USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER PROTO-ONCOGENE 18-DEC-97 1A1X TITLE CRYSTAL STRUCTURE OF MTCP-1 INVOLVED IN T CELL MALIGNANCIES COMPND MOL_ID: 1; COMPND 2 MOLECULE: HMTCP-1; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS MTCP-1, CRYSTAL STRUCTURE, ONCOGENE INVOLVED IN T CELL KEYWDS 2 MALIGNANCIES, PROTO-ONCOGENE EXPDTA X-RAY DIFFRACTION AUTHOR Z.Q.FU,G.C.DUBOIS,S.P.SONG,I.KULIKOVSKAYA,L.VIRGILIO, AUTHOR 2 J.ROTHSTEIN,C.M.CROCE,I.T.WEBER,R.W.HARRISON REVDAT 2 24-FEB-09 1A1X 1 VERSN REVDAT 1 27-MAY-98 1A1X 0 JRNL AUTH Z.Q.FU,G.C.DU BOIS,S.P.SONG,I.KULIKOVSKAYA, JRNL AUTH 2 L.VIRGILIO,J.L.ROTHSTEIN,C.M.CROCE,I.T.WEBER, JRNL AUTH 3 R.W.HARRISON JRNL TITL CRYSTAL STRUCTURE OF MTCP-1: IMPLICATIONS FOR ROLE JRNL TITL 2 OF TCL-1 AND MTCP-1 IN T CELL MALIGNANCIES. JRNL REF PROC.NATL.ACAD.SCI.USA V. 95 3413 1998 JRNL REFN ISSN 0027-8424 JRNL PMID 9520380 JRNL DOI 10.1073/PNAS.95.7.3413 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.50 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1000000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0010 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.7 REMARK 3 NUMBER OF REFLECTIONS : 6733 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) : 0.211 REMARK 3 FREE R VALUE : 0.253 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.600 REMARK 3 FREE R VALUE TEST SET COUNT : 582 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.010 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.09 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.30 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 739 REMARK 3 BIN R VALUE (WORKING SET) : 0.2550 REMARK 3 BIN FREE R VALUE : 0.2680 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 8.70 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 73 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.031 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 881 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 24 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.01 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : 1.40 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.92 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.19 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) : 2.157 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.319 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 4.210 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 6.231 ; 2.500 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : TIP3P.PARAMETER REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TIP3P.TOPOLOGY REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1A1X 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 : SEP-97 REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 7.8 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 : NI FILTER REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 7194 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 21.