 HG2 GLN A 72 81.571 63.651 0.864 1.00 54.63 H new ATOM 0 HG3 GLN A 72 82.419 63.092 -0.320 1.00 54.63 H new ATOM 0 HE21 GLN A 72 80.407 61.340 1.846 1.00 63.77 H new ATOM 0 HE22 GLN A 72 79.474 60.749 0.847 1.00 63.77 H new ATOM 591 N VAL A 73 85.935 62.308 0.376 1.00 30.80 N ATOM 592 CA VAL A 73 86.888 63.024 -0.444 1.00 29.54 C ATOM 593 C VAL A 73 87.363 62.041 -1.489 1.00 31.17 C ATOM 594 O VAL A 73 87.533 62.383 -2.657 1.00 34.43 O ATOM 595 CB VAL A 73 88.101 63.501 0.376 1.00 28.34 C ATOM 596 CG1 VAL A 73 89.232 63.924 -0.551 1.00 24.63 C ATOM 597 CG2 VAL A 73 87.696 64.654 1.259 1.00 28.89 C ATOM 0 H VAL A 73 86.194 62.148 1.180 1.00 30.80 H new ATOM 0 HA VAL A 73 86.471 63.811 -0.828 1.00 29.54 H new ATOM 0 HB VAL A 73 88.414 62.769 0.931 1.00 28.34 H new ATOM 0 HG11 VAL A 73 89.989 64.222 -0.023 1.00 24.63 H new ATOM 0 HG12 VAL A 73 89.498 63.171 -1.101 1.00 24.63 H new ATOM 0 HG13 VAL A 73 88.930 64.649 -1.120 1.00 24.63 H new ATOM 0 HG21 VAL A 73 88.462 64.952 1.774 1.00 28.89 H new ATOM 0 HG22 VAL A 73 87.372 65.385 0.709 1.00 28.89 H new ATOM 0 HG23 VAL A 73 86.993 64.368 1.863 1.00 28.89 H new ATOM 598 N PHE A 74 87.578 60.806 -1.057 1.00 31.91 N ATOM 599 CA PHE A 74 88.036 59.766 -1.965 1.00 29.35 C ATOM 600 C PHE A 74 86.905 59.447 -2.946 1.00 31.33 C ATOM 601 O PHE A 74 87.149 59.262 -4.142 1.00 33.40 O ATOM 602 CB PHE A 74 88.440 58.515 -1.175 1.00 24.64 C ATOM 603 CG PHE A 74 89.809 58.604 -0.555 1.00 21.65 C ATOM 604 CD1 PHE A 74 90.951 58.540 -1.343 1.00 21.48 C ATOM 605 CD2 PHE A 74 89.954 58.740 0.823 1.00 20.55 C ATOM 606 CE1 PHE A 74 92.215 58.610 -0.771 1.00 20.04 C ATOM 607 CE2 PHE A 74 91.214 58.812 1.408 1.00 18.66 C ATOM 608 CZ PHE A 74 92.345 58.748 0.612 1.00 18.80 C ATOM 0 H PHE A 74 87.465 60.550 -0.244 1.00 31.91 H new ATOM 0 HA PHE A 74 88.815 60.071 -2.456 1.00 29.35 H new ATOM 0 HB2 PHE A 74 87.787 58.360 -0.475 1.00 24.64 H new ATOM 0 HB3 PHE A 74 88.411 57.746 -1.766 1.00 24.64 H new ATOM 0 HD1 PHE A 74 90.868 58.449 -2.265 1.00 21.48 H new ATOM 0 HD2 PHE A 74 89.197 58.783 1.361 1.00 20.55 H new ATOM 0 HE1 PHE A 74 92.973 58.565 -1.308 1.00 20.04 H new ATOM 0 HE2 PHE A 74 91.296 58.903 2.330 1.00 18.66 H new ATOM 0 HZ PHE A 74 93.190 58.797 0.998 1.00 18.80 H new ATOM 609 N ARG A 75 85.672 59.403 -2.433 1.00 31.81 N ATOM 610 CA ARG A 75 84.488 59.123 -3.242 1.00 33.48 C ATOM 611 C ARG A 75 84.255 60.257 -4.228 1.00 36.48 C ATOM 612 O ARG A 75 83.555 60.093 -5.231 1.00 38.69 O ATOM 613 CB ARG A 75 83.246 59.000 -2.357 1.00 34.92 C ATOM 614 CG ARG A 75 83.233 57.797 -1.432 1.00 39.64 C ATOM 615 CD ARG A 75 82.523 56.602 -2.059 1.00 42.36 C ATOM 616 NE ARG A 75 81.123 56.853 -2.413 1.00 43.57 N ATOM 617 CZ ARG A 75 80.145 57.089 -1.542 1.00 45.04 C ATOM 618 NH1 ARG A 75 80.394 57.118 -0.244 1.00 49.65 N ATOM 619 NH2 ARG A 75 78.904 57.274 -1.968 1.00 46.81 N ATOM 0 H ARG A 75 85.501 59.536 -1.601 1.00 31.81 H new ATOM 0 HA ARG A 75 84.639 58.289 -3.713 1.00 33.48 H new ATOM 0 HB2 ARG A 75 83.167 59.804 -1.820 1.00 34.92 H new ATOM 0 HB3 ARG A 75 82.462 58.961 -2.927 1.00 34.92 H new ATOM 0 HG2 ARG A 75 84.145 57.551 -1.210 1.00 39.64 H new ATOM 0 HG3 ARG A 75 82.793 58.034 -0.601 1.00 39.64 H new ATOM 0 HD2 ARG A 75 83.005 56.335 -2.857 1.00 42.36 H new ATOM 0 HD3 ARG A 75 82.561 55.855 -1.441 1.00 42.36 H new ATOM 0 HE ARG A 75 80.918 56.847 -3.248 1.00 43.57 H new ATOM 0 HH11 ARG A 75 81.193 56.984 0.044 1.00 49.65 H new ATOM 0 HH12 ARG A 75 79.757 57.271 0.313 1.00 49.65 H new ATOM 0 HH21 ARG A 75 78.729 57.242 -2.809 1.00 46.81 H new ATOM 0 HH22 ARG A 75 78.274 57.426 -1.403 1.00 46.81 H new ATOM 620 N GLU A 76 84.833 61.416 -3.924 1.00 38.77 N ATOM 621 CA GLU A 76 84.704 62.593 -4.770 1.00 37.68 C ATOM 622 C GLU A 76 85.757 62.567 -5.867 1.00 34.45 C ATOM 623 O GLU A 76 85.455 62.858 -7.021 1.00 36.01 O ATOM 624 CB GLU A 76 84.863 63.861 -3.931 1.00 44.26 C ATOM 625 CG GLU A 76 83.552 64.478 -3.497 1.00 52.92 C ATOM 626 CD GLU A 76 82.605 64.675 -4.663 1.00 60.05 C ATOM 627 OE1 GLU A 76 83.030 65.248 -5.696 1.00 62.44 O ATOM 628 OE2 GLU A 76 81.434 64.249 -4.545 1.00 64.93 O ATOM 0 H GLU A 76 85.311 61.540 -3.220 1.00 38.77 H new ATOM 0 HA GLU A 76 83.823 62.589 -5.177 1.00 37.68 H new ATOM 0 HB2 GLU A 76 85.389 63.653 -3.143 1.00 44.26 H new ATOM 0 HB3 GLU A 76 85.365 64.515 -4.442 1.00 44.26 H new ATOM 0 HG2 GLU A 76 83.132 63.910 -2.833 1.00 52.92 H new ATOM 0 HG3 GLU A 76 83.723 65.333 -3.072 1.00 52.92 H new ATOM 629 N ALA A 77 86.988 62.221 -5.506 1.00 30.01 N ATOM 630 CA ALA A 77 88.071 62.155 -6.478 1.00 32.82 C ATOM 631 C ALA A 77 87.661 61.199 -7.581 1.00 36.31 C ATOM 632 O ALA A 77 87.796 61.494 -8.768 1.00 35.92 O ATOM 633 CB ALA A 77 89.331 61.660 -5.813 1.00 30.63 C ATOM 0 H ALA A 77 87.217 62.020 -4.702 1.00 30.01 H new ATOM 0 HA ALA A 77 88.243 63.036 -6.845 1.00 32.82 H new ATOM 0 HB1 ALA A 77 90.047 61.619 -6.466 1.00 30.63 H new ATOM 0 HB2 ALA A 77 89.580 62.267 -5.099 1.00 30.63 H new ATOM 0 HB3 ALA A 77 89.177 60.775 -5.446 1.00 30.63 H new ATOM 634 N LYS A 78 87.171 60.039 -7.163 1.00 40.03 N ATOM 635 CA LYS A 78 86.692 59.005 -8.073 1.00 43.80 C ATOM 636 C LYS A 78 85.659 59.619 -9.026 1.00 47.83 C ATOM 637 O LYS A 78 85.716 59.411 -10.244 1.00 49.17 O ATOM 638 CB LYS A 78 86.031 57.879 -7.268 1.00 42.70 C ATOM 639 CG LYS A 78 86.328 56.478 -7.770 1.00 42.95 C ATOM 640 CD LYS A 78 85.651 55.440 -6.903 1.00 42.84 C ATOM 641 CE LYS A 78 84.565 54.713 -7.667 1.00 45.33 C ATOM 642 NZ LYS A 78 85.030 54.328 -9.031 1.00 48.43 N ATOM 0 H LYS A 78 87.106 59.827 -6.332 1.00 40.03 H new ATOM 0 HA LYS A 78 87.437 58.645 -8.579 1.00 43.80 H new ATOM 0 HB2 LYS A 78 86.320 57.946 -6.345 1.00 42.70 H new ATOM 0 HB3 LYS A 78 85.071 58.015 -7.275 1.00 42.70 H new ATOM 0 HG2 LYS A 78 86.024 56.387 -8.687 1.00 42.95 H new ATOM 0 HG3 LYS A 78 87.286 56.328 -7.773 1.00 42.95 H new ATOM 0 HD2 LYS A 78 86.309 54.802 -6.585 1.00 42.84 H new ATOM 0 HD3 LYS A 78 85.269 55.868 -6.121 1.00 42.84 H new ATOM 0 HE2 LYS A 78 84.298 53.919 -7.178 1.00 45.33 H new ATOM 0 HE3 LYS A 78 83.781 55.280 -7.738 1.00 45.33 H new ATOM 0 HZ1 LYS A 78 84.670 53.546 -9.258 1.00 48.43 H new ATOM 0 HZ2 LYS A 78 84.781 54.950 -9.617 1.00 48.43 H new ATOM 0 HZ3 LYS A 78 85.917 54.257 -9.034 1.00 48.43 H new ATOM 643 N ALA A 79 84.716 60.369 -8.448 1.00 49.59 N ATOM 644 CA ALA A 79 83.651 61.046 -9.188 1.00 49.94 C ATOM 645 C ALA A 79 84.213 61.979 -10.257 1.00 51.77 C ATOM 646 O ALA A 79 83.920 61.811 -11.440 1.00 53.35 O ATOM 647 CB ALA A 79 82.775 61.843 -8.224 1.00 50.00 C ATOM 0 H ALA A 79 84.679 60.500 -7.599 1.00 49.59 H new ATOM 0 HA ALA A 79 83.121 60.365 -9.631 1.00 49.94 H new ATOM 0 HB1 ALA A 79 82.071 62.289 -8.720 1.00 50.00 H new ATOM 0 HB2 ALA A 79 82.380 61.242 -7.573 1.00 50.00 H new ATOM 0 HB3 ALA A 79 83.317 62.505 -7.766 1.00 50.00 H new ATOM 648 N GLU A 80 85.004 62.967 -9.839 1.00 51.31 N ATOM 649 CA GLU A 80 85.600 63.899 -10.779 1.00 53.20 C ATOM 650 C GLU A 80 86.296 63.118 -11.877 1.00 53.89 C ATOM 651 O GLU A 80 86.328 63.559 -13.026 1.00 56.10 O ATOM 652 CB GLU A 80 86.612 64.799 -10.081 1.00 57.63 C ATOM 653 CG GLU A 80 86.155 66.238 -9.973 1.00 65.88 C ATOM 654 CD GLU A 80 84.761 66.349 -9.388 1.00 70.36 C ATOM 655 OE1 GLU A 80 84.630 66.389 -8.141 1.00 71.35 O ATOM 656 OE2 GLU A 80 83.797 66.391 -10.182 1.00 73.24 O ATOM 0 H GLU A 80 85.205 63.110 -9.015 1.00 51.31 H new ATOM 0 HA GLU A 80 84.900 64.456 -11.154 1.00 53.20 H new ATOM 0 HB2 GLU A 80 86.784 64.453 -9.191 1.00 57.63 H new ATOM 0 HB3 GLU A 80 87.452 64.768 -10.565 1.00 57.63 H new ATOM 0 HG2 GLU A 80 86.778 66.734 -9.419 1.00 65.88 H new ATOM 0 HG3 GLU A 80 86.170 66.648 -10.852 1.00 65.88 H new ATOM 657 N GLY A 81 86.856 61.962 -11.524 1.00 52.64 N ATOM 658 CA GLY A 81 87.522 61.142 -12.521 1.00 51.54 C ATOM 659 C GLY A 81 88.591 60.163 -12.060 1.00 52.15 C ATOM 660 O GLY A 81 88.738 59.105 -12.674 1.00 53.12 O ATOM 0 H GLY A 81 86.860 61.642 -10.726 1.00 52.64 H new ATOM 0 HA2 GLY A 81 86.840 60.635 -12.989 1.00 51.54 H new ATOM 0 HA3 GLY A 81 87.928 61.738 -13.170 1.00 51.54 H new ATOM 661 N ALA A 82 89.329 60.507 -10.998 1.00 50.94 N ATOM 662 CA ALA A 82 90.422 59.675 -10.470 1.00 47.53 C ATOM 663 C ALA A 82 90.135 58.187 -10.548 1.00 46.66 C ATOM 664 O ALA A 82 89.008 57.769 -10.306 1.00 47.90 O ATOM 665 CB ALA A 82 90.721 60.068 -9.029 1.00 44.38 C ATOM 0 H ALA A 82 89.209 61.237 -10.559 1.00 50.94 H new ATOM 0 HA ALA A 82 91.195 59.840 -11.033 1.00 47.53 H new ATOM 0 HB1 ALA A 82 91.442 59.517 -8.686 1.00 44.38 H new ATOM 0 HB2 ALA A 82 90.984 61.001 -8.996 1.00 44.38 H new ATOM 0 HB3 ALA A 82 89.928 59.937 -8.486 1.00 44.38 H new ATOM 666 N ASP A 83 91.144 57.392 -10.900 1.00 45.27 N ATOM 667 CA ASP A 83 90.980 55.934 -10.983 1.00 43.91 C ATOM 668 C ASP A 83 91.228 55.328 -9.597 1.00 39.84 C ATOM 669 O ASP A 83 92.325 54.850 -9.277 1.00 35.47 O ATOM 670 CB ASP A 83 91.957 55.322 -12.002 1.00 51.77 C ATOM 671 CG ASP A 83 91.732 53.823 -12.208 1.00 59.23 C ATOM 672 OD1 ASP A 83 91.924 53.042 -11.245 1.00 66.56 O ATOM 673 OD2 ASP A 83 91.358 53.423 -13.334 1.00 61.62 O ATOM 0 H ASP A 83 91.933 57.674 -11.095 1.00 45.27 H new ATOM 0 HA ASP A 83 90.078 55.736 -11.279 1.00 43.91 H new ATOM 0 HB2 ASP A 83 91.861 55.780 -12.852 1.00 51.77 H new ATOM 0 HB3 ASP A 83 92.867 55.470 -11.701 1.00 51.77 H new ATOM 674 N ILE A 84 90.186 55.349 -8.780 1.00 35.19 N ATOM 675 CA ILE A 84 90.268 54.839 -7.433 1.00 32.04 C ATOM 676 C ILE A 84 89.295 53.703 -7.234 1.00 32.73 C ATOM 677 O ILE A 84 88.179 53.744 -7.755 1.00 34.13 O ATOM 678 CB ILE A 84 89.921 55.941 -6.420 1.00 31.58 C ATOM 679 CG1 ILE A 84 90.809 57.165 -6.656 1.00 34.35 C ATOM 680 CG2 ILE A 84 90.105 55.432 -5.006 1.00 32.98 C ATOM 681 CD1 ILE A 84 90.499 58.331 -5.726 1.00 34.72 C ATOM 0 H ILE A 84 89.414 55.660 -8.995 1.00 35.19 H new ATOM 0 HA ILE A 84 91.176 54.528 -7.293 1.00 32.04 H new ATOM 0 HB ILE A 84 88.993 56.195 -6.541 1.00 31.58 H new ATOM 0 HG12 ILE A 84 91.738 56.908 -6.542 1.00 34.35 H new ATOM 0 HG13 ILE A 84 90.706 57.458 -7.575 1.00 34.35 H new ATOM 0 HG21 ILE A 84 89.883 56.136 -4.377 1.00 32.98 H new ATOM 0 HG22 ILE A 84 89.522 54.671 -4.857 1.00 32.98 H new ATOM 0 HG23 ILE A 84 91.028 55.162 -4.876 1.00 32.98 H new ATOM 0 HD11 ILE A 84 91.093 59.071 -5.926 1.00 34.72 H new ATOM 0 HD12 ILE A 84 89.579 58.612 -5.854 1.00 34.72 H new ATOM 0 HD13 ILE A 84 90.627 58.054 -4.805 1.00 34.72 H new ATOM 682 N THR A 85 89.731 52.683 -6.495 1.00 31.31 N ATOM 683 CA THR A 85 88.880 51.546 -6.161 1.00 26.43 C ATOM 684 C THR A 85 88.841 51.513 -4.645 1.00 25.21 C ATOM 685 O THR A 85 89.892 51.584 -3.993 1.00 25.00 O ATOM 686 CB THR A 85 89.440 50.233 -6.655 1.00 25.58 C ATOM 687 OG1 THR A 85 89.356 50.191 -8.085 1.00 28.85 O ATOM 688 CG2 THR A 85 88.640 49.084 -6.072 1.00 24.55 C ATOM 0 H THR A 85 90.527 52.633 -6.175 1.00 31.31 H new ATOM 0 HA THR A 85 88.010 51.651 -6.577 1.00 26.43 H new ATOM 0 HB THR A 85 90.366 50.153 -6.378 1.00 25.58 H new ATOM 0 HG1 THR A 85 89.668 49.462 -8.363 1.00 28.85 H new ATOM 0 HG21 THR A 85 89.002 48.243 -6.391 1.00 24.55 H new ATOM 0 HG22 THR A 85 88.692 49.112 -5.104 1.00 24.55 H new ATOM 0 HG23 THR A 85 87.713 49.162 -6.348 1.00 24.55 H new ATOM 689 N ILE A 86 87.639 51.415 -4.090 1.00 20.28 N ATOM 690 CA ILE A 86 87.486 51.424 -2.656 1.00 22.06 C ATOM 691 C ILE A 86 86.871 50.150 -2.102 1.00 27.06 C ATOM 692 O ILE A 86 85.700 49.861 -2.355 1.00 30.16 O ATOM 693 CB ILE A 86 86.618 52.625 -2.230 1.00 19.56 C ATOM 694 CG1 ILE A 86 87.107 53.893 -2.934 1.00 18.80 C ATOM 695 CG2 ILE A 86 86.672 52.807 -0.724 1.00 20.87 C ATOM 696 CD1 ILE A 86 86.080 54.996 -2.975 1.00 17.24 C ATOM 0 H ILE A 86 86.904 51.343 -4.531 1.00 20.28 H new ATOM 0 HA ILE A 86 88.381 51.492 -2.289 1.00 22.06 H new ATOM 0 HB ILE A 86 85.698 52.455 -2.486 1.00 19.56 H new ATOM 0 HG12 ILE A 86 87.902 54.218 -2.483 1.00 18.80 H new ATOM 0 HG13 ILE A 86 87.367 53.670 -3.841 1.00 18.80 H new ATOM 0 HG21 ILE A 86 86.123 53.565 -0.470 1.00 20.87 H new ATOM 0 HG22 ILE A 86 86.339 52.006 -0.289 1.00 