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 200 DATA REDUNDANCY : 5.900 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.04700 REMARK 200 FOR THE DATA SET : 15.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.3 REMARK 200 DATA REDUNDANCY IN SHELL : 5.40 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.14700 REMARK 200 FOR SHELL : 7.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD PHASING REMARK 200 SOFTWARE USED: MADSYS, X-PLOR 3.8 REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 37.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.00 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED FROM 1.5M REMARK 280 AMS WITH TRIZMA BUFFER AT PH 7.8 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 62 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z REMARK 290 5555 Y,-X+Y,Z+2/3 REMARK 290 6555 X-Y,X,Z+1/3 REMARK 290 7555 Y,X,-Z+2/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+1/3 REMARK 290 10555 -Y,-X,-Z+2/3 REMARK 290 11555 -X+Y,Y,-Z REMARK 290 12555 X,X-Y,-Z+1/3 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 57.30800 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.65400 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 57.30800 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 28.65400 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 57.30800 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 28.65400 REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 57.30800 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 28.65400 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 REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 31.33250 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 54.26948 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 1 REMARK 465 SER A 2 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 GLU A 75 37.60 76.92 REMARK 500 REMARK 500 REMARK: NULL DBREF 1A1X A 3 108 UNP P56278 MTCPB_HUMAN 2 107 SEQRES 1 A 108 GLY SER ALA GLY GLU ASP VAL GLY ALA PRO PRO ASP HIS SEQRES 2 A 108 LEU TRP VAL HIS GLN GLU GLY ILE TYR ARG ASP GLU TYR SEQRES 3 A 108 GLN ARG THR TRP VAL ALA VAL VAL GLU GLU GLU THR SER SEQRES 4 A 108 PHE LEU ARG ALA ARG VAL GLN GLN ILE GLN VAL PRO LEU SEQRES 5 A 108 GLY ASP ALA ALA ARG PRO SER HIS LEU LEU THR SER GLN SEQRES 6 A 108 LEU PRO LEU MET TRP GLN LEU TYR PRO GLU GLU ARG TYR SEQRES 7 A 108 MET ASP ASN ASN SER ARG LEU TRP GLN ILE GLN HIS HIS SEQRES 8 A 108 LEU MET VAL ARG GLY VAL GLN GLU LEU LEU LEU LYS LEU SEQRES 9 A 108 LEU PRO ASP ASP FORMUL 2 HOH *24(H2 O) HELIX 1 1 PRO A 58 THR A 63 1 6 SHEET 1 A 9 HIS A 13 TRP A 15 0 SHEET 2 A 9 MET A 69 TYR A 73 -1 N TRP A 70 O LEU A 14 SHEET 3 A 9 ARG A 77 ASP A 80 -1 N MET A 79 O GLN A 71 SHEET 4 A 9 LEU A 85 VAL A 94 -1 N TRP A 86 O TYR A 78 SHEET 5 A 9 VAL A 97 LEU A 104 -1 N LYS A 103 O GLN A 87 SHEET 6 A 9 LEU A 41 GLN A 46 -1 N VAL A 45 O LEU A 100 SHEET 7 A 9 THR A 29 GLU A 36 -1 N GLU A 35 O ARG A 42 SHEET 8 A 9 ILE A 21 ASP A 24 -1 N TYR A 22 O TRP A 30 SHEET 9 A 9 LEU A 14 GLN A 18 -1 N GLN A 18 O ILE A 21 CRYST1 62.665 62.665 85.962 