20.87 H new ATOM 0 HG23 ILE A 86 87.589 52.966 -0.450 1.00 20.87 H new ATOM 0 HD11 ILE A 86 86.451 55.767 -3.432 1.00 17.24 H new ATOM 0 HD12 ILE A 86 85.292 54.687 -3.450 1.00 17.24 H new ATOM 0 HD13 ILE A 86 85.835 55.244 -2.070 1.00 17.24 H new ATOM 697 N ILE A 87 87.658 49.382 -1.349 1.00 28.04 N ATOM 698 CA ILE A 87 87.146 48.160 -0.733 1.00 26.36 C ATOM 699 C ILE A 87 86.860 48.425 0.739 1.00 28.51 C ATOM 700 O ILE A 87 87.781 48.676 1.525 1.00 25.29 O ATOM 701 CB ILE A 87 88.139 46.998 -0.813 1.00 21.34 C ATOM 702 CG1 ILE A 87 88.366 46.605 -2.271 1.00 18.46 C ATOM 703 CG2 ILE A 87 87.589 45.814 -0.036 1.00 17.37 C ATOM 704 CD1 ILE A 87 89.812 46.618 -2.696 1.00 12.47 C ATOM 0 H ILE A 87 88.485 49.550 -1.184 1.00 28.04 H new ATOM 0 HA ILE A 87 86.345 47.912 -1.220 1.00 26.36 H new ATOM 0 HB ILE A 87 88.987 47.271 -0.428 1.00 21.34 H new ATOM 0 HG12 ILE A 87 88.005 45.717 -2.416 1.00 18.46 H new ATOM 0 HG13 ILE A 87 87.866 47.211 -2.840 1.00 18.46 H new ATOM 0 HG21 ILE A 87 88.216 45.075 -0.085 1.00 17.37 H new ATOM 0 HG22 ILE A 87 87.460 46.067 0.891 1.00 17.37 H new ATOM 0 HG23 ILE A 87 86.740 45.542 -0.418 1.00 17.37 H new ATOM 0 HD11 ILE A 87 89.878 46.359 -3.629 1.00 12.47 H new ATOM 0 HD12 ILE A 87 90.175 47.510 -2.582 1.00 12.47 H new ATOM 0 HD13 ILE A 87 90.315 45.993 -2.151 1.00 12.47 H new ATOM 705 N LEU A 88 85.581 48.373 1.102 1.00 31.41 N ATOM 706 CA LEU A 88 85.161 48.609 2.479 1.00 33.29 C ATOM 707 C LEU A 88 84.997 47.272 3.186 1.00 34.10 C ATOM 708 O LEU A 88 83.893 46.757 3.291 1.00 33.67 O ATOM 709 CB LEU A 88 83.832 49.384 2.509 1.00 31.86 C ATOM 710 CG LEU A 88 83.771 50.899 2.762 1.00 28.40 C ATOM 711 CD1 LEU A 88 85.094 51.578 2.463 1.00 30.00 C ATOM 712 CD2 LEU A 88 82.683 51.469 1.886 1.00 27.86 C ATOM 0 H LEU A 88 84.936 48.201 0.560 1.00 31.41 H new ATOM 0 HA LEU A 88 85.835 49.139 2.932 1.00 33.29 H new ATOM 0 HB2 LEU A 88 83.398 49.226 1.656 1.00 31.86 H new ATOM 0 HB3 LEU A 88 83.281 48.966 3.189 1.00 31.86 H new ATOM 0 HG LEU A 88 83.581 51.058 3.700 1.00 28.40 H new ATOM 0 HD11 LEU A 88 85.016 52.530 2.634 1.00 30.00 H new ATOM 0 HD12 LEU A 88 85.786 51.204 3.031 1.00 30.00 H new ATOM 0 HD13 LEU A 88 85.328 51.436 1.533 1.00 30.00 H new ATOM 0 HD21 LEU A 88 82.623 52.427 2.026 1.00 27.86 H new ATOM 0 HD22 LEU A 88 82.890 51.291 0.955 1.00 27.86 H new ATOM 0 HD23 LEU A 88 81.835 51.056 2.112 1.00 27.86 H new ATOM 713 N SER A 89 86.105 46.705 3.654 1.00 38.74 N ATOM 714 CA SER A 89 86.062 45.430 4.355 1.00 42.81 C ATOM 715 C SER A 89 86.029 45.665 5.853 1.00 45.52 C ATOM 716 O SER A 89 85.569 46.755 6.271 1.00 48.70 O ATOM 717 CB SER A 89 87.277 44.566 3.994 1.00 44.05 C ATOM 718 OG SER A 89 88.495 45.235 4.264 1.00 46.46 O ATOM 719 OXT SER A 89 86.463 44.756 6.589 1.00 50.05 O ATOM 0 H SER A 89 86.891 47.044 3.575 1.00 38.74 H new ATOM 0 HA SER A 89 85.258 44.960 4.083 1.00 42.81 H new ATOM 0 HB2 SER A 89 87.245 43.737 4.496 1.00 44.05 H new ATOM 0 HB3 SER A 89 87.239 44.330 3.054 1.00 44.05 H new ATOM 0 HG SER A 89 89.123 44.848 3.862 1.00 46.46 H new TER 720 SER A 89 ATOM 721 N LYS B 1 77.301 34.335 -2.133 1.00 50.73 N ATOM 722 CA LYS B 1 78.654 34.695 -1.621 1.00 49.13 C ATOM 723 C LYS B 1 79.189 35.915 -2.375 1.00 49.30 C ATOM 724 O LYS B 1 79.535 36.928 -1.766 1.00 51.29 O ATOM 725 CB LYS B 1 79.612 33.505 -1.779 1.00 47.45 C ATOM 726 CG LYS B 1 80.430 33.193 -0.532 1.00 45.50 C ATOM 727 CD LYS B 1 81.906 32.892 -0.865 1.00 46.95 C ATOM 728 CE LYS B 1 82.673 34.105 -1.450 1.00 44.17 C ATOM 729 NZ LYS B 1 83.775 34.595 -0.565 1.00 35.04 N ATOM 0 H1 LYS B 1 76.995 33.625 -1.691 1.00 50.73 H new ATOM 0 H2 LYS B 1 76.746 35.020 -2.013 1.00 50.73 H new ATOM 0 H3 LYS B 1 77.353 34.144 -3.001 1.00 50.73 H new ATOM 0 HA LYS B 1 78.588 34.915 -0.679 1.00 49.13 H new ATOM 0 HB2 LYS B 1 79.098 32.719 -2.022 1.00 47.45 H new ATOM 0 HB3 LYS B 1 80.218 33.686 -2.514 1.00 47.45 H new ATOM 0 HG2 LYS B 1 80.385 33.945 0.079 1.00 45.50 H new ATOM 0 HG3 LYS B 1 80.041 32.431 -0.074 1.00 45.50 H new ATOM 0 HD2 LYS B 1 82.356 32.593 -0.060 1.00 46.95 H new ATOM 0 HD3 LYS B 1 81.943 32.159 -1.500 1.00 46.95 H new ATOM 0 HE2 LYS B 1 83.045 33.859 -2.312 1.00 44.17 H new ATOM 0 HE3 LYS B 1 82.047 34.829 -1.607 1.00 44.17 H new ATOM 0 HZ1 LYS B 1 84.179 35.289 -0.949 1.00 35.04 H new ATOM 0 HZ2 LYS B 1 83.437 34.846 0.219 1.00 35.04 H new ATOM 0 HZ3 LYS B 1 84.366 33.942 -0.437 1.00 35.04 H new ATOM 730 N LYS B 2 79.244 35.828 -3.698 1.00 46.79 N ATOM 731 CA LYS B 2 79.744 36.935 -4.492 1.00 47.49 C ATOM 732 C LYS B 2 78.593 37.507 -5.276 1.00 45.10 C ATOM 733 O LYS B 2 77.833 36.765 -5.875 1.00 47.09 O ATOM 734 CB LYS B 2 80.827 36.456 -5.458 1.00 53.04 C ATOM 735 CG LYS B 2 82.143 36.022 -4.795 1.00 62.04 C ATOM 736 CD LYS B 2 83.214 35.631 -5.828 1.00 66.64 C ATOM 737 CE LYS B 2 83.324 36.647 -6.960 1.00 71.60 C ATOM 738 NZ LYS B 2 83.073 38.047 -6.495 1.00 70.77 N ATOM 0 H LYS B 2 78.998 35.140 -4.151 1.00 46.79 H new ATOM 0 HA LYS B 2 80.130 37.606 -3.908 1.00 47.49 H new ATOM 0 HB2 LYS B 2 80.477 35.710 -5.970 1.00 53.04 H new ATOM 0 HB3 LYS B 2 81.018 37.169 -6.088 1.00 53.04 H new ATOM 0 HG2 LYS B 2 82.478 36.745 -4.242 1.00 62.04 H new ATOM 0 HG3 LYS B 2 81.974 35.270 -4.207 1.00 62.04 H new ATOM 0 HD2 LYS B 2 84.073 35.549 -5.385 1.00 66.64 H new ATOM 0 HD3 LYS B 2 83.001 34.760 -6.198 1.00 66.64 H new ATOM 0 HE2 LYS B 2 84.208 36.593 -7.355 1.00 71.60 H new ATOM 0 HE3 LYS B 2 82.688 36.421 -7.657 1.00 71.60 H new ATOM 0 HZ1 LYS B 2 83.583 38.610 -6.959 1.00 70.77 H new ATOM 0 HZ2 LYS B 2 82.216 38.252 -6.619 1.00 70.77 H new ATOM 0 HZ3 LYS B 2 83.271 38.113 -5.630 1.00 70.77 H new ATOM 739 N ALA B 3 78.459 38.825 -5.265 1.00 42.53 N ATOM 740 CA ALA B 3 77.390 39.486 -5.993 1.00 39.28 C ATOM 741 C ALA B 3 78.019 40.526 -6.901 1.00 39.09 C ATOM 742 O ALA B 3 79.051 41.101 -6.565 1.00 42.28 O ATOM 743 CB ALA B 3 76.426 40.148 -5.016 1.00 39.55 C ATOM 0 H ALA B 3 78.982 39.358 -4.838 1.00 42.53 H new ATOM 0 HA ALA B 3 76.889 38.843 -6.519 1.00 39.28 H new ATOM 0 HB1 ALA B 3 75.716 40.587 -5.509 1.00 39.55 H new ATOM 0 HB2 ALA B 3 76.045 39.475 -4.431 1.00 39.55 H new ATOM 0 HB3 ALA B 3 76.903 40.804 -4.485 1.00 39.55 H new ATOM 744 N VAL B 4 77.408 40.767 -8.056 1.00 37.74 N ATOM 745 CA VAL B 4 77.950 41.751 -8.982 1.00 32.45 C ATOM 746 C VAL B 4 76.900 42.642 -9.611 1.00 32.95 C ATOM 747 O VAL B 4 75.971 42.176 -10.278 1.00 30.29 O ATOM 748 CB VAL B 4 78.729 41.090 -10.106 1.00 31.06 C ATOM 749 CG1 VAL B 4 79.259 42.153 -11.028 1.00 28.83 C ATOM 750 CG2 VAL B 4 79.865 40.239 -9.529 1.00 29.82 C ATOM 0 H VAL B 4 76.688 40.377 -8.319 1.00 37.74 H new ATOM 0 HA VAL B 4 78.532 42.301 -8.435 1.00 32.45 H new ATOM 0 HB VAL B 4 78.146 40.502 -10.611 1.00 31.06 H new ATOM 0 HG11 VAL B 4 79.758 41.737 -11.749 1.00 28.83 H new ATOM 0 HG12 VAL B 4 78.519 42.659 -11.398 1.00 28.83 H new ATOM 0 HG13 VAL B 4 79.843 42.749 -10.533 1.00 28.83 H new ATOM 0 HG21 VAL B 4 80.357 39.821 -10.253 1.00 29.82 H new ATOM 0 HG22 VAL B 4 80.464 40.804 -9.016 1.00 29.82 H new ATOM 0 HG23 VAL B 4 79.495 39.553 -8.952 1.00 29.82 H new ATOM 751 N ILE B 5 77.092 43.940 -9.404 1.00 35.01 N ATOM 752 CA ILE B 5 76.206 44.972 -9.900 1.00 35.28 C ATOM 753 C ILE B 5 76.975 45.895 -10.834 1.00 39.65 C ATOM 754 O ILE B 5 78.018 46.432 -10.460 1.00 42.13 O ATOM 755 CB ILE B 5 75.672 45.818 -8.732 1.00 32.45 C ATOM 756 CG1 ILE B 5 74.693 44.991 -7.902 1.00 33.77 C ATOM 757 CG2 ILE B 5 75.048 47.105 -9.256 1.00 29.33 C ATOM 758 CD1 ILE B 5 74.864 45.165 -6.401 1.00 33.36 C ATOM 0 H ILE B 5 77.760 44.248 -8.959 1.00 35.01 H new ATOM 0 HA ILE B 5 75.469 44.547 -10.367 1.00 35.28 H new ATOM 0 HB ILE B 5 76.404 46.075 -8.150 1.00 32.45 H new ATOM 0 HG12 ILE B 5 73.787 45.236 -8.147 1.00 33.77 H new ATOM 0 HG13 ILE B 5 74.804 44.054 -8.125 1.00 33.77 H new ATOM 0 HG21 ILE B 5 74.715 47.630 -8.511 1.00 29.33 H new ATOM 0 HG22 ILE B 5 75.717 47.616 -9.738 1.00 29.33 H new ATOM 0 HG23 ILE B 5 74.314 46.890 -9.853 1.00 29.33 H new ATOM 0 HD11 ILE B 5 74.215 44.615 -5.935 1.00 33.36 H new ATOM 0 HD12 ILE B 5 75.760 44.895 -6.144 1.00 33.36 H new ATOM 0 HD13 ILE B 5 74.727 46.096 -6.165 1.00 33.36 H new ATOM 759 N ASN B 6 76.475 46.071 -12.053 1.00 43.23 N ATOM 760 CA ASN B 6 77.117 46.974 -13.002 1.00 45.41 C ATOM 761 C ASN B 6 76.172 48.141 -13.234 1.00 45.77 C ATOM 762 O ASN B 6 75.167 47.995 -13.917 1.00 48.61 O ATOM 763 CB ASN B 6 77.409 46.293 -14.348 1.00 46.98 C ATOM 764 CG ASN B 6 77.028 44.835 -14.367 1.00 52.55 C ATOM 765 OD1 ASN B 6 75.920 44.456 -13.967 1.00 59.53 O ATOM 766 ND2 ASN B 6 77.943 43.999 -14.845 1.00 53.21 N ATOM 0 H ASN B 6 75.769 45.679 -12.349 1.00 43.23 H new ATOM 0 HA ASN B 6 77.967 47.261 -12.633 1.00 45.41 H new ATOM 0 HB2 ASN B 6 76.927 46.757 -15.050 1.00 46.98 H new ATOM 0 HB3 ASN B 6 78.354 46.378 -14.549 1.00 46.98 H new ATOM 0 HD21 ASN B 6 77.776 43.156 -14.886 1.00 53.21 H new ATOM 0 HD22 ASN B 6 78.702 44.300 -15.114 1.00 53.21 H new ATOM 767 N GLY B 7 76.491 49.294 -12.663 1.00 45.44 N ATOM 768 CA GLY B 7 75.641 50.451 -12.835 1.00 47.64 C ATOM 769 C GLY B 7 75.377 50.707 -14.298 1.00 50.97 C ATOM 770 O GLY B 7 74.577 51.552 -14.655 1.00 55.22 O ATOM 0 H GLY B 7 77.189 49.423 -12.177 1.00 45.44 H new ATOM 0 HA2 GLY B 7 74.801 50.313 -12.370 1.00 47.64 H new ATOM 0 HA3 GLY B 7 76.062 51.229 -12.437 1.00 47.64 H new ATOM 771 N GLU B 8 76.059 49.971 -15.157 1.00 53.79 N ATOM 772 CA GLU B 8 75.875 50.143 -16.580 1.00 56.80 C ATOM 773 C GLU B 8 74.427 49.901 -16.990 1.00 55.45 C ATOM 774 O GLU B 8 73.894 50.627 -17.813 1.00 57.23 O ATOM 775 CB GLU B 8 76.802 49.189 -17.342 1.00 63.13 C ATOM 776 CG GLU B 8 77.396 49.775 -18.624 1.00 73.79 C ATOM 777 CD GLU B 8 77.581 48.735 -19.731 1.00 78.64 C ATOM 778 OE1 GLU B 8 77.533 47.522 -19.418 1.00 80.91 O ATOM 779 OE2 GLU B 8 77.774 49.130 -20.908 1.00 78.34 O ATOM 0 H GLU B 8 76.631 49.368 -14.936 1.00 53.79 H new ATOM 0 HA GLU B 8 76.097 51.061 -16.803 1.00 56.80 H new ATOM 0 HB2 GLU B 8 77.527 48.922 -16.755 1.00 63.13 H new ATOM 0 HB3 GLU B 8 76.308 48.385 -17.566 1.00 63.13 H new ATOM 0 HG2 GLU B 8 76.818 50.484 -18.947 1.00 73.79 H new ATOM 0 HG3 GLU B 8 78.254 50.179 -18.421 1.00 73.79 H new ATOM 780 N GLN B 9 73.781 48.901 -16.403 1.00 54.91 N ATOM 781 CA GLN B 9 72.405 48.577 -16.773 1.00 56.87 C ATOM 782 C GLN B 9 71.305 49.020 -15.817 1.00 56.70 C ATOM 783 O GLN B 9 70.127 49.013 -16.197 1.00 57.89 O ATOM 784 CB GLN B 9 72.268 47.074 -17.008 1.00 60.19 C ATOM 785 CG GLN B 9 73.564 46.311 -16.831 1.00 66.07 C ATOM 786 CD GLN B 9 74.106 45.764 -18.135 1.00 67.54 C ATOM 787 OE1 GLN B 9 75.235 46.071 -18.533 1.00 68.28 O ATOM 788 NE2 GLN B 9 73.304 44.944 -18.809 1.00 67.55 N ATOM 0 H GLN B 9 74.117 48.399 -15.791 1.00 54.91 H new ATOM 0 HA GLN B 9 72.261 49.099 -17.578 1.00 56.87 H new ATOM 0 HB2 GLN B 9 71.606 46.718 -16.395 1.00 60.19 H new ATOM 0 HB3 GLN B 9 71.933 46.924 -17.906 1.00 60.19 H new ATOM 0 HG2 GLN B 9 74.226 46.895 -16.430 1.00 66.07 H new ATOM 0 HG3 GLN B 9 73.421 45.578 -16.212 1.00 66.07 H new ATOM 0 HE21 GLN B 9 72.525 44.754 -18.499 1.00 67.55 H new ATOM 0 HE22 GLN B 9 73.565 44.604 -19.554 1.00 67.55 H new ATOM 789 N ILE B 10 71.671 49.384 -14.588 1.00 56.02 N ATOM 790 CA ILE B 10 70.686 49.827 -13.598 1.00 53.81 C ATOM 791 C ILE B 10 70.158 51.180 -14.052 1.00 57.36 C ATOM 792 O ILE B 10 70.555 52.224 -13.533 1.00 58.45 O ATOM 793 CB ILE B 10 71.307 49.953 -12.178 1.00 47.50 C ATOM 794 CG1 ILE B 10 71.557 48.568 -11.596 1.00 43.12 C ATOM 795 CG2 ILE B 10 70.345 50.641 -11.238 1.00 47.80 C ATOM 796 CD1 ILE B 10 72.887 48.017 -11.920 1.00 41.80 C ATOM 0 H ILE B 10 72.484 49.382 -14.307 1.00 56.02 H new ATOM 0 HA ILE B 10 69.974 49.171 -13.538 1.00 53.81 H new ATOM 0 HB ILE B 10 72.131 50.458 -12.264 1.00 47.50 H new ATOM 0 HG12 ILE B 10 71.459 48.609 -10.632 1.00 43.12 H new ATOM 0 HG13 ILE B 10 70.876 47.961 -11.924 1.00 43.12 H new ATOM 0 HG21 ILE B 10 70.747 50.712 -10.358 1.00 47.80 H new ATOM 0 HG22 ILE B 10 70.144 51.529 -11.573 1.00 47.80 H new ATOM 0 HG23 ILE B 10 69.526 50.125 -11.178 1.00 47.80 H new ATOM 0 HD11 ILE B 10 72.979 47.138 -11.521 1.00 41.80 H new ATOM 0 HD12 ILE B 10 72.982 47.946 -12.883 1.00 41.80 H new ATOM 0 HD13 ILE B 10 73.575 48.605 -11.570 1.00 41.80 H new ATOM 797 N ARG B 11 69.269 51.150 -15.039 1.00 60.27 N ATOM 798 CA ARG B 11 68.688 52.366 -15.588 1.00 62.14 C ATOM 799 C ARG B 11 67.647 52.955 -14.650 1.00 62.69 C ATOM 800 O ARG B 11 67.296 54.125 -14.774 1.00 63.64 O ATOM 801 CB ARG B 11 68.058 52.072 -16.948 1.00 64.75 C ATOM 802 CG ARG B 11 68.698 52.823 -18.107 1.00 66.51 C ATOM 803 CD ARG B 11 69.897 52.072 -18.687 1.00 68.65 C ATOM 804 NE ARG B 11 69.573 50.703 -19.105 1.00 72.32 N ATOM 805 CZ ARG B 11 70.414 49.892 -19.749 1.00 73.19 C ATOM 806 NH1 ARG B 11 71.642 50.305 -20.059 1.00 72.17 N ATOM 807 NH2 ARG B 11 70.031 48.664 -20.084 1.00 71.95 N ATOM 0 H ARG B 11 68.987 50.426 -15.407 1.00 60.27 H new ATOM 0 HA ARG B 11 69.398 53.018 -15.694 1.00 62.14 H new ATOM 0 HB2 ARG B 11 68.117 51.119 -17.121 1.00 64.75 H new ATOM 0 HB3 ARG B 11 67.115 52.296 -16.912 1.00 64.75 H new ATOM 0 HG2 ARG B 11 68.038 52.963 -18.804 1.00 66.51 H new ATOM 0 HG3 ARG B 11 68.982 53.700 -17.805 1.00 66.51 H new ATOM 0 HD2 ARG B 11 70.242 52.564 -19.449 1.00 68.65 H new ATOM 0 HD3 ARG B 11 70.605 52.043 -18.024 1.00 68.65 H new ATOM 0 HE ARG B 11 68.788 50.403 -18.922 1.00 72.32 H new ATOM 0 HH11 ARG B 11 71.896 51.098 -19.844 1.00 72.17 H new ATOM 0 HH12 ARG B 11 72.181 49.779 -20.474 1.00 72.17 H new ATOM 0 HH21 ARG B 11 69.240 48.391 -19.886 1.00 71.95 H new ATOM 0 HH22 ARG B 11 70.574 48.142 -20.499 1.00 71.95 H new ATOM 808 N SER B 12 67.166 52.142 -13.711 1.00 63.43 N ATOM 809 CA SER B 12 66.157 52.575 -12.742 1.00 61.78 C ATOM 810 C SER B 12 66.317 51.928 -11.363 1.00 61.21 C ATOM 811 O SER B 12 66.948 50.875 -11.216 1.00 61.03 O ATOM 812 CB SER B 12 64.767 52.263 -13.271 1.00 61.44 C ATOM 813 OG SER B 12 64.489 50.889 -13.098 1.00 61.08 O ATOM 0 H SER B 12 67.415 51.324 -13.617 1.00 63.43 H new ATOM 0 HA SER B 12 66.282 53.530 -12.629 1.00 61.78 H new ATOM 0 HB2 SER B 12 64.106 52.797 -12.803 1.00 61.44 H new ATOM 0 HB3 SER B 12 64.709 52.498 -14.210 1.00 61.44 H new ATOM 0 HG SER B 12 63.720 50.720 -13.390 1.00 61.08 H new ATOM 814 N ILE B 13 65.721 52.562 -10.357 1.00 60.13 N ATOM 815 CA ILE B 13 65.796 52.075 -8.985 1.00 58.40 C ATOM 816 C ILE B 13 65.086 50.744 -8.829 1.00 56.87 C ATOM 817 O ILE B 13 65.213 50.081 -7.810 1.00 56.50 O ATOM 818 CB ILE B 13 65.189 53.085 -8.012 1.00 58.41 C ATOM 819 CG1 ILE B 13 65.164 52.512 -6.602 1.00 55.15 C ATOM 820 CG2 ILE B 13 63.811 53.467 -8.481 1.00 63.97 C ATOM 821 CD1 ILE B 13 66.455 52.704 -5.886 1.00 58.56 C ATOM 0 H ILE B 13 65.263 53.284 -10.451 1.00 60.13 H new ATOM 0 HA ILE B 13 66.736 51.955 -8.778 1.00 58.40 H new ATOM 0 HB ILE B 13 65.736 53.886 -7.989 1.00 58.41 H new ATOM 0 HG12 ILE B 13 64.452 52.934 -6.097 1.00 55.15 H new ATOM 0 HG13 ILE B 13 64.959 51.565 -6.644 1.00 55.15 H new ATOM 0 HG21 ILE B 13 63.425 54.108 -7.864 1.00 63.97 H new ATOM 0 HG22 ILE B 13 63.868 53.863 -9.365 1.00 63.97 H new ATOM 0 HG23 ILE B 13 63.251 52.676 -8.517 1.00 63.97 H new ATOM 0 HD11 ILE B 13 66.391 52.324 -4.996 1.00 58.56 H new ATOM 0 HD12 ILE B 13 67.166 52.261 -6.376 1.00 58.56 H new ATOM 0 HD13 ILE B 13 66.651 53.652 -5.820 1.00 58.56 H new ATOM 822 N SER B 14 64.327 50.349 -9.837 1.00 57.26 N ATOM 823 CA SER B 14 63.644 49.069 -9.766 1.00 59.30 C ATOM 824 C SER B 14 64.566 48.061 -10.401 1.00 56.77 C ATOM 825 O SER B 14 64.504 46.866 -10.111 1.00 54.78 O ATOM 826 CB SER B 14 62.325 49.112 -10.524 1.00 64.67 C ATOM 827 OG SER B 14 61.241 48.820 -9.653 1.00 75.33 O ATOM 0 H SER B 14 64.195 50.797 -10.559 1.00 57.26 H new ATOM 0 HA SER B 14 63.439 48.841 -8.846 1.00 59.30 H new ATOM 0 HB2 SER B 14 62.202 49.989 -10.920 1.00 64.67 H new ATOM 0 HB3 SER B 14 62.343 48.472 -11.252 1.00 64.67 H new ATOM 0 HG SER B 14 60.520 48.849 -10.083 1.00 75.33 H new ATOM 828 N ASP B 15 65.417 48.568 -11.286 1.00 56.87 N ATOM 829 CA ASP B 15 66.401 47.744 -11.974 1.00 57.11 C ATOM 830 C ASP B 15 67.275 47.221 -10.848 1.00 52.60 C ATOM 831 O ASP B 15 67.597 46.030 -10.770 1.00 51.72 O ATOM 832 CB ASP B 15 67.251 48.599 -12.932 1.00 62.75 C ATOM 833 CG ASP B 15 66.530 48.926 -14.249 1.00 68.36 C ATOM 834 OD1 ASP B 15 65.443 48.357 -14.504 1.00 71.34 O ATOM 835 OD2 ASP B 15 67.057 49.754 -15.033 1.00 68.69 O ATOM 0 H ASP B 15 65.440 49.400 -11.504 1.00 56.87 H new ATOM 0 HA ASP B 15 65.994 47.044 -12.508 1.00 57.11 H new ATOM 0 HB2 ASP B 15 67.494 49.427 -12.489 1.00 62.75 H new ATOM 0 HB3 ASP B 15 68.077 48.130 -13.129 1.00 62.75 H new ATOM 836 N LEU B 16 67.635 48.145 -9.969 1.00 45.91 N ATOM 837 CA LEU B 16 68.463 47.859 -8.815 1.00 41.31 C ATOM 838 C LEU B 16 67.986 46.672 -7.964 1.00 39.74 C ATOM 839 O LEU B 16 68.790 45.804 -7.609 1.00 38.95 O ATOM 840 CB LEU B 16 68.527 49.113 -7.952 1.00 39.43 C ATOM 841 CG LEU B 16 69.889 49.699 -7.600 1.00 38.46 C ATOM 842 CD1 LEU B 16 69.695 50.793 -6.562 1.00 34.64 C ATOM 843 CD2 LEU B 16 70.811 48.594 -7.094 1.00 34.84 C ATOM 0 H LEU B 16 67.399 48.970 -10.030 1.00 45.91 H new ATOM 0 HA LEU B 16 69.336 47.601 -9.151 1.00 41.31 H new ATOM 0 HB2 LEU B 16 68.018 49.805 -8.403 1.00 39.43 H new ATOM 0 HB3 LEU B 16 68.068 48.920 -7.120 1.00 39.43 H new ATOM 0 HG LEU B 16 70.306 50.089 -8.384 1.00 38.46 H new ATOM 0 HD11 LEU B 16 70.556 51.175 -6.329 1.00 34.64 H new ATOM 0 HD12 LEU B 16 69.122 51.486 -6.925 1.00 34.64 H new ATOM 0 HD13 LEU B 16 69.283 50.417 -5.768 1.00 34.64 H new ATOM 0 HD21 LEU B 16 71.676 48.971 -6.871 1.00 34.84 H new ATOM 0 HD22 LEU B 16 70.424 48.186 -6.304 1.00 34.84 H new ATOM 0 HD23 LEU B 16 70.920 47.922 -7.785 1.00 34.84 H new ATOM 844 N HIS B 17 66.686 46.649 -7.638 1.00 37.37 N ATOM 845 CA HIS B 17 66.080 45.613 -6.799 1.00 33.03 C ATOM 846 C HIS B 17 65.882 44.316 -7.557 1.00 37.04 C ATOM 847 O HIS B 17 65.946 43.221 -6.983 1.00 35.51 O ATOM 848 CB HIS B 17 64.729 46.088 -6.250 1.00 29.70 C ATOM 849 CG HIS B 17 64.841 47.139 -5.189 1.00 28.54 C ATOM 850 ND1 HIS B 17 65.175 46.845 -3.885 1.00 28.80 N ATOM 851 CD2 HIS B 17 64.722 48.487 -5.251 1.00 27.81 C ATOM 852 CE1 HIS B 17 65.265 47.967 -3.191 1.00 27.38 C ATOM 853 NE2 HIS B 17 64.995 48.978 -3.996 1.00 28.40 N ATOM 0 H HIS B 17 66.126 47.245 -7.904 1.00 37.37 H new ATOM 0 HA HIS B 17 66.693 45.448 -6.066 1.00 33.03 H new ATOM 0 HB2 HIS B 17 64.196 46.436 -6.982 1.00 29.70 H new ATOM 0 HB3 HIS B 17 64.251 45.326 -5.888 1.00 29.70 H new ATOM 0 HD2 HIS B 17 64.498 48.987 -6.002 1.00 27.81 H new ATOM 0 HE1 HIS B 17 65.482 48.033 -2.289 1.00 27.38 H new ATOM 0 HE2 HIS B 17 64.991 49.808 -3.772 1.00 28.40 H new ATOM 854 N GLN B 18 65.618 44.432 -8.853 1.00 40.35 N ATOM 855 CA GLN B 18 65.435 43.248 -9.672 1.00 41.76 C ATOM 856 C GLN B 18 66.754 42.497 -9.705 1.00 39.81 C ATOM 857 O GLN B 18 66.777 41.277 -9.680 1.00 36.15 O ATOM 858 CB GLN B 18 65.044 43.640 -11.087 1.00 48.58 C ATOM 859 CG GLN B 18 63.971 42.770 -11.664 1.00 56.51 C ATOM 860 CD GLN B 18 62.635 43.017 -11.002 1.00 61.70 C ATOM 861 OE1 GLN B 18 62.030 42.100 -10.434 1.00 63.74 O ATOM 862 NE2 GLN B 18 62.161 44.263 -11.069 1.00 64.03 N ATOM 0 H GLN B 18 65.542 45.179 -9.271 1.00 40.35 H new ATOM 0 HA GLN B 18 64.730 42.695 -9.301 1.00 41.76 H new ATOM 0 HB2 GLN B 18 64.741 44.562 -11.089 1.00 48.58 H new ATOM 0 HB3 GLN B 18 65.828 43.598 -11.657 1.00 48.58 H new ATOM 0 HG2 GLN B 18 63.896 42.937 -12.617 1.00 56.51 H new ATOM 0 HG3 GLN B 18 64.218 41.838 -11.558 1.00 56.51 H new ATOM 0 HE21 GLN B 18 62.612 44.873 -11.473 1.00 64.03 H new ATOM 0 HE22 GLN B 18 61.405 44.455 -10.708 1.00 64.03 H new ATOM 863 N THR B 19 67.851 43.254 -9.760 1.00 40.35 N ATOM 864 CA THR B 19 69.211 42.710 -9.806 1.00 38.40 C ATOM 865 C THR B 19 69.635 42.096 -8.475 1.00 37.79 C ATOM 866 O THR B 19 70.155 40.978 -8.427 1.00 34.49 O ATOM 867 CB THR B 19 70.225 43.808 -10.180 1.00 38.27 C ATOM 868 OG1 THR B 19 69.868 44.379 -11.445 1.00 38.90 O ATOM 869 CG2 THR B 19 71.626 43.237 -10.262 1.00 37.47 C ATOM 0 H THR B 19 67.826 44.114 -9.772 1.00 40.35 H new ATOM 0 HA THR B 19 69.203 42.014 -10.481 1.00 38.40 H new ATOM 0 HB THR B 19 70.208 44.492 -9.493 1.00 38.27 H new ATOM 0 HG1 THR B 19 69.203 44.883 -11.347 1.00 38.90 H new ATOM 0 HG21 THR B 19 72.249 43.942 -10.498 1.00 37.47 H new ATOM 0 HG22 THR B 19 71.873 42.861 -9.403 1.00 37.47 H new ATOM 0 HG23 THR B 19 71.653 42.542 -10.938 1.00 37.47 H new ATOM 870 N LEU B 20 69.424 42.843 -7.396 1.00 38.41 N ATOM 871 CA LEU B 20 69.758 42.366 -6.057 1.00 38.16 C ATOM 872 C LEU B 20 68.992 41.062 -5.765 1.00 37.75 C ATOM 873 O LEU B 20 69.557 40.103 -5.233 1.00 36.69 O ATOM 874 CB LEU B 20 69.405 43.448 -5.029 1.00 36.67 C ATOM 875 CG LEU B 20 70.530 44.180 -4.286 1.00 35.42 C ATOM 876 CD1 LEU B 20 71.834 44.116 -5.076 1.00 29.66 C ATOM 877 CD2 LEU B 20 70.097 45.619 -4.036 1.00 31.85 C ATOM 0 H LEU B 20 69.086 43.634 -7.418 1.00 38.41 H new ATOM 0 HA LEU B 20 70.709 42.182 -6.000 1.00 38.16 H new ATOM 0 HB2 LEU B 20 68.873 44.119 -5.484 1.00 36.67 H new ATOM 0 HB3 LEU B 20 68.834 43.039 -4.361 1.00 36.67 H new ATOM 0 HG LEU B 20 70.696 43.747 -3.434 1.00 35.42 H new ATOM 0 HD11 LEU B 20 72.531 44.584 -4.589 1.00 29.66 H new ATOM 0 HD12 LEU B 20 72.093 43.189 -5.199 1.00 29.66 H new ATOM 0 HD13 LEU B 20 71.709 44.534 -5.942 1.00 29.66 H new ATOM 0 HD21 LEU B 20 70.801 46.092 -3.566 1.00 31.85 H new ATOM 0 HD22 LEU B 20 69.924 46.057 -4.884 1.00 31.85 H new ATOM 0 HD23 LEU B 20 69.290 45.625 -3.498 1.00 31.85 H new ATOM 878 N LYS B 21 67.708 41.033 -6.123 1.00 38.20 N ATOM 879 CA LYS B 21 66.878 39.851 -5.919 1.00 37.57 C ATOM 880 C LYS B 21 67.564 38.631 -6.506 1.00 36.67 C ATOM 881 O LYS B 21 67.687 37.613 -5.840 1.00 35.33 O ATOM 882 CB LYS B 21 65.514 40.030 -6.580 1.00 39.22 C ATOM 883 CG LYS B 21 64.517 38.928 -6.259 1.00 38.10 C ATOM 884 CD LYS B 21 63.108 39.493 -6.225 1.00 46.91 C ATOM 885 CE LYS B 21 62.057 38.411 -6.026 1.00 51.26 C ATOM 886 NZ LYS B 21 60.758 38.763 -6.687 1.00 59.14 N ATOM 0 H LYS B 21 67.298 41.695 -6.488 1.00 38.20 H new ATOM 0 HA LYS B 21 66.751 39.728 -4.965 1.00 37.57 H new ATOM 0 HB2 LYS B 21 65.141 40.881 -6.303 1.00 39.22 H new ATOM 0 HB3 LYS B 21 65.635 40.073 -7.541 1.00 39.22 H new ATOM 0 HG2 LYS B 21 64.575 38.225 -6.925 1.00 38.10 H new ATOM 0 HG3 LYS B 21 64.733 38.526 -5.403 1.00 38.10 H new ATOM 0 HD2 LYS B 21 63.040 40.143 -5.508 1.00 46.91 H new ATOM 0 HD3 LYS B 21 62.931 39.965 -7.054 1.00 46.91 H new ATOM 0 HE2 LYS B 21 62.385 37.572 -6.386 1.00 51.26 H new ATOM 0 HE3 LYS B 21 61.910 38.275 -5.077 1.00 51.26 H new ATOM 0 HZ1 LYS B 21 60.092 38.338 -6.278 1.00 59.14 H new ATOM 0 HZ2 LYS B 21 60.626 39.641 -6.633 1.00 59.14 H new ATOM 0 HZ3 LYS B 21 60.784 38.519 -7.543 1.00 59.14 H new ATOM 887 N LYS B 22 68.017 38.728 -7.751 1.00 39.00 N ATOM 888 CA LYS B 22 68.699 37.592 -8.373 1.00 45.64 C ATOM 889 C LYS B 22 70.116 37.374 -7.837 1.00 45.79 C ATOM 890 O LYS B 22 70.498 36.251 -7.493 1.00 45.02 O ATOM 891 CB LYS B 22 68.786 37.751 -9.897 1.00 48.72 C ATOM 892 CG LYS B 22 67.969 38.878 -10.471 1.00 58.03 C ATOM 893 CD LYS B 22 67.529 38.560 -11.891 1.00 63.93 C ATOM 894 CE LYS B 22 66.334 39.415 -12.316 1.00 70.31 C ATOM 895 NZ LYS B 22 65.338 39.619 -11.214 1.00 72.46 N ATOM 0 H LYS B 22 67.943 39.427 -8.247 1.00 39.00 H new ATOM 0 HA LYS B 22 68.158 36.820 -8.145 1.00 45.64 H new ATOM 0 HB2 LYS B 22 69.715 37.887 -10.141 1.00 48.72 H new ATOM 0 HB3 LYS B 22 68.502 36.921 -10.311 1.00 48.72 H new ATOM 0 HG2 LYS B 22 67.190 39.034 -9.914 1.00 58.03 H new ATOM 0 HG3 LYS B 22 68.490 39.696 -10.465 1.00 58.03 H new ATOM 0 HD2 LYS B 22 68.268 38.710 -12.501 1.00 63.93 H new ATOM 0 HD3 LYS B 22 67.295 37.621 -11.955 1.00 63.93 H new ATOM 0 HE2 LYS B 22 66.653 40.279 -12.621 1.00 70.31 H new ATOM 0 HE3 LYS B 22 65.893 38.993 -13.070 1.00 70.31 H new ATOM 0 HZ1 LYS B 22 64.531 39.756 -11.564 1.00 72.46 H new ATOM 0 HZ2 LYS B 22 65.317 38.896 -10.695 1.00 72.46 H new ATOM 0 HZ3 LYS B 22 65.574 40.326 -10.728 1.00 72.46 H new ATOM 896 N GLU B 23 70.894 