90.00 90.00 120.00 P 62 2 2 12 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 0.015958 0.009213 0.000000 0.00000 SCALE2 0.000000 0.018427 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011633 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 HIS : no HE2:sc= 0.518 K(o=1.6,f=-9.2!) USER MOD Set 1.2: A 98 GLN :FLIP amide:sc= 1.1 F(o=0.86!,f=1.6) USER MOD Single : A 13 HIS : no HE2:sc= 0.0566 K(o=0.057,f=-1.5) USER MOD Single : A 17 HIS : no HD1:sc= -0.227 K(o=-0.23,f=-2.1!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot -149:sc= 0.145! USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 78:sc= 0.687 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 1.24 K(o=1.2,f=-1.8!) USER MOD Single : A 47 GLN : amide:sc= 0.832 K(o=0.83,f=-0.11) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 136:sc= 1.21 USER MOD Single : A 65 GLN : amide:sc= 0.00442 X(o=0.0044,f=0) USER MOD Single : A 69 MET CE :methyl -163:sc= -0.23 (180deg=-0.805) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 19:sc= 0.759 USER MOD Single : A 79 MET CE :methyl -166:sc= -0.0498 (180deg=-0.305) USER MOD Single : A 81 ASN : amide:sc= -0.0366 K(o=-0.037,f=-5.9!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.0859 F(o=-0.66,f=-0.086) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.0053) USER MOD Single : A 89 GLN : amide:sc= 0.0582 K(o=0.058,f=-7.5!) USER MOD Single : A 90 HIS :FLIP no HD1:sc= -3.72! C(o=-5.2!,f=-3.7!) USER MOD Single : A 93 MET CE :methyl 160:sc= -4.13! (180deg=-4.88!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 9.430 27.207 36.902 1.00 32.66 N ATOM 2 CA ALA A 3 9.560 25.910 36.169 1.00 36.84 C ATOM 3 C ALA A 3 8.771 24.851 36.930 1.00 35.55 C ATOM 4 O ALA A 3 9.268 24.262 37.891 1.00 34.17 O ATOM 5 CB ALA A 3 11.037 25.499 36.056 1.00 38.15 C ATOM 0 HA ALA A 3 9.210 26.003 35.269 1.00 36.84 H new ATOM 0 HB1 ALA A 3 11.103 24.657 35.579 1.00 38.15 H new ATOM 0 HB2 ALA A 3 11.527 26.183 35.574 1.00 38.15 H new ATOM 0 HB3 ALA A 3 11.414 25.397 36.944 1.00 38.15 H new ATOM 6 N GLY A 4 7.541 24.611 36.486 1.00 34.63 N ATOM 7 CA GLY A 4 6.682 23.653 37.152 1.00 32.01 C ATOM 8 C GLY A 4 5.852 24.387 38.180 1.00 33.93 C ATOM 9 O GLY A 4 5.178 23.764 38.988 1.00 34.34 O ATOM 0 H GLY A 4 7.190 24.994 35.801 1.00 34.63 H new ATOM 0 HA2 GLY A 4 6.107 23.211 36.508 1.00 32.01 H new ATOM 0 HA3 GLY A 4 7.214 22.963 37.578 1.00 32.01 H new ATOM 10 N GLU A 5 5.912 25.720 38.137 1.00 34.69 N ATOM 11 CA GLU A 5 5.178 26.594 39.057 1.00 33.67 C ATOM 12 C GLU A 5 4.090 27.381 38.346 1.00 36.27 C ATOM 13 O GLU A 5 4.075 27.480 37.119 1.00 36.32 O ATOM 14 CB GLU A 5 6.118 27.622 39.703 1.00 30.77 C ATOM 15 CG GLU A 5 7.142 27.082 40.685 1.00 26.98 C ATOM 16 CD GLU A 5 6.539 26.635 42.002 1.00 21.88 C ATOM 17 OE1 GLU A 5 5.872 27.449 42.666 1.00 17.97 O ATOM 18 OE2 GLU A 5 6.758 25.472 42.387 1.00 23.83 O ATOM 0 H GLU A 5 6.388 26.149 37.563 1.00 34.69 H new ATOM 0 HA GLU A 5 4.786 26.009 39.724 1.00 33.67 H new ATOM 0 HB2 GLU A 5 6.592 28.087 38.995 1.00 30.77 H