38.451 -7.772 1.00 44.81 N ATOM 897 CA GLU B 23 72.269 38.358 -7.313 1.00 42.72 C ATOM 898 C GLU B 23 72.372 37.802 -5.912 1.00 41.20 C ATOM 899 O GLU B 23 73.188 36.914 -5.649 1.00 42.83 O ATOM 900 CB GLU B 23 72.943 39.724 -7.379 1.00 44.01 C ATOM 901 CG GLU B 23 73.135 40.235 -8.793 1.00 47.40 C ATOM 902 CD GLU B 23 74.025 39.332 -9.638 1.00 50.42 C ATOM 903 OE1 GLU B 23 74.799 38.527 -9.061 1.00 45.10 O ATOM 904 OE2 GLU B 23 73.945 39.436 -10.888 1.00 55.10 O ATOM 0 H GLU B 23 70.641 39.244 -7.990 1.00 44.81 H new ATOM 0 HA GLU B 23 72.725 37.740 -7.906 1.00 42.72 H new ATOM 0 HB2 GLU B 23 72.411 40.364 -6.881 1.00 44.01 H new ATOM 0 HB3 GLU B 23 73.807 39.672 -6.941 1.00 44.01 H new ATOM 0 HG2 GLU B 23 72.269 40.319 -9.221 1.00 47.40 H new ATOM 0 HG3 GLU B 23 73.523 41.124 -8.760 1.00 47.40 H new ATOM 905 N LEU B 24 71.544 38.320 -5.012 1.00 38.82 N ATOM 906 CA LEU B 24 71.559 37.864 -3.626 1.00 34.70 C ATOM 907 C LEU B 24 70.555 36.733 -3.398 1.00 32.85 C ATOM 908 O LEU B 24 70.382 36.256 -2.272 1.00 31.92 O ATOM 909 CB LEU B 24 71.261 39.037 -2.688 1.00 29.77 C ATOM 910 CG LEU B 24 72.265 40.186 -2.663 1.00 23.91 C ATOM 911 CD1 LEU B 24 71.880 41.166 -1.576 1.00 23.21 C ATOM 912 CD2 LEU B 24 73.659 39.649 -2.404 1.00 24.52 C ATOM 0 H LEU B 24 70.967 38.935 -5.182 1.00 38.82 H new ATOM 0 HA LEU B 24 72.443 37.516 -3.433 1.00 34.70 H new ATOM 0 HB2 LEU B 24 70.394 39.401 -2.928 1.00 29.77 H new ATOM 0 HB3 LEU B 24 71.182 38.688 -1.786 1.00 29.77 H new ATOM 0 HG LEU B 24 72.258 40.638 -3.521 1.00 23.91 H new ATOM 0 HD11 LEU B 24 72.517 41.897 -1.559 1.00 23.21 H new ATOM 0 HD12 LEU B 24 70.993 41.515 -1.754 1.00 23.21 H new ATOM 0 HD13 LEU B 24 71.883 40.715 -0.717 1.00 23.21 H new ATOM 0 HD21 LEU B 24 74.292 40.384 -2.389 1.00 24.52 H new ATOM 0 HD22 LEU B 24 73.676 39.191 -1.549 1.00 24.52 H new ATOM 0 HD23 LEU B 24 73.902 39.027 -3.108 1.00 24.52 H new ATOM 913 N ALA B 25 69.906 36.313 -4.481 1.00 31.33 N ATOM 914 CA ALA B 25 68.918 35.237 -4.439 1.00 31.56 C ATOM 915 C ALA B 25 67.925 35.431 -3.311 1.00 31.86 C ATOM 916 O ALA B 25 67.564 34.478 -2.628 1.00 33.64 O ATOM 917 CB ALA B 25 69.610 33.887 -4.285 1.00 30.06 C ATOM 0 H ALA B 25 70.027 36.646 -5.265 1.00 31.33 H new ATOM 0 HA ALA B 25 68.431 35.259 -5.277 1.00 31.56 H new ATOM 0 HB1 ALA B 25 68.944 33.183 -4.259 1.00 30.06 H new ATOM 0 HB2 ALA B 25 70.205 33.740 -5.037 1.00 30.06 H new ATOM 0 HB3 ALA B 25 70.122 33.878 -3.461 1.00 30.06 H new ATOM 918 N LEU B 26 67.499 36.672 -3.111 1.00 33.32 N ATOM 919 CA LEU B 26 66.532 37.007 -2.070 1.00 33.33 C ATOM 920 C LEU B 26 65.273 36.142 -2.220 1.00 37.12 C ATOM 921 O LEU B 26 65.151 35.381 -3.174 1.00 40.53 O ATOM 922 CB LEU B 26 66.180 38.489 -2.177 1.00 27.54 C ATOM 923 CG LEU B 26 67.100 39.469 -1.451 1.00 24.98 C ATOM 924 CD1 LEU B 26 68.356 38.758 -0.977 1.00 24.01 C ATOM 925 CD2 LEU B 26 67.435 40.614 -2.376 1.00 22.39 C ATOM 0 H LEU B 26 67.762 37.346 -3.575 1.00 33.32 H new ATOM 0 HA LEU B 26 66.917 36.831 -1.197 1.00 33.33 H new ATOM 0 HB2 LEU B 26 66.164 38.729 -3.117 1.00 27.54 H new ATOM 0 HB3 LEU B 26 65.280 38.611 -1.837 1.00 27.54 H new ATOM 0 HG LEU B 26 66.650 39.823 -0.668 1.00 24.98 H new ATOM 0 HD11 LEU B 26 68.932 39.389 -0.518 1.00 24.01 H new ATOM 0 HD12 LEU B 26 68.113 38.042 -0.369 1.00 24.01 H new ATOM 0 HD13 LEU B 26 68.826 38.388 -1.740 1.00 24.01 H new ATOM 0 HD21 LEU B 26 68.019 41.239 -1.919 1.00 22.39 H new ATOM 0 HD22 LEU B 26 67.882 40.272 -3.166 1.00 22.39 H new ATOM 0 HD23 LEU B 26 66.619 41.068 -2.638 1.00 22.39 H new ATOM 926 N PRO B 27 64.308 36.261 -1.299 1.00 38.58 N ATOM 927 CA PRO B 27 63.089 35.448 -1.398 1.00 39.98 C ATOM 928 C PRO B 27 62.151 35.873 -2.518 1.00 42.52 C ATOM 929 O PRO B 27 62.172 37.025 -2.940 1.00 42.78 O ATOM 930 CB PRO B 27 62.438 35.601 -0.027 1.00 39.63 C ATOM 931 CG PRO B 27 63.409 36.396 0.807 1.00 39.27 C ATOM 932 CD PRO B 27 64.263 37.157 -0.138 1.00 37.98 C ATOM 0 HA PRO B 27 63.299 34.529 -1.625 1.00 39.98 H new ATOM 0 HB2 PRO B 27 61.585 36.058 -0.097 1.00 39.63 H new ATOM 0 HB3 PRO B 27 62.264 34.735 0.374 1.00 39.63 H new ATOM 0 HG2 PRO B 27 62.937 36.997 1.405 1.00 39.27 H new ATOM 0 HG3 PRO B 27 63.947 35.809 1.361 1.00 39.27 H new ATOM 0 HD2 PRO B 27 63.879 38.020 -0.360 1.00 37.98 H new ATOM 0 HD3 PRO B 27 65.147 37.325 0.226 1.00 37.98 H new ATOM 933 N GLU B 28 61.314 34.941 -2.972 1.00 46.14 N ATOM 934 CA GLU B 28 60.380 35.196 -4.072 1.00 50.76 C ATOM 935 C GLU B 28 59.463 36.403 -3.872 1.00 50.39 C ATOM 936 O GLU B 28 59.031 37.049 -4.834 1.00 51.34 O ATOM 937 CB GLU B 28 59.528 33.951 -4.327 1.00 54.70 C ATOM 938 CG GLU B 28 59.097 33.776 -5.784 1.00 64.78 C ATOM 939 CD GLU B 28 58.063 32.665 -5.964 1.00 72.53 C ATOM 940 OE1 GLU B 28 56.873 32.870 -5.622 1.00 72.96 O ATOM 941 OE2 GLU B 28 58.444 31.577 -6.452 1.00 79.03 O ATOM 0 H GLU B 28 61.271 34.144 -2.652 1.00 46.14 H new ATOM 0 HA GLU B 28 60.936 35.408 -4.838 1.00 50.76 H new ATOM 0 HB2 GLU B 28 60.028 33.167 -4.051 1.00 54.70 H new ATOM 0 HB3 GLU B 28 58.736 33.993 -3.768 1.00 54.70 H new ATOM 0 HG2 GLU B 28 58.729 34.612 -6.111 1.00 64.78 H new ATOM 0 HG3 GLU B 28 59.876 33.578 -6.326 1.00 64.78 H new ATOM 942 N TYR B 29 59.166 36.713 -2.620 1.00 49.96 N ATOM 943 CA TYR B 29 58.285 37.833 -2.312 1.00 47.95 C ATOM 944 C TYR B 29 59.015 39.144 -2.112 1.00 49.25 C ATOM 945 O TYR B 29 58.382 40.136 -1.759 1.00 49.23 O ATOM 946 CB TYR B 29 57.485 37.550 -1.045 1.00 44.99 C ATOM 947 CG TYR B 29 58.251 36.765 -0.017 1.00 48.36 C ATOM 948 CD1 TYR B 29 58.422 35.375 -0.164 1.00 51.47 C ATOM 949 CD2 TYR B 29 58.804 37.397 1.102 1.00 46.11 C ATOM 950 CE1 TYR B 29 59.123 34.634 0.767 1.00 51.26 C ATOM 951 CE2 TYR B 29 59.514 36.665 2.051 1.00 49.65 C ATOM 952 CZ TYR B 29 59.666 35.280 1.876 1.00 55.01 C ATOM 953 OH TYR B 29 60.348 34.518 2.806 1.00 59.68 O ATOM 0 H TYR B 29 59.463 36.289 -1.933 1.00 49.96 H new ATOM 0 HA TYR B 29 57.707 37.923 -3.086 1.00 47.95 H new ATOM 0 HB2 TYR B 29 57.202 38.392 -0.655 1.00 44.99 H new ATOM 0 HB3 TYR B 29 56.680 37.062 -1.281 1.00 44.99 H new ATOM 0 HD1 TYR B 29 58.055 34.947 -0.904 1.00 51.47 H new ATOM 0 HD2 TYR B 29 58.697 38.314 1.213 1.00 46.11 H new ATOM 0 HE1 TYR B 29 59.231 33.717 0.655 1.00 51.26 H new ATOM 0 HE2 TYR B 29 59.883 37.089 2.792 1.00 49.65 H new ATOM 0 HH TYR B 29 60.628 35.014 3.424 1.00 59.68 H new ATOM 954 N TYR B 30 60.332 39.161 -2.334 1.00 49.62 N ATOM 955 CA TYR B 30 61.111 40.382 -2.134 1.00 45.83 C ATOM 956 C TYR B 30 60.333 41.592 -2.600 1.00 46.40 C ATOM 957 O TYR B 30 60.165 41.813 -3.799 1.00 44.86 O ATOM 958 CB TYR B 30 62.440 40.330 -2.878 1.00 43.90 C ATOM 959 CG TYR B 30 63.256 41.586 -2.681 1.00 41.52 C ATOM 960 CD1 TYR B 30 63.745 41.933 -1.422 1.00 41.10 C ATOM 961 CD2 TYR B 30 63.502 42.448 -3.740 1.00 39.72 C ATOM 962 CE1 TYR B 30 64.452 43.108 -1.225 1.00 40.57 C ATOM 963 CE2 TYR B 30 64.209 43.626 -3.554 1.00 39.76 C ATOM 964 CZ TYR B 30 64.678 43.951 -2.297 1.00 40.21 C ATOM 965 OH TYR B 30 65.366 45.128 -2.111 1.00 40.75 O ATOM 0 H TYR B 30 60.788 38.482 -2.598 1.00 49.62 H new ATOM 0 HA TYR B 30 61.290 40.452 -1.183 1.00 45.83 H new ATOM 0 HB2 TYR B 30 62.950 39.564 -2.572 1.00 43.90 H new ATOM 0 HB3 TYR B 30 62.274 40.200 -3.825 1.00 43.90 H new ATOM 0 HD1 TYR B 30 63.594 41.365 -0.701 1.00 41.10 H new ATOM 0 HD2 TYR B 30 63.188 42.232 -4.588 1.00 39.72 H new ATOM 0 HE1 TYR B 30 64.772 43.328 -0.380 1.00 40.57 H new ATOM 0 HE2 TYR B 30 64.367 44.195 -4.273 1.00 39.76 H new ATOM 0 HH TYR B 30 65.294 45.606 -2.798 1.00 40.75 H new ATOM 966 N GLY B 31 59.874 42.376 -1.630 1.00 48.80 N ATOM 967 CA GLY B 31 59.082 43.558 -1.911 1.00 52.36 C ATOM 968 C GLY B 31 59.773 44.721 -2.601 1.00 54.27 C ATOM 969 O GLY B 31 59.145 45.753 -2.863 1.00 54.69 O ATOM 0 H GLY B 31 60.015 42.235 -0.793 1.00 48.80 H new ATOM 0 HA2 GLY B 31 58.329 43.289 -2.460 1.00 52.36 H new ATOM 0 HA3 GLY B 31 58.720 43.881 -1.071 1.00 52.36 H new ATOM 970 N GLU B 32 61.057 44.577 -2.901 1.00 53.31 N ATOM 971 CA GLU B 32 61.769 45.660 -3.561 1.00 52.47 C ATOM 972 C GLU B 32 61.623 46.975 -2.804 1.00 52.40 C ATOM 973 O GLU B 32 61.022 47.925 -3.315 1.00 52.44 O ATOM 974 CB GLU B 32 61.237 45.831 -4.971 1.00 50.47 C ATOM 975 CG GLU B 32 60.940 44.518 -5.644 1.00 53.43 C ATOM 976 CD GLU B 32 60.846 44.664 -7.146 1.00 55.93 C ATOM 977 OE1 GLU B 32 60.601 45.807 -7.620 1.00 52.85 O ATOM 978 OE2 GLU B 32 61.017 43.636 -7.844 1.00 55.34 O ATOM 0 H GLU B 32 61.526 43.876 -2.735 1.00 53.31 H new ATOM 0 HA GLU B 32 62.711 45.428 -3.582 1.00 52.47 H new ATOM 0 HB2 GLU B 32 60.429 46.367 -4.945 1.00 50.47 H new ATOM 0 HB3 GLU B 32 61.885 46.322 -5.500 1.00 50.47 H new ATOM 0 HG2 GLU B 32 61.635 43.878 -5.424 1.00 53.43 H new ATOM 0 HG3 GLU B 32 60.106 44.160 -5.301 1.00 53.43 H new ATOM 979 N ASN B 33 62.160 47.005 -1.582 1.00 52.01 N ATOM 980 CA ASN B 33 62.150 48.182 -0.714 1.00 47.87 C ATOM 981 C ASN B 33 63.231 48.030 0.337 1.00 44.18 C ATOM 982 O ASN B 33 63.475 46.937 0.837 1.00 42.96 O ATOM 983 CB ASN B 33 60.791 48.375 -0.021 1.00 52.10 C ATOM 984 CG ASN B 33 60.457 47.259 0.963 1.00 53.97 C ATOM 985 OD1 ASN B 33 60.280 47.485 2.167 1.00 52.95 O ATOM 986 ND2 ASN B 33 60.350 46.050 0.445 1.00 56.78 N ATOM 0 H ASN B 33 62.549 46.325 -1.228 1.00 52.01 H new ATOM 0 HA ASN B 33 62.314 48.963 -1.266 1.00 47.87 H new ATOM 0 HB2 ASN B 33 60.791 49.224 0.449 1.00 52.10 H new ATOM 0 HB3 ASN B 33 60.095 48.424 -0.695 1.00 52.10 H new ATOM 0 HD21 ASN B 33 60.150 45.382 0.949 1.00 56.78 H new ATOM 0 HD22 ASN B 33 60.480 45.930 -0.397 1.00 56.78 H new ATOM 987 N LEU B 34 63.874 49.141 0.661 1.00 43.39 N ATOM 988 CA LEU B 34 64.935 49.163 1.651 1.00 44.13 C ATOM 989 C LEU B 34 64.537 48.376 2.906 1.00 46.57 C ATOM 990 O LEU B 34 65.366 47.739 3.544 1.00 47.27 O ATOM 991 CB LEU B 34 65.272 50.620 2.002 1.00 42.28 C ATOM 992 CG LEU B 34 65.776 51.563 0.894 1.00 38.01 C ATOM 993 CD1 LEU B 34 66.321 52.843 1.508 1.00 34.64 C ATOM 994 CD2 LEU B 34 66.869 50.874 0.078 1.00 38.26 C ATOM 0 H LEU B 34 63.706 49.908 0.310 1.00 43.39 H new ATOM 0 HA LEU B 34 65.722 48.734 1.279 1.00 44.13 H new ATOM 0 HB2 LEU B 34 64.476 51.020 2.385 1.00 42.28 H new ATOM 0 HB3 LEU B 34 65.945 50.604 2.700 1.00 42.28 H new ATOM 0 HG LEU B 34 65.035 51.783 0.309 1.00 38.01 H new ATOM 0 HD11 LEU B 34 66.636 53.431 0.804 1.00 34.64 H new ATOM 0 HD12 LEU B 34 65.619 53.286 2.009 1.00 34.64 H new ATOM 0 HD13 LEU B 34 67.056 52.629 2.103 1.00 34.64 H new ATOM 0 HD21 LEU B 34 67.181 51.474 -0.617 1.00 38.26 H new ATOM 0 HD22 LEU B 34 67.609 50.641 0.660 1.00 38.26 H new ATOM 0 HD23 LEU B 34 66.511 50.069 -0.327 1.00 38.26 H new ATOM 995 N ASP B 35 63.266 48.412 3.263 1.00 50.04 N ATOM 996 CA ASP B 35 62.838 47.666 4.428 1.00 52.76 C ATOM 997 C ASP B 35 62.998 46.185 4.139 1.00 50.82 C ATOM 998 O ASP B 35 63.497 45.434 4.969 1.00 53.01 O ATOM 999 CB ASP B 35 61.379 47.967 4.761 1.00 60.60 C ATOM 1000 CG ASP B 35 61.238 48.837 5.988 1.00 67.79 C ATOM 1001 OD1 ASP B 35 61.235 48.281 7.110 1.00 68.42 O ATOM 1002 OD2 ASP B 35 61.134 50.076 5.823 1.00 72.61 O ATOM 0 H ASP B 35 62.649 48.851 2.856 1.00 50.04 H new ATOM 0 HA ASP B 35 63.381 47.924 5.189 1.00 52.76 H new ATOM 0 HB2 ASP B 35 60.961 48.408 4.005 1.00 60.60 H new ATOM 0 HB3 ASP B 35 60.903 47.134 4.902 1.00 60.60 H new ATOM 1003 N ALA B 36 62.580 45.760 2.955 1.00 46.28 N ATOM 1004 CA ALA B 36 62.687 44.356 2.618 1.00 42.80 C ATOM 1005 C ALA B 36 64.131 43.946 2.390 1.00 42.13 C ATOM 1006 O ALA B 36 64.481 42.779 2.551 1.00 46.16 O ATOM 1007 CB ALA B 36 61.865 44.051 1.404 1.00 44.41 C ATOM 0 H ALA B 36 62.238 46.260 2.345 1.00 46.28 H new ATOM 0 HA ALA B 36 62.348 43.844 3.369 1.00 42.80 H new ATOM 0 HB1 ALA B 36 61.944 43.109 1.188 1.00 44.41 H new ATOM 0 HB2 ALA B 36 60.935 44.265 1.580 1.00 44.41 H new ATOM 0 HB3 ALA B 36 62.182 44.582 0.657 1.00 44.41 H new ATOM 1008 N LEU B 37 64.983 44.888 2.013 1.00 37.60 N ATOM 1009 CA LEU B 37 66.375 44.534 1.803 1.00 33.51 C ATOM 1010 C LEU B 37 67.034 44.339 3.169 1.00 35.70 C ATOM 1011 O LEU B 37 67.770 43.373 3.371 1.00 38.39 O ATOM 1012 CB LEU B 37 67.088 45.617 0.999 1.00 26.85 C ATOM 1013 CG LEU B 37 68.597 45.486 0.802 1.00 26.40 C ATOM 1014 CD1 LEU B 37 68.905 44.395 -0.174 1.00 27.20 C ATOM 1015 CD2 LEU B 37 69.148 46.790 0.278 1.00 28.39 C ATOM 0 H LEU B 37 64.784 45.713 1.877 1.00 37.60 H new ATOM 0 HA LEU B 37 66.435 43.711 1.294 1.00 33.51 H new ATOM 0 HB2 LEU B 37 66.676 45.656 0.122 1.00 26.85 H new ATOM 0 HB3 LEU B 37 66.917 46.469 1.431 1.00 26.85 H new ATOM 0 HG LEU B 37 69.006 45.270 1.655 1.00 26.40 H new ATOM 0 HD11 LEU B 37 69.866 44.324 -0.288 1.00 27.20 H new ATOM 0 HD12 LEU B 37 68.557 43.554 0.160 1.00 27.20 H new ATOM 0 HD13 LEU B 37 68.492 44.599 -1.028 1.00 27.20 H new ATOM 0 HD21 LEU B 37 70.106 46.709 0.152 1.00 28.39 H new ATOM 0 HD22 LEU B 37 68.728 47.002 -0.570 1.00 28.39 H new ATOM 0 HD23 LEU B 37 68.965 47.498 0.915 1.00 28.39 H new ATOM 1016 N TRP B 38 66.748 45.234 4.113 1.00 35.53 N ATOM 1017 CA TRP B 38 67.318 45.136 5.456 1.00 35.12 C ATOM 1018 C TRP B 38 67.027 43.795 6.069 1.00 35.24 C ATOM 1019 O TRP B 38 67.921 43.089 6.492 1.00 36.24 O ATOM 1020 CB TRP B 38 66.734 46.185 6.390 1.00 37.36 C ATOM 1021 CG TRP B 38 67.306 46.086 7.776 1.00 38.35 C ATOM 1022 CD1 TRP B 38 66.706 45.561 8.882 1.00 35.99 C ATOM 1023 CD2 TRP B 38 68.612 46.504 8.188 1.00 38.39 C ATOM 1024 NE1 TRP B 38 67.557 45.627 9.958 1.00 33.74 N ATOM 1025 CE2 TRP B 38 68.735 46.200 9.557 1.00 36.00 C ATOM 1026 CE3 TRP B 38 69.691 47.105 7.524 1.00 37.82 C ATOM 1027 CZ2 TRP B 38 69.890 46.479 10.281 1.00 36.03 C ATOM 1028 CZ3 TRP B 38 70.841 47.380 8.244 1.00 39.97 C ATOM 1029 CH2 TRP B 38 70.930 47.069 9.610 1.00 38.95 C ATOM 0 H TRP B 38 66.225 45.907 3.996 1.00 35.53 H new ATOM 0 HA TRP B 38 68.273 45.270 5.354 1.00 35.12 H new ATOM 0 HB2 TRP B 38 66.909 47.069 6.031 1.00 37.36 H new ATOM 0 HB3 TRP B 38 65.771 46.080 6.430 1.00 37.36 H new ATOM 0 HD1 TRP B 38 65.845 45.209 8.905 1.00 35.99 H new ATOM 0 HE1 TRP B 38 67.379 45.353 10.754 1.00 33.74 H new ATOM 0 HE3 TRP B 38 69.635 47.314 6.620 1.00 37.82 H new ATOM 0 HZ2 TRP B 38 69.954 46.273 11.186 1.00 36.03 H new ATOM 0 HZ3 TRP B 38 71.565 47.777 7.816 1.00 39.97 H new ATOM 0 HH2 TRP B 38 71.713 47.268 10.071 1.00 38.95 H new ATOM 1030 N ASP B 39 65.749 43.467 6.128 1.00 38.42 N ATOM 1031 CA ASP B 39 65.309 42.219 6.703 1.00 41.06 C ATOM 1032 C ASP B 39 66.040 41.078 6.040 1.00 39.52 C ATOM 1033 O ASP B 39 66.540 40.193 6.721 1.00 41.27 O ATOM 1034 CB ASP B 39 63.795 42.063 6.517 1.00 51.47 C ATOM 1035 CG ASP B 39 62.975 42.720 7.651 1.00 60.57 C ATOM 1036 OD1 ASP B 39 63.548 43.468 8.480 1.00 64.47 O ATOM 1037 OD2 ASP B 39 61.743 42.484 7.709 1.00 64.87 O ATOM 0 H ASP B 39 65.113 43.965 5.834 1.00 38.42 H new ATOM 0 HA ASP B 39 65.505 42.212 7.653 1.00 41.06 H new ATOM 0 HB2 ASP B 39 63.536 42.456 5.669 1.00 51.47 H new ATOM 0 HB3 ASP B 39 63.576 41.119 6.471 1.00 51.47 H new ATOM 1038 N CYS B 40 66.110 41.106 4.711 1.00 39.47 N ATOM 1039 CA CYS B 40 66.790 40.059 3.944 1.00 39.08 C ATOM 1040 C CYS B 40 68.254 39.983 4.320 1.00 37.78 C ATOM 1041 O CYS B 40 68.839 38.915 4.356 1.00 38.69 O ATOM 1042 CB CYS B 40 66.686 40.333 2.448 1.00 39.10 C ATOM 1043 SG CYS B 40 65.257 39.554 1.700 1.00 48.60 S ATOM 0 H CYS B 40 65.767 41.729 4.228 1.00 39.47 H new ATOM 0 HA CYS B 40 66.356 39.217 4.153 1.00 39.08 H new ATOM 0 HB2 CYS B 40 66.642 41.291 2.301 1.00 39.10 H new ATOM 0 HB3 CYS B 40 67.490 40.015 2.008 1.00 39.10 H new ATOM 0 HG CYS B 40 64.883 40.213 0.769 1.00 48.60 H new ATOM 1044 N LEU B 41 68.846 41.137 4.586 1.00 37.80 N ATOM 1045 CA LEU B 41 70.245 41.207 4.958 1.00 35.85 C ATOM 1046 C LEU B 41 70.405 40.634 6.362 1.00 39.01 C ATOM 1047 O LEU B 41 71.414 40.005 6.682 1.00 39.49 O ATOM 1048 CB LEU B 41 70.710 42.667 4.926 1.00 29.41 C ATOM 1049 CG LEU B 41 71.817 43.084 3.950 1.00 25.06 C ATOM 1050 CD1 LEU B 41 71.961 42.092 2.824 1.00 24.61 C ATOM 1051 CD2 LEU B 41 71.490 44.439 3.398 1.00 20.71 C ATOM 0 H LEU B 41 68.448 41.899 4.556 1.00 37.80 H new ATOM 0 HA LEU B 41 70.784 40.695 4.335 1.00 35.85 H new ATOM 0 HB2 LEU B 41 69.933 43.216 4.736 1.00 29.41 H new ATOM 0 HB3 LEU B 41 71.008 42.897 5.820 1.00 29.41 H new ATOM 0 HG LEU B 41 72.661 43.110 4.428 1.00 25.06 H new ATOM 0 HD11 LEU B 41 72.667 42.382 2.225 1.00 24.61 H new ATOM 0 HD12 LEU B 41 72.184 41.220 3.187 1.00 24.61 H new ATOM 0 HD13 LEU B 41 71.126 42.034 2.335 1.00 24.61 H new ATOM 0 HD21 LEU B 41 72.185 44.713 2.779 1.00 20.71 H new ATOM 0 HD22 LEU B 41 70.639 44.403 2.933 1.00 20.71 H new ATOM 0 HD23 LEU B 41 71.434 45.080 4.124 1.00 20.71 H new ATOM 1052 N THR B 42 69.385 40.836 7.190 1.00 42.83 N ATOM 1053 CA THR B 42 69.408 40.377 8.572 1.00 44.50 C ATOM 1054 C THR B 42 68.787 39.008 8.839 1.00 45.83 C ATOM 1055 O THR B 42 68.419 38.731 9.969 1.00 49.74 O ATOM 1056 CB THR B 42 68.705 41.390 9.496 1.00 43.38 C ATOM 1057 OG1 THR B 42 67.294 41.377 9.233 1.00 44.74 O ATOM 1058 CG2 THR B 42 69.255 42.791 9.264 1.00 43.01 C ATOM 0 H THR B 42 68.661 41.243 6.966 1.00 42.83 H new ATOM 0 HA THR B 42 70.356 40.295 8.760 1.00 44.50 H new ATOM 0 HB THR B 42 68.868 41.140 10.419 1.00 43.38 H new ATOM 0 HG1 THR B 42 67.156 41.083 8.459 1.00 44.74 H new ATOM 0 HG21 THR B 42 68.804 43.417 9.852 1.00 43.01 H new ATOM 0 HG22 THR B 42 70.207 42.800 9.451 1.00 43.01 H new ATOM 0 HG23 THR B 42 69.105 43.049 8.341 1.00 43.01 H new ATOM 1059 N GLY B 43 68.674 38.145 7.835 1.00 45.93 N ATOM 1060 CA GLY B 43 68.079 36.845 8.099 1.00 47.12 C ATOM 1061 C GLY B 43 68.056 35.818 6.979 1.00 48.73 C ATOM 1062 O GLY B 43 68.188 34.624 7.225 1.00 52.31 O ATOM 0 H GLY B 43 68.925 38.285 7.025 1.00 45.93 H new ATOM 0 HA2 GLY B 43 68.550 36.452 8.850 1.00 47.12 H new ATOM 0 HA3 GLY B 43 67.163 36.992 8.384 1.00 47.12 H new ATOM 1063 N TRP B 44 67.887 36.264 5.746 1.00 48.23 N ATOM 1064 CA TRP B 44 67.838 35.346 4.624 1.00 48.00 C ATOM 1065 C TRP B 44 69.204 35.123 3.993 1.00 51.07 C ATOM 1066 O TRP B 44 69.634 33.983 3.828 1.00 53.97 O ATOM 1067 CB TRP B 44 66.882 35.877 3.572 1.00 47.82 C ATOM 1068 CG TRP B 44 66.752 35.002 2.376 1.00 47.54 C ATOM 1069 CD1 TRP B 44 67.511 35.035 1.243 1.00 45.97 C ATOM 1070 CD2 TRP B 44 65.746 34.017 2.156 1.00 49.28 C ATOM 1071 NE1 TRP B 44 67.035 34.135 0.327 1.00 47.24 N ATOM 1072 CE2 TRP B 44 65.948 33.496 0.863 1.00 49.14 C ATOM 1073 CE3 TRP B 44 64.688 33.529 2.926 1.00 50.81 C ATOM 1074 CZ2 TRP B 44 65.130 32.502 0.319 1.00 50.21 C ATOM 1075 CZ3 TRP B 44 63.871 32.542 2.387 1.00 52.60 C ATOM 1076 CH2 TRP B 44 64.098 32.040 1.094 1.00 51.17 C ATOM 0 H TRP B 44 67.799 37.094 5.538 1.00 48.23 H new ATOM 0 HA TRP B 44 67.530 34.492 4.966 1.00 48.00 H new ATOM 0 HB2 TRP B 44 66.006 35.993 3.973 1.00 47.82 H new ATOM 0 HB3 TRP B 44 67.183 36.754 3.288 1.00 47.82 H new ATOM 0 HD1 TRP B 44 68.246 35.589 1.111 1.00 45.97 H new ATOM 0 HE1 TRP B 44 67.364 33.994 -0.455 1.00 47.24 H new ATOM 0 HE3 TRP B 44 64.533 33.858 3.782 1.00 50.81 H new ATOM 0 HZ2 TRP B 44 65.280 32.167 -0.536 1.00 50.21 H new ATOM 0 HZ3 TRP B 44 63.163 32.209 2.890 1.00 52.60 H new ATOM 0 HH2 TRP B 44 63.536 31.380 0.757 1.00 51.17 H new ATOM 1077 N VAL B 45 69.879 36.215 3.637 1.00 52.05 N ATOM 1078 CA VAL B 45 71.194 36.154 2.997 1.00 50.94 C ATOM 1079 C VAL B 45 72.234 35.380 3.814 1.00 51.78 C ATOM 1080 O VAL B 45 72.273 35.454 5.047 1.00 51.34 O ATOM 1081 CB VAL B 45 71.742 37.590 2.700 1.00 50.23 C ATOM 1082 CG1 VAL B 45 73.151 37.506 2.117 1.00 52.24 C ATOM 1083 CG2 VAL B 45 70.826 38.317 1.717 1.00 48.32 C ATOM 0 H VAL B 45 69.587 37.014 3.760 1.00 52.05 H new ATOM 0 HA VAL B 45 71.055 35.671 2.167 1.00 50.94 H new ATOM 0 HB VAL B 45 71.769 38.085 3.534 1.00 50.23 H new ATOM 0 HG11 VAL B 45 73.481 38.400 1.937 1.00 52.24 H new ATOM 0 HG12 VAL B 45 73.738 37.067 2.752 1.00 52.24 H new ATOM 0 HG13 VAL B 45 73.130 36.997 1.291 1.00 52.24 H new ATOM 0 HG21 VAL B 45 71.177 39.204 1.542 1.00 48.32 H new ATOM 0 HG22 VAL B 45 70.781 37.818 0.886 1.00 48.32 H new ATOM 0 HG23 VAL B 45 69.937 38.391 2.097 1.00 48.32 H new ATOM 1084 N GLU B 46 73.076 34.635 3.105 1.00 53.63 N ATOM 1085 CA GLU B 46 74.128 33.849 3.725 1.00 55.42 C ATOM 1086 C GLU B 46 75.482 34.527 3.523 1.00 52.81 C ATOM 1087 O GLU B 46 75.864 34.872 2.399 1.00 51.90 O ATOM 1088 CB GLU B 46 74.154 32.440 3.121 1.00 64.93 C ATOM 1089 CG GLU B 46 75.543 31.784 3.053 1.00 76.50 C ATOM 1090 CD GLU B 46 75.985 31.468 1.625 1.00 82.42 C ATOM 1091 OE1 GLU B 46 75.188 30.865 0.865 1.00 85.83 O ATOM 1092 OE2 GLU B 46 77.133 31.823 1.267 1.00 86.18 O ATOM 0 H GLU B 46 73.050 34.573 2.248 1.00 53.63 H new ATOM 0 HA GLU B 46 73.950 33.783 4.676 1.00 55.42 H new ATOM 0 HB2 GLU B 46 73.567 31.869 3.642 1.00 64.93 H new ATOM 0 HB3 GLU B 46 73.787 32.481 2.224 1.00 64.93 H new ATOM 0 HG2 GLU B 46 76.194 32.374 3.465 1.00 76.50 H new ATOM 0 HG3 GLU B 46 75.534 30.965 3.572 1.00 76.50 H new ATOM 1093 N TYR B 47 76.192 34.716 4.628 1.00 49.22 N ATOM 1094 CA TYR B 47 77.507 35.338 4.628 1.00 45.61 C ATOM 1095 C TYR B 47 78.571 34.261 4.785 1.00 45.89 C ATOM 1096 O TYR B 47 78.271 33.144 5.191 1.00 51.60 O ATOM 1097 CB TYR B 47 77.591 36.317 5.787 1.00 42.87 C ATOM 1098 CG TYR B 47 76.511 37.366 5.752 1.00 39.23 C ATOM 1099 CD1 TYR B 47 76.442 38.276 4.707 1.00 39.80 C ATOM 1100 CD2 TYR B 47 75.564 37.447 6.754 1.00 38.90 C ATOM 1101 CE1 TYR B 47 75.459 39.237 4.657 1.00 41.18 C ATOM 1102 CE2 TYR B 47 74.572 38.409 6.715 1.00 42.55 C ATOM 1103 CZ TYR B 47 74.525 39.299 5.664 1.00 42.56 C ATOM 1104 OH TYR B 47 73.538 40.249 5.608 1.00 47.34 O ATOM 0 H TYR B 47 75.919 34.483 5.409 1.00 49.22 H new ATOM 0 HA TYR B 47 77.651 35.811 3.794 1.00 45.61 H new ATOM 0 HB2 TYR B 47 77.532 35.827 6.622 1.00 42.87 H new ATOM 0 HB3 TYR B 47 78.458 36.752 5.774 1.00 42.87 H new ATOM 0 HD1 TYR B 47 77.074 38.235 4.026 1.00 39.80 H new ATOM 0 HD2 TYR B 47 75.594 36.847 7.464 1.00 38.90 H new ATOM 0 HE1 TYR B 47 75.427 39.839 3.949 1.00 41.18 H new ATOM 0 HE2 TYR B 47 73.939 38.455 7.395 1.00 42.55 H new ATOM 0 HH TYR B 47 72.954 40.081 6.187 1.00 47.34 H new ATOM 1105 N PRO B 48 79.830 34.563 4.439 1.00 44.46 N ATOM 1106 CA PRO B 48 80.384 35.812 3.904 1.00 40.41 C ATOM 1107 C PRO B 48 79.779 36.231 2.568 1.00 36.52 C ATOM 1108 O PRO B 48 79.345 35.386 1.778 1.00 36.68 O ATOM 1109 CB PRO B 48 81.881 35.516 3.766 1.00 40.80 C ATOM 1110 CG PRO B 48 82.130 34.353 4.676 1.00 43.07 C ATOM 1111 CD PRO B 48 80.876 33.542 4.624 1.00 44.86 C ATOM 0 HA PRO B 48 80.187 36.560 4.489 1.00 40.41 H new ATOM 0 HB2 PRO B 48 82.114 35.301 2.849 1.00 40.80 H new ATOM 0 HB3 PRO B 48 82.416 36.283 4.022 1.00 40.80 H new ATOM 0 HG2 PRO B 48 82.895 33.835 4.382 1.00 43.07 H new ATOM 0 HG3 PRO B 48 82.319 34.649 5.580 1.00 43.07 H new ATOM 0 HD2 PRO B 48 80.890 32.905 3.892 1.00 44.86 H new ATOM 0 HD3 PRO B 48 80.742 33.034 5.440 1.00 44.86 H new ATOM 1112 N LEU B 49 79.760 37.541 2.330 1.00 31.46 N ATOM 1113 CA LEU B 49 79.245 38.114 1.090 1.00 26.16 C ATOM 1114 C LEU B 49 80.158 39.255 0.629 1.00 27.95 C ATOM 1115 O LEU B 49 80.441 40.179 1.388 1.00 31.92 O ATOM 1116 CB LEU B 49 77.829 38.639 1.290 1.00 19.82 C ATOM 1117 CG LEU B 49 77.304 39.586 0.215 1.00 17.56 C ATOM 1118 CD1 LEU B 49 76.490 38.815 -0.810 1.00 18.90 C ATOM 1119 CD2 LEU B 49 76.448 40.649 0.854 1.00 19.59 C ATOM 0 H LEU B 49 80.049 38.127 2.890 1.00 31.46 H new ATOM 0 HA LEU B 49 79.226 37.420 0.413 1.00 26.16 H new ATOM 0 HB2 LEU B 49 77.228 37.880 1.348 1.00 19.82 H new ATOM 0 HB3 LEU B 49 77.791 39.097 2.144 1.00 19.82 H new ATOM 0 HG LEU B 49 78.055 40.004 -0.234 1.00 17.56 H new ATOM 0 HD11 LEU B 49 76.161 39.426 -1.488 1.00 18.90 H new ATOM 0 HD12 LEU B 49 77.049 38.141 -1.226 1.00 18.90 H new ATOM 0 HD13 LEU B 49 75.739 38.386 -0.371 1.00 18.90 H new ATOM 0 HD21 LEU B 49 76.115 41.251 0.170 1.00 19.59 H new ATOM 0 HD22 LEU B 49 75.700 40.232 1.310 1.00 19.59 H new ATOM 0 HD23 LEU B 49 76.978 41.150 1.494 1.00 19.59 H new ATOM 1120 N VAL B 50 80.634 39.172 -0.611 1.00 25.28 N ATOM 1121 CA VAL B 50 81.497 40.191 -1.181 1.00 22.92 C ATOM 1122 C VAL B 50 80.730 40.748 -2.357 1.00 25.23 C ATOM 1123 O