new ATOM 0 HB3 GLU A 5 5.576 28.282 40.162 1.00 30.77 H new ATOM 0 HG2 GLU A 5 7.606 26.333 40.279 1.00 26.98 H new ATOM 0 HG3 GLU A 5 7.807 27.767 40.858 1.00 26.98 H new ATOM 19 N ASP A 6 3.211 27.969 39.153 1.00 39.47 N ATOM 20 CA ASP A 6 2.109 28.817 38.696 1.00 43.46 C ATOM 21 C ASP A 6 2.241 30.130 39.484 1.00 43.77 C ATOM 22 O ASP A 6 1.246 30.733 39.884 1.00 47.03 O ATOM 23 CB ASP A 6 0.747 28.163 39.003 1.00 47.84 C ATOM 24 CG ASP A 6 0.395 27.031 38.041 1.00 51.43 C ATOM 25 OD1 ASP A 6 -0.030 27.329 36.900 1.00 51.13 O ATOM 26 OD2 ASP A 6 0.514 25.846 38.435 1.00 54.02 O ATOM 0 H ASP A 6 3.239 27.884 40.008 1.00 39.47 H new ATOM 0 HA ASP A 6 2.151 28.957 37.737 1.00 43.46 H new ATOM 0 HB2 ASP A 6 0.757 27.818 39.910 1.00 47.84 H new ATOM 0 HB3 ASP A 6 0.053 28.840 38.965 1.00 47.84 H new ATOM 27 N VAL A 7 3.485 30.551 39.715 1.00 43.28 N ATOM 28 CA VAL A 7 3.794 31.769 40.475 1.00 38.90 C ATOM 29 C VAL A 7 3.660 33.042 39.640 1.00 39.82 C ATOM 30 O VAL A 7 3.479 34.133 40.182 1.00 42.59 O ATOM 31 CB VAL A 7 5.221 31.694 41.099 1.00 34.86 C ATOM 32 CG1 VAL A 7 6.279 31.737 40.015 1.00 29.95 C ATOM 33 CG2 VAL A 7 5.433 32.803 42.110 1.00 30.38 C ATOM 0 H VAL A 7 4.182 30.134 39.433 1.00 43.28 H new ATOM 0 HA VAL A 7 3.134 31.817 41.185 1.00 38.90 H new ATOM 0 HB VAL A 7 5.302 30.849 41.568 1.00 34.86 H new ATOM 0 HG11 VAL A 7 7.159 31.690 40.420 1.00 29.95 H new ATOM 0 HG12 VAL A 7 6.158 30.985 39.415 1.00 29.95 H new ATOM 0 HG13 VAL A 7 6.197 32.565 39.516 1.00 29.95 H new ATOM 0 HG21 VAL A 7 6.326 32.735 42.483 1.00 30.38 H new ATOM 0 HG22 VAL A 7 5.330 33.663 41.673 1.00 30.38 H new ATOM 0 HG23 VAL A 7 4.779 32.722 42.822 1.00 30.38 H new ATOM 34 N GLY A 8 3.756 32.898 38.322 1.00 36.52 N ATOM 35 CA GLY A 8 3.627 34.047 37.445 1.00 33.02 C ATOM 36 C GLY A 8 4.917 34.810 37.234 1.00 33.14 C ATOM 37 O GLY A 8 6.006 34.305 37.530 1.00 35.75 O ATOM 0 H GLY A 8 3.894 32.149 37.922 1.00 36.52 H new ATOM 0 HA2 GLY A 8 3.294 33.749 36.584 1.00 33.02 H new ATOM 0 HA3 GLY A 8 2.962 34.650 37.813 1.00 33.02 H new ATOM 38 N ALA A 9 4.783 36.045 36.753 1.00 28.39 N ATOM 39 CA ALA A 9 5.935 36.896 36.465 1.00 23.88 C ATOM 40 C ALA A 9 6.555 37.588 37.676 1.00 19.87 C ATOM 41 O ALA A 9 5.860 37.951 38.633 1.00 18.30 O ATOM 42 CB ALA A 9 5.568 37.933 35.408 1.00 23.25 C ATOM 0 H ALA A 9 4.023 36.412 36.585 1.00 28.39 H new ATOM 0 HA ALA A 9 6.619 36.291 36.138 1.00 23.88 H new ATOM 0 HB1 ALA A 9 6.338 38.493 35.223 1.00 23.25 H new ATOM 0 HB2 ALA A 9 5.293 37.482 34.594 1.00 23.25 H new ATOM 0 HB3 ALA A 9 4.839 38.484 35.734 1.00 23.25 H new ATOM 43 N PRO A 10 7.890 37.735 37.665 1.00 18.90 N ATOM 44 CA PRO A 10 8.609 38.392 38.759 1.00 18.82 C ATOM 45 C PRO A 10 8.400 39.897 38.649 1.00 16.65 C ATOM 46 O PRO A 10 7.968 40.387 37.605 1.00 16.16 O ATOM 47 CB PRO A 10 10.066 38.001 38.486 1.00 16.22 C ATOM 48 CG PRO A 10 10.112 37.875 37.016 1.00 17.71 C ATOM 49 CD PRO A 10 8.839 37.128 36.714 1.00 18.47 C ATOM 0 HA PRO A 10 8.321 38.138 39.650 1.00 18.82 H new ATOM 0 HB2 PRO A 