VAL B 50 80.474 40.038 -3.325 1.00 22.22 O ATOM 1124 CB VAL B 50 82.798 39.596 -1.686 1.00 21.00 C ATOM 1125 CG1 VAL B 50 82.541 38.222 -2.163 1.00 24.64 C ATOM 1126 CG2 VAL B 50 83.368 40.429 -2.815 1.00 17.03 C ATOM 0 H VAL B 50 80.462 38.519 -1.144 1.00 25.28 H new ATOM 0 HA VAL B 50 81.723 40.861 -0.517 1.00 22.92 H new ATOM 0 HB VAL B 50 83.443 39.584 -0.962 1.00 21.00 H new ATOM 0 HG11 VAL B 50 83.368 37.832 -2.488 1.00 24.64 H new ATOM 0 HG12 VAL B 50 82.196 37.685 -1.433 1.00 24.64 H new ATOM 0 HG13 VAL B 50 81.890 38.245 -2.882 1.00 24.64 H new ATOM 0 HG21 VAL B 50 84.198 40.032 -3.123 1.00 17.03 H new ATOM 0 HG22 VAL B 50 82.733 40.459 -3.548 1.00 17.03 H new ATOM 0 HG23 VAL B 50 83.539 41.330 -2.498 1.00 17.03 H new ATOM 1127 N LEU B 51 80.373 42.025 -2.258 1.00 29.76 N ATOM 1128 CA LEU B 51 79.592 42.723 -3.285 1.00 31.48 C ATOM 1129 C LEU B 51 80.424 43.682 -4.093 1.00 31.20 C ATOM 1130 O LEU B 51 81.004 44.606 -3.541 1.00 34.24 O ATOM 1131 CB LEU B 51 78.453 43.527 -2.639 1.00 30.88 C ATOM 1132 CG LEU B 51 77.659 44.533 -3.481 1.00 25.59 C ATOM 1133 CD1 LEU B 51 76.341 43.908 -3.929 1.00 19.89 C ATOM 1134 CD2 LEU B 51 77.387 45.782 -2.653 1.00 28.24 C ATOM 0 H LEU B 51 80.579 42.520 -1.585 1.00 29.76 H new ATOM 0 HA LEU B 51 79.246 42.033 -3.873 1.00 31.48 H new ATOM 0 HB2 LEU B 51 77.819 42.890 -2.275 1.00 30.88 H new ATOM 0 HB3 LEU B 51 78.830 44.012 -1.888 1.00 30.88 H new ATOM 0 HG LEU B 51 78.175 44.774 -4.266 1.00 25.59 H new ATOM 0 HD11 LEU B 51 75.843 44.548 -4.461 1.00 19.89 H new ATOM 0 HD12 LEU B 51 76.522 43.118 -4.461 1.00 19.89 H new ATOM 0 HD13 LEU B 51 75.819 43.660 -3.150 1.00 19.89 H new ATOM 0 HD21 LEU B 51 76.885 46.420 -3.184 1.00 28.24 H new ATOM 0 HD22 LEU B 51 76.874 45.543 -1.865 1.00 28.24 H new ATOM 0 HD23 LEU B 51 78.229 46.180 -2.381 1.00 28.24 H new ATOM 1135 N GLU B 52 80.460 43.470 -5.402 1.00 29.81 N ATOM 1136 CA GLU B 52 81.206 44.339 -6.297 1.00 28.71 C ATOM 1137 C GLU B 52 80.269 45.254 -7.094 1.00 29.18 C ATOM 1138 O GLU B 52 79.485 44.794 -7.920 1.00 28.53 O ATOM 1139 CB GLU B 52 82.059 43.519 -7.268 1.00 26.85 C ATOM 1140 CG GLU B 52 82.363 44.283 -8.544 1.00 29.76 C ATOM 1141 CD GLU B 52 83.582 43.789 -9.295 1.00 30.93 C ATOM 1142 OE1 GLU B 52 83.663 42.561 -9.506 1.00 28.17 O ATOM 1143 OE2 GLU B 52 84.444 44.625 -9.687 1.00 28.43 O ATOM 0 H GLU B 52 80.054 42.821 -5.794 1.00 29.81 H new ATOM 0 HA GLU B 52 81.786 44.888 -5.746 1.00 28.71 H new ATOM 0 HB2 GLU B 52 82.891 43.270 -6.835 1.00 26.85 H new ATOM 0 HB3 GLU B 52 81.596 42.696 -7.488 1.00 26.85 H new ATOM 0 HG2 GLU B 52 81.592 44.231 -9.131 1.00 29.76 H new ATOM 0 HG3 GLU B 52 82.489 45.219 -8.325 1.00 29.76 H new ATOM 1144 N TRP B 53 80.364 46.554 -6.852 1.00 30.99 N ATOM 1145 CA TRP B 53 79.531 47.515 -7.546 1.00 33.41 C ATOM 1146 C TRP B 53 80.364 48.228 -8.597 1.00 36.62 C ATOM 1147 O TRP B 53 81.061 49.192 -8.302 1.00 37.07 O ATOM 1148 CB TRP B 53 78.970 48.521 -6.549 1.00 33.65 C ATOM 1149 CG TRP B 53 77.656 49.121 -6.932 1.00 36.84 C ATOM 1150 CD1 TRP B 53 77.297 49.614 -8.158 1.00 36.35 C ATOM 1151 CD2 TRP B 53 76.551 49.371 -6.061 1.00 38.41 C ATOM 1152 NE1 TRP B 53 76.036 50.161 -8.094 1.00 37.89 N ATOM 1153 CE2 TRP B 53 75.559 50.026 -6.818 1.00 39.14 C ATOM 1154 CE3 TRP B 53 76.305 49.105 -4.706 1.00 38.83 C ATOM 1155 CZ2 TRP B 53 74.341 50.421 -6.267 1.00 43.14 C ATOM 1156 CZ3 TRP B 53 75.098 49.497 -4.161 1.00 40.83 C ATOM 1157 CH2 TRP B 53 74.129 50.150 -4.938 1.00 42.83 C ATOM 0 H TRP B 53 80.910 46.899 -6.284 1.00 30.99 H new ATOM 0 HA TRP B 53 78.792 47.059 -7.978 1.00 33.41 H new ATOM 0 HB2 TRP B 53 78.873 48.084 -5.689 1.00 33.65 H new ATOM 0 HB3 TRP B 53 79.615 49.236 -6.433 1.00 33.65 H new ATOM 0 HD1 TRP B 53 77.827 49.584 -8.921 1.00 36.35 H new ATOM 0 HE1 TRP B 53 75.616 50.528 -8.749 1.00 37.89 H new ATOM 0 HE3 TRP B 53 76.942 48.673 -4.185 1.00 38.83 H new ATOM 0 HZ2 TRP B 53 73.696 50.852 -6.780 1.00 43.14 H new ATOM 0 HZ3 TRP B 53 74.924 49.325 -3.264 1.00 40.83 H new ATOM 0 HH2 TRP B 53 73.326 50.405 -4.544 1.00 42.83 H new ATOM 1158 N ARG B 54 80.300 47.733 -9.827 1.00 41.35 N ATOM 1159 CA ARG B 54 81.049 48.318 -10.927 1.00 45.18 C ATOM 1160 C ARG B 54 80.379 49.600 -11.357 1.00 49.02 C ATOM 1161 O ARG B 54 79.164 49.656 -11.469 1.00 52.46 O ATOM 1162 CB ARG B 54 81.084 47.357 -12.112 1.00 46.43 C ATOM 1163 CG ARG B 54 81.423 45.914 -11.762 1.00 50.61 C ATOM 1164 CD ARG B 54 82.614 45.433 -12.584 1.00 54.13 C ATOM 1165 NE ARG B 54 82.943 44.025 -12.365 1.00 56.31 N ATOM 1166 CZ ARG B 54 82.386 43.018 -13.032 1.00 54.67 C ATOM 1167 NH1 ARG B 54 81.470 43.266 -13.957 1.00 50.93 N ATOM 1168 NH2 ARG B 54 82.759 41.767 -12.789 1.00 54.96 N ATOM 0 H ARG B 54 79.823 47.052 -10.045 1.00 41.35 H new ATOM 0 HA ARG B 54 81.956 48.495 -10.632 1.00 45.18 H new ATOM 0 HB2 ARG B 54 80.219 47.374 -12.551 1.00 46.43 H new ATOM 0 HB3 ARG B 54 81.734 47.681 -12.755 1.00 46.43 H new ATOM 0 HG2 ARG B 54 81.626 45.844 -10.816 1.00 50.61 H new ATOM 0 HG3 ARG B 54 80.655 45.345 -11.931 1.00 50.61 H new ATOM 0 HD2 ARG B 54 82.425 45.571 -13.525 1.00 54.13 H new ATOM 0 HD3 ARG B 54 83.388 45.976 -12.367 1.00 54.13 H new ATOM 0 HE ARG B 54 83.533 43.836 -11.768 1.00 56.31 H new ATOM 0 HH11 ARG B 54 81.237 44.077 -14.125 1.00 50.93 H new ATOM 0 HH12 ARG B 54 81.109 42.616 -14.389 1.00 50.93 H new ATOM 0 HH21 ARG B 54 83.363 41.605 -12.198 1.00 54.96 H new ATOM 0 HH22 ARG B 54 82.397 41.118 -13.222 1.00 54.96 H new ATOM 1169 N GLN B 55 81.167 50.633 -11.595 1.00 53.31 N ATOM 1170 CA GLN B 55 80.632 51.913 -12.038 1.00 58.42 C ATOM 1171 C GLN B 55 79.456 52.406 -11.209 1.00 57.46 C ATOM 1172 O GLN B 55 78.369 52.607 -11.736 1.00 56.13 O ATOM 1173 CB GLN B 55 80.212 51.827 -13.509 1.00 64.30 C ATOM 1174 CG GLN B 55 81.253 52.371 -14.493 1.00 73.93 C ATOM 1175 CD GLN B 55 82.462 51.451 -14.650 1.00 80.44 C ATOM 1176 OE1 GLN B 55 83.608 51.874 -14.471 1.00 82.45 O ATOM 1177 NE2 GLN B 55 82.209 50.184 -14.987 1.00 85.02 N ATOM 0 H GLN B 55 82.022 50.616 -11.506 1.00 53.31 H new ATOM 0 HA GLN B 55 81.348 52.557 -11.921 1.00 58.42 H new ATOM 0 HB2 GLN B 55 80.028 50.900 -13.728 1.00 64.30 H new ATOM 0 HB3 GLN B 55 79.383 52.317 -13.627 1.00 64.30 H new ATOM 0 HG2 GLN B 55 80.836 52.500 -15.359 1.00 73.93 H new ATOM 0 HG3 GLN B 55 81.553 53.242 -14.190 1.00 73.93 H new ATOM 0 HE21 GLN B 55 81.398 49.924 -15.104 1.00 85.02 H new ATOM 0 HE22 GLN B 55 82.857 49.628 -15.087 1.00 85.02 H new ATOM 1178 N PHE B 56 79.684 52.609 -9.917 1.00 59.87 N ATOM 1179 CA PHE B 56 78.645 53.103 -9.013 1.00 63.31 C ATOM 1180 C PHE B 56 78.131 54.468 -9.477 1.00 66.00 C ATOM 1181 O PHE B 56 77.022 54.877 -9.134 1.00 67.33 O ATOM 1182 CB PHE B 56 79.209 53.227 -7.587 1.00 62.09 C ATOM 1183 CG PHE B 56 78.170 53.558 -6.533 1.00 61.24 C ATOM 1184 CD1 PHE B 56 77.256 52.599 -6.107 1.00 62.41 C ATOM 1185 CD2 PHE B 56 78.128 54.820 -5.944 1.00 58.91 C ATOM 1186 CE1 PHE B 56 76.317 52.893 -5.110 1.00 61.04 C ATOM 1187 CE2 PHE B 56 77.193 55.121 -4.948 1.00 56.06 C ATOM 1188 CZ PHE B 56 76.291 54.159 -4.533 1.00 57.74 C ATOM 0 H PHE B 56 80.442 52.466 -9.538 1.00 59.87 H new ATOM 0 HA PHE B 56 77.908 52.472 -9.019 1.00 63.31 H new ATOM 0 HB2 PHE B 56 79.643 52.393 -7.348 1.00 62.09 H new ATOM 0 HB3 PHE B 56 79.893 53.915 -7.579 1.00 62.09 H new ATOM 0 HD1 PHE B 56 77.269 51.751 -6.489 1.00 62.41 H new ATOM 0 HD2 PHE B 56 78.731 55.473 -6.217 1.00 58.91 H new ATOM 0 HE1 PHE B 56 75.712 52.243 -4.834 1.00 61.04 H new ATOM 0 HE2 PHE B 56 77.178 55.968 -4.565 1.00 56.06 H new ATOM 0 HZ PHE B 56 75.669 54.357 -3.871 1.00 57.74 H new ATOM 1189 N GLU B 57 78.942 55.168 -10.264 1.00 69.47 N ATOM 1190 CA GLU B 57 78.576 56.488 -10.754 1.00 71.28 C ATOM 1191 C GLU B 57 77.268 56.503 -11.511 1.00 69.88 C ATOM 1192 O GLU B 57 76.317 57.153 -11.093 1.00 69.50 O ATOM 1193 CB GLU B 57 79.684 57.053 -11.639 1.00 76.43 C ATOM 1194 CG GLU B 57 80.007 58.516 -11.339 1.00 86.23 C ATOM 1195 CD GLU B 57 79.500 58.965 -9.967 1.00 91.36 C ATOM 1196 OE1 GLU B 57 79.942 58.388 -8.945 1.00 93.10 O ATOM 1197 OE2 GLU B 57 78.662 59.896 -9.911 1.00 94.80 O ATOM 0 H GLU B 57 79.713 54.892 -10.526 1.00 69.47 H new ATOM 0 HA GLU B 57 78.458 57.045 -9.969 1.00 71.28 H new ATOM 0 HB2 GLU B 57 80.486 56.520 -11.522 1.00 76.43 H new ATOM 0 HB3 GLU B 57 79.421 56.970 -12.569 1.00 76.43 H new ATOM 0 HG2 GLU B 57 80.967 58.647 -11.383 1.00 86.23 H new ATOM 0 HG3 GLU B 57 79.612 59.077 -12.025 1.00 86.23 H new ATOM 1198 N GLN B 58 77.219 55.795 -12.631 1.00 70.32 N ATOM 1199 CA GLN B 58 76.002 55.745 -13.425 1.00 72.34 C ATOM 1200 C GLN B 58 74.836 55.388 -12.524 1.00 71.52 C ATOM 1201 O GLN B 58 73.926 56.192 -12.309 1.00 69.83 O ATOM 1202 CB GLN B 58 76.123 54.688 -14.525 1.00 75.29 C ATOM 1203 CG GLN B 58 76.616 55.215 -15.855 1.00 80.61 C ATOM 1204 CD GLN B 58 77.791 56.161 -15.705 1.00 83.72 C ATOM 1205 OE1 GLN B 58 77.761 57.281 -16.211 1.00 86.67 O ATOM 1206 NE2 GLN B 58 78.833 55.716 -15.005 1.00 84.39 N ATOM 0 H GLN B 58 77.876 55.339 -12.947 1.00 70.32 H new ATOM 0 HA GLN B 58 75.859 56.612 -13.835 1.00 72.34 H new ATOM 0 HB2 GLN B 58 76.727 53.992 -14.223 1.00 75.29 H new ATOM 0 HB3 GLN B 58 75.256 54.274 -14.656 1.00 75.29 H new ATOM 0 HG2 GLN B 58 76.875 54.470 -16.419 1.00 80.61 H new ATOM 0 HG3 GLN B 58 75.891 55.674 -16.307 1.00 80.61 H new ATOM 0 HE21 GLN B 58 78.817 54.926 -14.666 1.00 84.39 H new ATOM 0 HE22 GLN B 58 79.522 56.219 -14.892 1.00 84.39 H new ATOM 1207 N SER B 59 74.887 54.172 -11.987 1.00 72.10 N ATOM 1208 CA SER B 59 73.836 53.656 -11.123 1.00 72.28 C ATOM 1209 C SER B 59 73.390 54.664 -10.069 1.00 74.08 C ATOM 1210 O SER B 59 72.296 54.556 -9.523 1.00 74.84 O ATOM 1211 CB SER B 59 74.289 52.338 -10.465 1.00 68.85 C ATOM 1212 OG SER B 59 75.112 52.551 -9.334 1.00 63.86 O ATOM 0 H SER B 59 75.536 53.623 -12.116 1.00 72.10 H new ATOM 0 HA SER B 59 73.063 53.485 -11.683 1.00 72.28 H new ATOM 0 HB2 SER B 59 73.508 51.827 -10.201 1.00 68.85 H new ATOM 0 HB3 SER B 59 74.771 51.804 -11.116 1.00 68.85 H new ATOM 0 HG SER B 59 75.606 53.217 -9.468 1.00 63.86 H new ATOM 1213 N LYS B 60 74.226 55.653 -9.791 1.00 75.32 N ATOM 1214 CA LYS B 60 73.877 56.654 -8.803 1.00 76.68 C ATOM 1215 C LYS B 60 73.048 57.754 -9.448 1.00 79.56 C ATOM 1216 O LYS B 60 71.948 58.067 -8.985 1.00 78.33 O ATOM 1217 CB LYS B 60 75.147 57.245 -8.192 1.00 76.08 C ATOM 1218 CG LYS B 60 74.898 58.393 -7.237 1.00 76.84 C ATOM 1219 CD LYS B 60 73.849 58.030 -6.199 1.00 77.88 C ATOM 1220 CE LYS B 60 74.474 57.321 -5.015 1.00 78.40 C ATOM 1221 NZ LYS B 60 75.599 58.110 -4.444 1.00 78.01 N ATOM 0 H LYS B 60 74.995 55.761 -10.161 1.00 75.32 H new ATOM 0 HA LYS B 60 73.353 56.237 -8.101 1.00 76.68 H new ATOM 0 HB2 LYS B 60 75.625 56.544 -7.722 1.00 76.08 H new ATOM 0 HB3 LYS B 60 75.726 57.552 -8.907 1.00 76.08 H new ATOM 0 HG2 LYS B 60 75.726 58.632 -6.793 1.00 76.84 H new ATOM 0 HG3 LYS B 60 74.607 59.173 -7.735 1.00 76.84 H new ATOM 0 HD2 LYS B 60 73.397 58.834 -5.897 1.00 77.88 H new ATOM 0 HD3 LYS B 60 73.175 57.460 -6.602 1.00 77.88 H new ATOM 0 HE2 LYS B 60 73.801 57.173 -4.332 1.00 78.40 H new ATOM 0 HE3 LYS B 60 74.796 56.448 -5.291 1.00 78.40 H new ATOM 0 HZ1 LYS B 60 75.748 57.852 -3.605 1.00 78.01 H new ATOM 0 HZ2 LYS B 60 76.333 57.976 -4.930 1.00 78.01 H new ATOM 0 HZ3 LYS B 60 75.391 58.975 -4.455 1.00 78.01 H new ATOM 1222 N GLN B 61 73.582 58.321 -10.529 1.00 83.44 N ATOM 1223 CA GLN B 61 72.939 59.409 -11.261 1.00 85.77 C ATOM 1224 C GLN B 61 71.679 59.012 -12.008 1.00 85.87 C ATOM 1225 O GLN B 61 70.694 59.736 -11.988 1.00 86.64 O ATOM 1226 CB GLN B 61 73.927 60.035 -12.248 1.00 88.99 C ATOM 1227 CG GLN B 61 74.597 59.038 -13.189 1.00 94.57 C ATOM 1228 CD GLN B 61 75.675 59.677 -14.065 1.00 97.51 C ATOM 1229 OE1 GLN B 61 76.543 60.403 -13.574 1.00 99.97 O ATOM 1230 NE2 GLN B 61 75.621 59.405 -15.368 1.00 96.80 N ATOM 0 H GLN B 61 74.338 58.081 -10.861 1.00 83.44 H new ATOM 0 HA GLN B 61 72.666 60.046 -10.583 1.00 85.77 H new ATOM 0 HB2 GLN B 61 73.460 60.700 -12.778 1.00 88.99 H new ATOM 0 HB3 GLN B 61 74.614 60.503 -11.748 