10 10.684 38.676 38.807 1.00 16.22 H new ATOM 0 HB3 PRO A 10 10.302 37.169 38.925 1.00 16.22 H new ATOM 0 HG2 PRO A 10 10.135 38.741 36.580 1.00 17.71 H new ATOM 0 HG3 PRO A 10 10.896 37.387 36.720 1.00 17.71 H new ATOM 0 HD2 PRO A 10 8.557 37.249 35.794 1.00 18.47 H new ATOM 0 HD3 PRO A 10 8.936 36.174 36.858 1.00 18.47 H new ATOM 50 N PRO A 11 8.648 40.644 39.738 1.00 17.77 N ATOM 51 CA PRO A 11 8.460 42.095 39.656 1.00 17.80 C ATOM 52 C PRO A 11 9.399 42.773 38.655 1.00 16.54 C ATOM 53 O PRO A 11 10.559 42.395 38.513 1.00 16.67 O ATOM 54 CB PRO A 11 8.721 42.560 41.095 1.00 15.87 C ATOM 55 CG PRO A 11 9.636 41.536 41.635 1.00 13.61 C ATOM 56 CD PRO A 11 9.046 40.248 41.100 1.00 15.18 C ATOM 0 HA PRO A 11 7.578 42.331 39.327 1.00 17.80 H new ATOM 0 HB2 PRO A 11 9.122 43.443 41.117 1.00 15.87 H new ATOM 0 HB3 PRO A 11 7.899 42.609 41.608 1.00 15.87 H new ATOM 0 HG2 PRO A 11 10.547 41.669 41.329 1.00 13.61 H new ATOM 0 HG3 PRO A 11 9.658 41.547 42.605 1.00 13.61 H new ATOM 0 HD2 PRO A 11 9.693 39.526 41.095 1.00 15.18 H new ATOM 0 HD3 PRO A 11 8.290 39.947 41.627 1.00 15.18 H new ATOM 57 N ASP A 12 8.854 43.737 37.920 1.00 18.08 N ATOM 58 CA ASP A 12 9.603 44.511 36.940 1.00 17.00 C ATOM 59 C ASP A 12 10.733 45.280 37.635 1.00 15.91 C ATOM 60 O ASP A 12 11.806 45.497 37.066 1.00 15.96 O ATOM 61 CB ASP A 12 8.648 45.466 36.226 1.00 23.98 C ATOM 62 CG ASP A 12 9.368 46.493 35.406 1.00 34.63 C ATOM 63 OD1 ASP A 12 10.050 46.108 34.427 1.00 42.77 O ATOM 64 OD2 ASP A 12 9.262 47.688 35.758 1.00 42.27 O ATOM 0 H ASP A 12 8.026 43.962 37.978 1.00 18.08 H new ATOM 0 HA ASP A 12 10.004 43.919 36.284 1.00 17.00 H new ATOM 0 HB2 ASP A 12 8.055 44.956 35.652 1.00 23.98 H new ATOM 0 HB3 ASP A 12 8.092 45.913 36.883 1.00 23.98 H new ATOM 65 N HIS A 13 10.470 45.715 38.860 1.00 16.48 N ATOM 66 CA HIS A 13 11.475 46.421 39.641 1.00 17.19 C ATOM 67 C HIS A 13 11.238 46.393 41.146 1.00 16.91 C ATOM 68 O HIS A 13 10.117 46.152 41.627 1.00 15.83 O ATOM 69 CB HIS A 13 11.674 47.856 39.139 1.00 25.37 C ATOM 70 CG HIS A 13 10.460 48.722 39.244 1.00 29.62 C ATOM 71 ND1 HIS A 13 9.757 49.149 38.137 1.00 33.44 N ATOM 72 CD2 HIS A 13 9.865 49.299 40.316 1.00 32.29 C ATOM 73 CE1 HIS A 13 8.785 49.958 38.523 1.00 34.91 C ATOM 74 NE2 HIS A 13 8.829 50.067 39.840 1.00 32.19 N ATOM 0 H HIS A 13 9.715 45.611 39.258 1.00 16.48 H new ATOM 0 HA HIS A 13 12.296 45.925 39.499 1.00 17.19 H new ATOM 0 HB2 HIS A 13 12.395 48.266 39.643 1.00 25.37 H new ATOM 0 HB3 HIS A 13 11.957 47.826 38.212 1.00 25.37 H new ATOM 0 HD1 HIS A 13 9.924 48.924 37.324 1.00 33.44 H new ATOM 0 HD2 HIS A 13 10.111 49.195 41.207 1.00 32.29 H new ATOM 0 HE1 HIS A 13 8.174 50.379 37.963 1.00 34.91 H new ATOM 75 N LEU A 14 12.329 46.579 41.883 1.00 13.14 N ATOM 76 CA LEU A 14 12.301 46.599 43.336 1.00 13.46 C ATOM 77 C LEU A 14 13.125 47.791 43.804 1.00 16.02 C ATOM 78 O LEU A 14 14.309 47.905 43.477 1.00 16.65 O ATOM 79 CB LEU A 14 12.883 45.300 43.886 1.00 15.55 C ATOM 80 CG LEU A 14 12.020 44.066 43.607 1.00 18.25 C ATOM 81 CD1 LEU