1.00 88.99 H new ATOM 0 HG2 GLN B 61 74.993 58.323 -12.666 1.00 94.57 H new ATOM 0 HG3 GLN B 61 73.923 58.634 -13.757 1.00 94.57 H new ATOM 0 HE21 GLN B 61 75.001 58.894 -15.675 1.00 96.80 H new ATOM 0 HE22 GLN B 61 76.206 59.740 -15.902 1.00 96.80 H new ATOM 1231 N LEU B 62 71.712 57.869 -12.676 1.00 87.56 N ATOM 1232 CA LEU B 62 70.552 57.408 -13.428 1.00 90.49 C ATOM 1233 C LEU B 62 69.495 56.774 -12.526 1.00 91.76 C ATOM 1234 O LEU B 62 68.764 55.882 -12.956 1.00 92.10 O ATOM 1235 CB LEU B 62 70.987 56.393 -14.490 1.00 93.36 C ATOM 1236 CG LEU B 62 71.077 56.859 -15.947 1.00 95.19 C ATOM 1237 CD1 LEU B 62 69.713 57.359 -16.404 1.00 95.00 C ATOM 1238 CD2 LEU B 62 72.145 57.947 -16.083 1.00 96.59 C ATOM 0 H LEU B 62 72.393 57.345 -12.708 1.00 87.56 H new ATOM 0 HA LEU B 62 70.156 58.186 -13.851 1.00 90.49 H new ATOM 0 HB2 LEU B 62 71.858 56.052 -14.234 1.00 93.36 H new ATOM 0 HB3 LEU B 62 70.369 55.646 -14.456 1.00 93.36 H new ATOM 0 HG LEU B 62 71.336 56.116 -16.515 1.00 95.19 H new ATOM 0 HD11 LEU B 62 69.769 57.654 -17.326 1.00 95.00 H new ATOM 0 HD12 LEU B 62 69.065 56.641 -16.333 1.00 95.00 H new ATOM 0 HD13 LEU B 62 69.436 58.101 -15.844 1.00 95.00 H new ATOM 0 HD21 LEU B 62 72.196 58.237 -17.007 1.00 96.59 H new ATOM 0 HD22 LEU B 62 71.912 58.702 -15.520 1.00 96.59 H new ATOM 0 HD23 LEU B 62 73.005 57.593 -15.808 1.00 96.59 H new ATOM 1239 N THR B 63 69.411 57.236 -11.281 1.00 93.16 N ATOM 1240 CA THR B 63 68.443 56.694 -10.327 1.00 94.04 C ATOM 1241 C THR B 63 68.024 57.715 -9.270 1.00 95.39 C ATOM 1242 O THR B 63 67.575 57.343 -8.180 1.00 95.32 O ATOM 1243 CB THR B 63 69.017 55.483 -9.582 1.00 94.64 C ATOM 1244 OG1 THR B 63 70.376 55.761 -9.217 1.00 94.78 O ATOM 1245 CG2 THR B 63 68.955 54.236 -10.451 1.00 95.22 C ATOM 0 H THR B 63 69.907 57.865 -10.967 1.00 93.16 H new ATOM 0 HA THR B 63 67.672 56.442 -10.859 1.00 94.04 H new ATOM 0 HB THR B 63 68.488 55.320 -8.785 1.00 94.64 H new ATOM 0 HG1 THR B 63 70.868 55.126 -9.462 1.00 94.78 H new ATOM 0 HG21 THR B 63 69.322 53.483 -9.963 1.00 95.22 H new ATOM 0 HG22 THR B 63 68.032 54.050 -10.685 1.00 95.22 H new ATOM 0 HG23 THR B 63 69.471 54.379 -11.260 1.00 95.22 H new ATOM 1246 N GLU B 64 68.169 58.997 -9.594 1.00 96.30 N ATOM 1247 CA GLU B 64 67.806 60.078 -8.677 1.00 94.67 C ATOM 1248 C GLU B 64 68.601 59.980 -7.379 1.00 91.80 C ATOM 1249 O GLU B 64 68.156 60.458 -6.334 1.00 91.43 O ATOM 1250 CB GLU B 64 66.302 60.035 -8.360 1.00 97.02 C ATOM 1251 CG GLU B 64 65.403 59.765 -9.562 1.00 99.85 C ATOM 1252 CD GLU B 64 64.234 58.839 -9.231 1.00100.00 C ATOM 1253 OE1 GLU B 64 63.325 59.272 -8.484 1.00 99.99 O ATOM 1254 OE2 GLU B 64 64.224 57.683 -9.718 1.00100.00 O ATOM 0 H GLU B 64 68.480 59.266 -10.350 1.00 96.30 H new ATOM 0 HA GLU B 64 68.017 60.919 -9.112 1.00 94.67 H new ATOM 0 HB2 GLU B 64 66.144 59.348 -7.693 1.00 97.02 H new ATOM 0 HB3 GLU B 64 66.044 60.881 -7.962 1.00 97.02 H new ATOM 0 HG2 GLU B 64 65.058 60.607 -9.898 1.00 99.85 H new ATOM 0 HG3 GLU B 64 65.931 59.371 -10.274 1.00 99.85 H new ATOM 1255 N ASN B 65 69.772 59.349 -7.447 1.00 87.79 N ATOM 1256 CA ASN B 65 70.623 59.197 -6.275 1.00 83.51 C ATOM 1257 C ASN B 65 70.059 58.165 -5.305 1.00 78.75 C ATOM 1258 O ASN B 65 70.421 58.147 -4.131 1.00 78.98 O ATOM 1259 CB ASN B 65 70.757 60.543 -5.558 1.00 87.22 C ATOM 1260 CG ASN B 65 72.176 60.838 -5.127 1.00 91.33 C ATOM 1261 OD1 ASN B 65 72.772 60.087 -4.353 1.00 93.72 O ATOM 1262 ND2 ASN B 65 72.729 61.941 -5.626 1.00 94.53 N ATOM 0 H ASN B 65 70.090 59.001 -8.166 1.00 87.79 H new ATOM 0 HA ASN B 65 71.492 58.889 -6.576 1.00 83.51 H new ATOM 0 HB2 ASN B 65 70.448 61.250 -6.146 1.00 87.22 H new ATOM 0 HB3 ASN B 65 70.179 60.549 -4.779 1.00 87.22 H new ATOM 0 HD21 ASN B 65 73.534 62.154 -5.411 1.00 94.53 H new ATOM 0 HD22 ASN B 65 72.281 62.441 -6.164 1.00 94.53 H new ATOM 1263 N GLY B 66 69.173 57.306 -5.795 1.00 72.88 N ATOM 1264 CA GLY B 66 68.570 56.296 -4.941 1.00 65.66 C ATOM 1265 C GLY B 66 69.424 55.061 -4.706 1.00 61.33 C ATOM 1266 O GLY B 66 69.003 54.119 -4.040 1.00 61.46 O ATOM 0 H GLY B 66 68.910 57.292 -6.614 1.00 72.88 H new ATOM 0 HA2 GLY B 66 68.364 56.698 -4.083 1.00 65.66 H new ATOM 0 HA3 GLY B 66 67.727 56.020 -5.334 1.00 65.66 H new ATOM 1267 N ALA B 67 70.629 55.053 -5.256 1.00 55.84 N ATOM 1268 CA ALA B 67 71.512 53.925 -5.078 1.00 48.09 C ATOM 1269 C ALA B 67 72.281 54.109 -3.792 1.00 45.58 C ATOM 1270 O ALA B 67 72.726 53.144 -3.194 1.00 48.57 O ATOM 1271 CB ALA B 67 72.469 53.830 -6.235 1.00 49.44 C ATOM 0 H ALA B 67 70.950 55.692 -5.734 1.00 55.84 H new ATOM 0 HA ALA B 67 70.992 53.107 -5.039 1.00 48.09 H new ATOM 0 HB1 ALA B 67 73.058 53.070 -6.107 1.00 49.44 H new ATOM 0 HB2 ALA B 67 71.970 53.717 -7.059 1.00 49.44 H new ATOM 0 HB3 ALA B 67 72.997 54.642 -6.286 1.00 49.44 H new ATOM 1272 N GLU B 68 72.444 55.351 -3.361 1.00 40.44 N ATOM 1273 CA GLU B 68 73.184 55.613 -2.146 1.00 37.18 C ATOM 1274 C GLU B 68 72.495 55.113 -0.881 1.00 37.95 C ATOM 1275 O GLU B 68 73.154 54.846 0.111 1.00 38.63 O ATOM 1276 CB GLU B 68 73.452 57.097 -2.012 1.00 37.31 C ATOM 1277 CG GLU B 68 74.367 57.426 -0.867 1.00 41.51 C ATOM 1278 CD GLU B 68 75.798 57.087 -1.172 1.00 45.48 C ATOM 1279 OE1 GLU B 68 76.146 57.018 -2.371 1.00 47.25 O ATOM 1280 OE2 GLU B 68 76.575 56.888 -0.214 1.00 48.61 O ATOM 0 H GLU B 68 72.135 56.050 -3.756 1.00 40.44 H new ATOM 0 HA GLU B 68 74.013 55.116 -2.228 1.00 37.18 H new ATOM 0 HB2 GLU B 68 73.843 57.426 -2.837 1.00 37.31 H new ATOM 0 HB3 GLU B 68 72.610 57.563 -1.891 1.00 37.31 H new ATOM 0 HG2 GLU B 68 74.297 58.371 -0.660 1.00 41.51 H new ATOM 0 HG3 GLU B 68 74.082 56.940 -0.077 1.00 41.51 H new ATOM 1281 N SER B 69 71.174 55.000 -0.897 1.00 39.41 N ATOM 1282 CA SER B 69 70.460 54.523 0.282 1.00 40.98 C ATOM 1283 C SER B 69 70.625 53.025 0.352 1.00 40.12 C ATOM 1284 O SER B 69 70.857 52.470 1.418 1.00 42.57 O ATOM 1285 CB SER B 69 68.971 54.865 0.212 1.00 44.41 C ATOM 1286 OG SER B 69 68.656 55.562 -0.976 1.00 48.15 O ATOM 0 H SER B 69 70.676 55.191 -1.571 1.00 39.41 H new ATOM 0 HA SER B 69 70.826 54.955 1.070 1.00 40.98 H new ATOM 0 HB2 SER B 69 68.448 54.050 0.259 1.00 44.41 H new ATOM 0 HB3 SER B 69 68.725 55.404 0.980 1.00 44.41 H new ATOM 0 HG SER B 69 67.834 55.736 -0.990 1.00 48.15 H new ATOM 1287 N VAL B 70 70.482 52.362 -0.789 1.00 38.70 N ATOM 1288 CA VAL B 70 70.668 50.920 -0.834 1.00 36.67 C ATOM 1289 C VAL B 70 72.079 50.614 -0.269 1.00 36.79 C ATOM 1290 O VAL B 70 72.216 49.813 0.650 1.00 39.15 O ATOM 1291 CB VAL B 70 70.547 50.384 -2.290 1.00 35.05 C ATOM 1292 CG1 VAL B 70 71.347 49.101 -2.448 1.00 33.77 C ATOM 1293 CG2 VAL B 70 69.082 50.145 -2.646 1.00 29.89 C ATOM 0 H VAL B 70 70.279 52.725 -1.542 1.00 38.70 H new ATOM 0 HA VAL B 70 69.981 50.482 -0.307 1.00 36.67 H new ATOM 0 HB VAL B 70 70.908 51.049 -2.897 1.00 35.05 H new ATOM 0 HG11 VAL B 70 71.264 48.777 -3.359 1.00 33.77 H new ATOM 0 HG12 VAL B 70 72.281 49.275 -2.252 1.00 33.77 H new ATOM 0 HG13 VAL B 70 71.008 48.430 -1.835 1.00 33.77 H new ATOM 0 HG21 VAL B 70 69.020 49.811 -3.555 1.00 29.89 H new ATOM 0 HG22 VAL B 70 68.703 49.493 -2.036 1.00 29.89 H new ATOM 0 HG23 VAL B 70 68.591 50.978 -2.574 1.00 29.89 H new ATOM 1294 N LEU B 71 73.116 51.269 -0.799 1.00 34.49 N ATOM 1295 CA LEU B 71 74.495 51.059 -0.330 1.00 31.69 C ATOM 1296 C LEU B 71 74.657 51.281 1.166 1.00 31.11 C ATOM 1297 O LEU B 71 75.453 50.610 1.817 1.00 34.06 O ATOM 1298 CB LEU B 71 75.479 51.980 -1.069 1.00 27.76 C ATOM 1299 CG LEU B 71 76.913 52.048 -0.522 1.00 24.54 C ATOM 1300 CD1 LEU B 71 77.497 50.643 -0.449 1.00 28.15 C ATOM 1301 CD2 LEU B 71 77.777 52.896 -1.404 1.00 17.74 C ATOM 0 H LEU B 71 73.043 51.843 -1.435 1.00 34.49 H new ATOM 0 HA LEU B 71 74.694 50.129 -0.523 1.00 31.69 H new ATOM 0 HB2 LEU B 71 75.522 51.694 -1.995 1.00 27.76 H new ATOM 0 HB3 LEU B 71 75.112 52.878 -1.066 1.00 27.76 H new ATOM 0 HG LEU B 71 76.887 52.443 0.363 1.00 24.54 H new ATOM 0 HD11 LEU B 71 78.402 50.686 -0.104 1.00 28.15 H new ATOM 0 HD12 LEU B 71 76.953 50.096 0.139 1.00 28.15 H new ATOM 0 HD13 LEU B 71 77.508 50.251 -1.336 1.00 28.15 H new ATOM 0 HD21 LEU B 71 78.677 52.927 -1.043 1.00 17.74 H new ATOM 0 HD22 LEU B 71 77.800 52.516 -2.296 1.00 17.74 H new ATOM 0 HD23 LEU B 71 77.415 53.795 -1.445 1.00 17.74 H new ATOM 1302 N GLN B 72 73.907 52.226 1.711 1.00 31.69 N ATOM 1303 CA GLN B 72 73.976 52.522 3.138 1.00 33.45 C ATOM 1304 C GLN B 72 73.351 51.409 3.970 1.00 32.69 C ATOM 1305 O GLN B 72 73.706 51.218 5.135 1.00 33.22 O ATOM 1306 CB GLN B 72 73.264 53.836 3.450 1.00 38.26 C ATOM 1307 CG GLN B 72 73.452 54.311 4.872 1.00 45.40 C ATOM 1308 CD GLN B 72 74.830 54.896 5.097 1.00 52.36 C ATOM 1309 OE1 GLN B 72 75.504 54.577 6.079 1.00 55.89 O ATOM 1310 NE2 GLN B 72 75.261 55.759 4.184 1.00 57.16 N ATOM 0 H GLN B 72 73.348 52.711 1.272 1.00 31.69 H new ATOM 0 HA GLN B 72 74.915 52.596 3.369 1.00 33.45 H new ATOM 0 HB2 GLN B 72 73.588 54.521 2.844 1.00 38.26 H new ATOM 0 HB3 GLN B 72 72.316 53.729 3.277 1.00 38.26 H new ATOM 0 HG2 GLN B 72 72.780 54.979 5.081 1.00 45.40 H new ATOM 0 HG3 GLN B 72 73.313 53.569 5.481 1.00 45.40 H new ATOM 0 HE21 GLN B 72 74.763 55.958 3.512 1.00 57.16 H new ATOM 0 HE22 GLN B 72 76.038 56.119 4.265 1.00 57.16 H new ATOM 1311 N VAL B 73 72.401 50.693 3.377 1.00 29.48 N ATOM 1312 CA VAL B 73 71.753 49.593 4.067 1.00 24.76 C ATOM 1313 C VAL B 73 72.821 48.509 4.194 1.00 27.59 C ATOM 1314 O VAL B 73 72.969 47.898 5.250 1.00 32.75 O ATOM 1315 CB VAL B 73 70.553 49.064 3.265 1.00 21.99 C ATOM 1316 CG1 VAL B 73 70.123 47.714 3.783 1.00 22.03 C ATOM 1317 CG2 VAL B 73 69.413 50.035 3.365 1.00 20.03 C ATOM 0 H VAL B 73 72.120 50.831 2.576 1.00 29.48 H new ATOM 0 HA VAL B 73 71.408 49.872 4.930 1.00 24.76 H new ATOM 0 HB VAL B 73 70.816 48.968 2.336 1.00 21.99 H new ATOM 0 HG11 VAL B 73 69.366 47.395 3.267 1.00 22.03 H new ATOM 0 HG12 VAL B 73 70.858 47.086 3.700 1.00 22.03 H new ATOM 0 HG13 VAL B 73 69.868 47.791 4.716 1.00 22.03 H new ATOM 0 HG21 VAL B 73 68.657 49.700 2.858 1.00 20.03 H new ATOM 0 HG22 VAL B 73 69.158 50.140 4.295 1.00 20.03 H new ATOM 0 HG23 VAL B 73 69.687 50.894 3.006 1.00 20.03 H new ATOM 1318 N PHE B 74 73.581 48.290 3.120 1.00 25.72 N ATOM 1319 CA PHE B 74 74.640 47.288 3.121 1.00 19.01 C ATOM 1320 C PHE B 74 75.695 47.721 4.097 1.00 18.26 C ATOM 1321 O PHE B 74 76.173 46.903 4.863 1.00 18.56 O ATOM 1322 CB PHE B 74 75.241 47.133 1.725 1.00 18.29 C ATOM 1323 CG PHE B 74 74.415 46.279 0.809 1.00 17.19 C ATOM 1324 CD1 PHE B 74 74.356 44.897 0.990 1.00 20.78 C ATOM 1325 CD2 PHE B 74 73.671 46.849 -0.210 1.00 16.66 C ATOM 1326 CE1 PHE B 74 73.563 44.089 0.168 1.00 20.94 C ATOM 1327 CE2 PHE B 74 72.866 46.049 -1.044 1.00 20.88 C ATOM 1328 CZ PHE B 74 72.813 44.666 -0.853 1.00 19.37 C ATOM 0 H PHE B 74 73.496 48.716 2.378 1.00 25.72 H new ATOM 0 HA PHE B 74 74.276 46.427 3.381 1.00 19.01 H new ATOM 0 HB2 PHE B 74 75.348 48.011 1.328 1.00 18.29 H new ATOM 0 HB3 PHE B 74 76.127 46.747 1.803 1.00 18.29 H new ATOM 0 HD1 PHE B 74 74.854 44.505 1.671 1.00 20.78 H new ATOM 0 HD2 PHE B 74 73.703 47.769 -0.345 1.00 16.66 H new ATOM 0 HE1 PHE B 74 73.537 43.169 0.303 1.00 20.94 H new ATOM 0 HE2 PHE B 74 72.368 46.443 -1.724 1.00 20.88 H new ATOM 0 HZ PHE B 74 72.282 44.136 -1.403 1.00 19.37 H new ATOM 1329 N ARG B 75 76.038 49.011 4.065 1.00 20.54 N ATOM 1330 CA ARG B 75 77.036 49.603 4.963 1.00 24.36 C ATOM 1331 C ARG B 75 76.562 49.553 6.411 1.00 28.15 C ATOM 1332 O ARG B 75 77.355 49.695 7.336 1.00 31.98 O ATOM 1333 CB ARG B 75 77.290 51.077 4.625 1.00 27.80 C ATOM 1334 CG ARG B 75 77.914 51.361 3.282 1.00 32.17 C ATOM 1335 CD ARG B 75 79.424 51.513 3.394 1.00 41.54 C ATOM 1336 NE ARG B 75 79.865 52.552 4.329 1.00 43.88 N ATOM 1337 CZ ARG B 75 79.709 53.858 4.127 1.00 49.18 C ATOM 1338 NH1 ARG B 75 79.113 54.292 3.019 1.00 53.73 N ATOM 1339 NH2 ARG B 75 80.181 54.733 5.012 1.00 46.08 N ATOM 0 H ARG B 75 75.693 49.574 3.514 1.00 20.54 H new ATOM 0 HA ARG B 75 77.849 49.086 4.847 1.00 24.36 H new ATOM 0 HB2 ARG B 75 76.444 51.550 4.673 1.00 27.80 H new ATOM 0 HB3 ARG B 75 77.864 51.452 5.312 1.00 27.80 H new ATOM 0 HG2 ARG B 75 77.704 50.641 2.667 1.00 32.17 H new ATOM 0 HG3 ARG B 75 77.532 52.172 2.911 1.00 32.17 H new ATOM 0 HD2 ARG B 75 79.803 50.664 3.670 1.00 41.54 H new ATOM 0 HD3 ARG B 75 79.783 51.712 2.515 1.00 41.54 H new ATOM 0 HE ARG B 75 80.250 52.301 5.056 1.00 43.88 H new ATOM 0 HH11 ARG B 75 78.829 53.729 2.435 1.00 53.73 H new ATOM 0 HH12 ARG B 75 79.012 55.136 2.888 1.00 53.73 H new ATOM 0 HH21 ARG B 75 80.588 54.455 5.717 1.00 46.08 H new ATOM 0 HH22 ARG B 75 80.079 55.577 4.879 1.00 46.08 H new ATOM 1340 N GLU B 76 75.261 49.381 6.604 1.00 30.43 N ATOM 1341 CA GLU B 76 74.690 49.324 7.938 1.00 29.48 C ATOM 1342 C GLU B 76 74.713 47.910 8.451 1.00 28.74 C ATOM 1343 O GLU B 76 75.022 47.667 9.605 1.00 27.05 O ATOM 1344 CB GLU B 76 73.262 49.825 7.909 1.00 35.82 C ATOM 1345 CG GLU B 76 73.145 51.284 8.261 1.00 45.75 C ATOM 1346 CD GLU B 76 73.783 51.603 9.599 1.00 51.48 C ATOM 1347 OE1 GLU B 76 73.576 50.824 10.564 1.00 53.95 O ATOM 1348 OE2 GLU B 76 74.492 52.633 9.679 1.00 52.77 O ATOM 0 H GLU B 76 74.688 49.295 5.968 1.00 30.43 H new ATOM 0 HA GLU B 76 75.218 49.886 8.527 1.00 29.48 H new ATOM 0 HB2 GLU B 76 72.891 49.680 7.025 1.00 35.82 H new ATOM 0 HB3 GLU B 76 72.729 49.304 8.529 1.00 35.82 H new ATOM 0 HG2 GLU B 76 73.566 51.817 7.568 1.00 45.75 H new ATOM 0 HG3 GLU B 76 72.208 51.536 8.283 1.00 45.75 H new ATOM 1349 N ALA B 77 74.365 46.966 7.591 1.00 31.60 N ATOM 1350 CA ALA B 77 74.384 45.567 7.994 1.00 34.42 C ATOM 1351 C ALA B 77 75.796 45.266 8.480 1.00 36.85 C ATOM 1352 O ALA B 77 75.985 44.724 9.561 1.00 36.85 O ATOM 1353 CB ALA B 77 74.028 44.671 6.818 1.00 32.94 C ATOM 0 H ALA B 77 74.118 47.109 6.780 1.00 31.60 H new ATOM 0 HA ALA B 77 73.733 45.400 8.694 1.00 34.42 H new ATOM 0 HB1 ALA B 77 74.045 43.743 7.101 1.00 32.94 H new ATOM 0 HB2 ALA B 77 73.140 44.895 6.497 1.00 32.94 H new ATOM 0 HB3 ALA B 77 74.672 44.802 6.104 1.00 32.94 H new ATOM 1354 N LYS B 78 76.782 45.632 7.665 1.00 40.38 N ATOM 1355 CA LYS B 78 78.180 45.425 8.001 1.00 39.34 C ATOM 1356 C LYS B 78 78.404 45.956 9.405 1.00 39.32 C ATOM 1357 O LYS B 78 78.959 45.265 10.246 1.00 41.55 O ATOM 1358 CB LYS B 78 79.062 46.182 7.014 1.00 41.39 C ATOM 1359 CG LYS B 78 80.265 45.417 6.514 1.00 47.03 C ATOM 1360 CD LYS B 78 81.067 46.254 5.514 1.00 49.94 C ATOM 1361 CE LYS B 78 82.398 46.717 6.107 1.00 54.03 C ATOM 1362 NZ LYS B 78 83.146 45.592 6.759 1.00 60.33 N ATOM 0 H LYS B 78 76.655 46.007 6.902 1.00 40.38 H new ATOM 0 HA LYS B 78 78.405 44.483 7.957 1.00 39.34 H new ATOM 0 HB2 LYS B 78 78.521 46.442 6.252 1.00 41.39 H new ATOM 0 HB3 LYS B 78 79.368 47.000 7.436 1.00 41.39 H new ATOM 0 HG2 LYS B 78 80.831 45.171 7.263 1.00 47.03 H new ATOM 0 HG3 LYS B 78 79.976 44.592 6.093 1.00 47.03 H new ATOM 0 HD2 LYS B 78 81.233 45.732 4.714 1.00 49.94 H new ATOM 0 HD3 LYS B 78 80.545 47.027 5.246 1.00 49.94 H new ATOM 0 HE2 LYS B 78 82.945 47.105 5.406 1.00 54.03 H new ATOM 0 HE3 LYS B 78 82.235 47.416 6.759 1.00 54.03 H new ATOM 0 HZ1 LYS B 78 83.979 45.852 6.936 1.00 60.33 H new ATOM 0 HZ2 LYS B 78 82.739 45.365 7.517 1.00 60.33 H new ATOM 0 HZ3 LYS B 78 83.165 44.891 6.211 1.00 60.33 H new ATOM 1363 N ALA B 79 77.944 47.179 9.652 1.00 40.02 N ATOM 1364 CA ALA B 79 78.097 47.830 10.955 1.00 41.00 C ATOM 1365 C ALA B 79 77.532 47.005 12.095 1.00 42.07 C ATOM 1366 O ALA B 79 78.230 46.672 13.036 1.00 42.33 O ATOM 1367 CB ALA B 79 77.429 49.188 10.939 1.00 38.93 C ATOM 0 H ALA B 79 77.533 47.658 9.068 1.00 40.02 H new ATOM 0 HA ALA B 79 79.050 47.925 11.109 1.00 41.00 H new ATOM 0 HB1 ALA B 79 77.535 49.611 11.805 1.00 38.93 H new ATOM 0 HB2 ALA B 79 77.838 49.742 10.256 1.00 38.93 H new ATOM 0 HB3 ALA B 79 76.484 49.082 10.745 1.00 38.93 H new ATOM 1368 N GLU B 80 76.252 46.694 12.019 1.00 45.65 N ATOM 1369 CA GLU B 80 75.635 45.902 13.058 1.00 49.22 C ATOM 1370 C GLU B 80 76.447 44.632 13.246 1.00 49.79 C ATOM 1371 O GLU B 80 76.562 44.133 14.351 1.00 55.11 O ATOM 1372 CB GLU B 80 74.194 45.537 12.686 1.00 56.10 C ATOM 1373 CG GLU B 80 73.119 46.260 13.499 1.00 60.70 C ATOM 1374 CD GLU B 80 73.344 47.757 13.532 1.00 65.16 C ATOM 1375 OE1 GLU B 80 72.892 48.448 12.595 1.00 66.98 O ATOM 1376 OE2 GLU B 80 73.979 48.242 14.491 1.00 67.56 O ATOM 0 H GLU B 80 75.728 46.930 11.379 1.00 45.65 H new ATOM 0 HA GLU B 80 75.614 46.418 13.879 1.00 49.22 H new ATOM 0 HB2 GLU B 80 74.057 45.732 11.746 1.00 56.10 H new ATOM 0 HB3 GLU B 80 74.077 44.581 12.797 1.00 56.10 H new ATOM 0 HG2 GLU B 80 72.247 46.073 13.118 1.00 60.70 H new ATOM 0 HG3 GLU B 80 73.113 45.915 14.405 1.00 60.70 H new ATOM 1377 N GLY B 81 77.012 44.096 12.175 1.00 48.21 N ATOM 1378 CA GLY B 81 77.790 42.886 12.346 1.00 46.12 C ATOM 1379 C GLY B 81 78.029 42.023 11.125 1.00 46.40 C ATOM 1380 O GLY B 81 79.108 41.459 10.982 1.00 50.90 O ATOM 0 H GLY B 81 76.961 44.402 11.373 1.00 48.21 H new ATOM 0 HA2 GLY B 81 78.654 43.136 12.708 1.00 46.12 H new ATOM 0 HA3 GLY B 81 77.349 42.340 13.015 1.00 46.12 H new ATOM 1381 N ALA B 82 77.034 41.905 10.253 1.00 45.26 N ATOM 1382 CA ALA B 82 77.140 41.096 9.035 1.00 44.94 C ATOM 1383 C ALA B 82 78.537 41.101 8.385 1.00 45.69 C ATOM 1384 O ALA B 82 79.203 42.142 8.326 1.00 48.78 O ATOM 1385 CB ALA B 82 76.090 41.567 8.017 1.00 43.74 C ATOM 0 H ALA B 82 76.272 42.293 10.348 1.00 45.26 H new ATOM 0 HA ALA B 82 76.979 40.178 9.305 1.00 44.94 H new ATOM 0 HB1 ALA B 82 76.159 41.033 7.210 1.00 43.74 H new ATOM 0 HB2 ALA B 82 75.203 41.466 8.397 1.00 43.74 H new ATOM 0 HB3 ALA B 82 76.244 42.500 7.801 1.00 43.74 H new ATOM 1386 N ASP B 83 78.980 39.940 7.899 1.00 43.67 N ATOM 1387 CA ASP B 83 80.287 39.835 7.250 1.00 40.39 C ATOM 1388 C ASP B 83 80.185 40.163 5.775 1.00 36.19 C ATOM 1389 O ASP B 83 80.111 39.277 4.929 1.00 31.77 O ATOM 1390 CB ASP B 83 80.864 38.439 7.390 1.00 48.16 C ATOM 1391 CG ASP B 83 82.255 38.340 6.807 1.00 55.50 C ATOM 1392 OD1 ASP B 83 82.394 38.553 5.585 1.00 60.00 O ATOM 1393 OD2 ASP B 83 83.211 38.060 7.565 1.00 60.52 O ATOM 0 H ASP B 83 78.539 39.203 7.935 1.00 43.67 H new ATOM 0 HA ASP B 83 80.871 40.471 7.691 1.00 40.39 H new ATOM 0 HB2 ASP B 83 80.889 38.193 8.328 1.00 48.16 H new ATOM 0 HB3 ASP B 83 80.282 37.803 6.945 1.00 48.16 H new ATOM 1394 N ILE B 84 80.202 41.454 5.483 1.00 33.80 N ATOM 1395 CA ILE B 84 80.083 41.941 4.126 1.00 31.03 C ATOM 1396 C ILE B 84 81.327 42.702 3.686 1.00 29.05 C ATOM 1397 O ILE B 84 81.946 43.416 4.471 1.00 30.48 O ATOM 1398 CB ILE B 84 78.860 42.895 3.996 1.00 33.44 C ATOM 1399 CG1 ILE B 84 77.594 42.219 4.524 1.00 29.82 C ATOM 1400 CG2 ILE B 84 78.659 43.297 2.534 1.00 36.38 C ATOM 1401 CD1 ILE B 84 76.399 43.138 4.553 1.00 27.40 C ATOM 0 H ILE B 84 80.284 42.074 6.073 1.00 33.80 H new ATOM 0 HA ILE B 84 79.969 41.163 3.558 1.00 31.03 H new ATOM 0 HB ILE B 84 79.034 43.689 4.525 1.00 33.44 H new ATOM 0 HG12 ILE B 84 77.390 41.450 3.970 1.00 29.82 H new ATOM 0 HG13 ILE B 84 77.761 41.887 5.420 1.00 29.82 H new ATOM 0 HG21 ILE B 84 77.895 43.891 2.464 1.00 36.38 H new ATOM 0 HG22 ILE B 84 79.453 43.752 2.211 1.00 36.38 H new ATOM 0 HG23 ILE B 84 78.501 42.504 1.999 1.00 36.38 H new ATOM 0 HD11 ILE B 84 75.629 42.657 4.895 1.00 27.40 H new ATOM 0 HD12 ILE B 84 76.588 43.896 5.128 1.00 27.40 H new ATOM 0 HD13 ILE B 84 76.210 43.452 3.655 1.00 27.40 H new ATOM 1402 N THR B 85 81.680 42.537 2.418 1.00 25.93 N ATOM 1403 CA THR B 85 82.814 43.215 1.822 1.00 20.37 C ATOM 1404 C THR B 85 82.265 43.934 0.606 1.00 19.91 C ATOM 1405 O THR B 85 81.613 43.351 -0.249 1.00 19.35 O ATOM 1406 CB THR B 85 83.864 42.236 1.364 1.00 22.46 C ATOM 1407 OG1 THR B 85 84.521 41.674 2.507 1.00 29.96 O ATOM 1408 CG2 THR B 85 84.877 42.937 0.502 1.00 24.66 C ATOM 0 H THR B 85 81.260 42.020 1.874 1.00 25.93 H new ATOM 0 HA THR B 85 83.229 43.810 2.466 1.00 20.37 H new ATOM 0 HB THR B 85 83.440 41.531 0.850 1.00 22.46 H new ATOM 0 HG1 THR B 85 85.106 41.127 2.253 1.00 29.96 H new ATOM 0 HG21 THR B 85 85.550 42.302 0.211 1.00 24.66 H new ATOM 0 HG22 THR B 85 84.435 43.317 -0.273 1.00 24.66 H new ATOM 0 HG23 THR B 85 85.301 43.645 1.011 1.00 24.66 H new ATOM 1409 N ILE B 86 82.546 45.214 0.518 1.00 20.61 N ATOM 1410 CA ILE B 86 82.028 46.000 -0.572 1.00 20.48 C ATOM 1411 C ILE B 86 83.127 46.631 -1.419 1.00 24.77 C ATOM 1412 O ILE B 86 83.885 47.486 -0.951 1.00 26.39 O ATOM 1413 CB ILE B 86 81.124 47.107 -0.021 1.00 22.20 C ATOM 1414 CG1 ILE B 86 80.075 46.516 0.937 1.00 18.71 C ATOM 1415 CG2 ILE B 86 80.461 47.832 -1.147 1.00 24.84 C ATOM 1416 CD1 ILE B 86 79.666 47.481 2.042 1.00 16.33 C ATOM 0 H ILE B 86 83.034 45.647 1.078 1.00 20.61 H new ATOM 0 HA ILE B 86 81.528 45.397 -1.144 1.00 20.48 H new ATOM 0 HB ILE B 86 81.667 47.738 0.477 1.00 22.20 H new ATOM 0 HG12 ILE B 86 79.288 46.261 0.430 1.00 18.71 H new ATOM 0 HG13 ILE B 86 80.429 45.706 1.337 1.00 18.71 H new ATOM 0 HG21 ILE B 86 79.891 48.531 -0.791 1.00 24.84 H new ATOM 0 HG22 ILE B 86 81.137 48.227 -1.720 1.00 24.84 H new ATOM 0 HG23 ILE B 86 79.925 47.209 -1.662 1.00 24.84 H new ATOM 0 HD11 ILE B 86 79.006 47.058 2.613 1.00 16.33 H new ATOM 0 HD12 ILE B 86 80.445 47.718 2.569 1.00 16.33 H new ATOM 0 HD13 ILE B 86 79.286 48.282 1.648 1.00 16.33 H new ATOM 1417 N ILE B 87 83.213 46.184 -2.670 1.00 26.98 N ATOM 1418 CA ILE B 87 84.179 46.708 -3.624 1.00 25.49 C ATOM 1419 C ILE B 87 83.503 47.700 -4.577 1.00 28.90 C ATOM 1420 O ILE B 87 82.717 47.320 -5.446 1.00 26.62 O ATOM 1421 CB ILE B 87 84.777 45.617 -4.483 1.00 20.27 C ATOM 1422 CG1 ILE B 87 85.543 44.636 -3.613 1.00 18.33 C ATOM 1423 CG2 ILE B 87 85.663 46.256 -5.523 1.00 17.76 C ATOM 1424 CD1 ILE B 87 85.114 43.222 -3.813 1.00 16.06 C ATOM 0 H ILE B 87 82.708 45.565 -2.988 1.00 26.98 H new ATOM 0 HA ILE B 87 84.875 47.134 -3.100 1.00 25.49 H new ATOM 0 HB ILE B 87 84.080 45.117 -4.935 1.00 20.27 H new ATOM 0 HG12 ILE B 87 86.491 44.712 -3.806 1.00 18.33 H new ATOM 0 HG13 ILE B 87 85.423 44.876 -2.681 1.00 18.33 H new ATOM 0 HG21 ILE B 87 86.054 45.567 -6.083 1.00 17.76 H new ATOM 0 HG22 ILE B 87 85.136 46.857 -6.072 1.00 17.76 H new ATOM 0 HG23 ILE B 87 86.369 46.755 -5.084 1.00 17.76 H new ATOM 0 HD11 ILE B 87 85.634 42.641 -3.235 1.00 16.06 H new ATOM 0 HD12 ILE B 87 84.173 43.135 -3.596 1.00 16.06 H new ATOM 0 HD13 ILE B 87 85.256 42.968 -4.738 1.00 16.06 H new ATOM 1425 N LEU B 88 83.815 48.977 -4.415 1.00 32.46 N ATOM 1426 CA LEU B 88 83.226 50.003 -5.264 1.00 32.84 C ATOM 1427 C LEU B 88 84.163 50.240 -6.440 1.00 35.25 C ATOM 1428 O LEU B 88 84.970 51.151 -6.407 1.00 34.53 O ATOM 1429 CB LEU B 88 83.038 51.307 -4.470 1.00 28.37 C ATOM 1430 CG LEU B 88 81.712 51.709 -3.793 1.00 20.88 C ATOM 1431 CD1 LEU B 88 80.815 50.521 -3.589 1.00 15.75 C ATOM 1432 CD2 LEU B 88 82.012 52.358 -2.461 1.00 14.36 C ATOM 0 H LEU B 88 84.364 49.271 -3.822 1.00 32.46 H new ATOM 0 HA LEU B 88 82.356 49.713 -5.581 1.00 32.84 H new ATOM 0 HB2 LEU B 88 83.710 51.300 -3.771 1.00 28.37 H new ATOM 0 HB3 LEU B 88 83.266 52.030 -5.075 1.00 28.37 H new ATOM 0 HG LEU B 88 81.249 52.333 -4.373 1.00 20.88 H new ATOM 0 HD11 LEU B 88 79.992 50.806 -3.162 1.00 15.75 H new ATOM 0 HD12 LEU B 88 80.611 50.118 -4.447 1.00 15.75 H new ATOM 0 HD13 LEU B 88 81.262 49.871 -3.025 1.00 15.75 H new ATOM 0 HD21 LEU B 88 81.181 52.613 -2.031 1.00 14.36 H new ATOM 0 HD22 LEU B 88 82.489 51.731 -1.896 1.00 14.36 H new ATOM 0 HD23 LEU B 88 82.558 53.147 -2.601 1.00 14.36 H new ATOM 1433 N SER B 89 84.075 49.405 -7.469 1.00 40.80 N ATOM 1434 CA SER B 89 84.933 49.577 -8.636 1.00 46.17 C ATOM 1435 C SER B 89 84.169 50.344 -9.702 1.00 51.40 C ATOM 1436 O SER B 89 83.265 51.121 -9.310 1.00 57.78 O ATOM 1437 CB SER B 89 85.405 48.218 -9.188 1.00 47.35 C ATOM 1438 OG SER B 89 84.335 47.364 -9.560 1.00 50.44 O ATOM 1439 OXT SER B 89 84.478 50.167 -10.903 1.00 55.86 O ATOM 0 H SER B 89 83.532 48.740 -7.512 1.00 40.80 H new ATOM 0 HA SER B 89 85.723 50.075 -8.374 1.00 46.17 H new ATOM 0 HB2 SER B 89 85.974 48.369 -9.959 1.00 47.35 H new ATOM 0 HB3 SER B 89 85.947 47.774 -8.518 1.00 47.35 H new ATOM 0 HG SER B 89 84.591 46.565 -9.531 1.00 50.44 H new TER 1440 SER B 89 END