A 14 12.834 42.786 43.691 1.00 20.49 C ATOM 82 CD2 LEU A 14 10.870 44.050 44.581 1.00 15.43 C ATOM 0 H LEU A 14 13.112 46.698 41.548 1.00 13.14 H new ATOM 0 HA LEU A 14 11.389 46.679 43.657 1.00 13.46 H new ATOM 0 HB2 LEU A 14 13.763 45.162 43.502 1.00 15.55 H new ATOM 0 HB3 LEU A 14 13.003 45.390 44.844 1.00 15.55 H new ATOM 0 HG LEU A 14 11.675 44.115 42.702 1.00 18.25 H new ATOM 0 HD11 LEU A 14 12.260 42.025 43.510 1.00 20.49 H new ATOM 0 HD12 LEU A 14 13.550 42.814 43.037 1.00 20.49 H new ATOM 0 HD13 LEU A 14 13.212 42.701 44.580 1.00 20.49 H new ATOM 0 HD21 LEU A 14 10.315 43.272 44.414 1.00 15.43 H new ATOM 0 HD22 LEU A 14 11.214 44.013 45.487 1.00 15.43 H new ATOM 0 HD23 LEU A 14 10.340 44.855 44.469 1.00 15.43 H new ATOM 83 N TRP A 15 12.472 48.712 44.506 1.00 17.72 N ATOM 84 CA TRP A 15 13.135 49.902 45.014 1.00 14.75 C ATOM 85 C TRP A 15 13.231 49.777 46.525 1.00 12.21 C ATOM 86 O TRP A 15 12.233 49.528 47.190 1.00 13.12 O ATOM 87 CB TRP A 15 12.339 51.172 44.677 1.00 21.09 C ATOM 88 CG TRP A 15 12.285 51.581 43.224 1.00 31.43 C ATOM 89 CD1 TRP A 15 11.213 51.476 42.387 1.00 38.00 C ATOM 90 CD2 TRP A 15 13.305 52.258 42.478 1.00 38.37 C ATOM 91 NE1 TRP A 15 11.495 52.056 41.173 1.00 40.79 N ATOM 92 CE2 TRP A 15 12.773 52.543 41.203 1.00 40.40 C ATOM 93 CE3 TRP A 15 14.618 52.658 42.767 1.00 45.21 C ATOM 94 CZ2 TRP A 15 13.507 53.213 40.214 1.00 48.64 C ATOM 95 CZ3 TRP A 15 15.353 53.329 41.778 1.00 48.47 C ATOM 96 CH2 TRP A 15 14.792 53.598 40.522 1.00 50.70 C ATOM 0 H TRP A 15 11.635 48.663 44.699 1.00 17.72 H new ATOM 0 HA TRP A 15 14.011 49.973 44.604 1.00 14.75 H new ATOM 0 HB2 TRP A 15 11.429 51.050 44.990 1.00 21.09 H new ATOM 0 HB3 TRP A 15 12.717 51.908 45.184 1.00 21.09 H new ATOM 0 HD1 TRP A 15 10.406 51.070 42.607 1.00 38.00 H new ATOM 0 HE1 TRP A 15 10.956 52.105 40.504 1.00 40.79 H new ATOM 0 HE3 TRP A 15 14.994 52.482 43.599 1.00 45.21 H new ATOM 0 HZ2 TRP A 15 13.138 53.391 39.379 1.00 48.64 H new ATOM 0 HZ3 TRP A 15 16.224 53.599 41.958 1.00 48.47 H new ATOM 0 HH2 TRP A 15 15.299 54.046 39.884 1.00 50.70 H new ATOM 97 N VAL A 16 14.431 49.977 47.061 1.00 9.84 N ATOM 98 CA VAL A 16 14.671 49.900 48.495 1.00 9.61 C ATOM 99 C VAL A 16 13.919 51.007 49.246 1.00 11.80 C ATOM 100 O VAL A 16 13.683 52.103 48.708 1.00 11.41 O ATOM 101 CB VAL A 16 16.199 50.006 48.794 1.00 9.84 C ATOM 102 CG1 VAL A 16 16.706 51.412 48.526 1.00 11.99 C ATOM 103 CG2 VAL A 16 16.504 49.582 50.204 1.00 13.17 C ATOM 0 H VAL A 16 15.132 50.162 46.599 1.00 9.84 H new ATOM 0 HA VAL A 16 14.341 49.042 48.805 1.00 9.61 H new ATOM 0 HB VAL A 16 16.664 49.401 48.195 1.00 9.84 H new ATOM 0 HG11 VAL A 16 17.656 51.456 48.718 1.00 11.99 H new ATOM 0 HG12 VAL A 16 16.554 51.639 47.595 1.00 11.99 H new ATOM 0 HG13 VAL A 16 16.233 52.040 49.093 1.00 11.99 H new ATOM 0 HG21 VAL A 16 17.458 49.656 50.365 1.00 13.17 H new ATOM 0 HG22 VAL A 16 16.026 50.154 50.825 1.00 13.17 H new ATOM 0 HG23 VAL A 16 16.226 48.662 50.333 1.00 13.17 H new ATOM 104 N HIS A 17 13.464 50.686 50.451 1.00 11.23 N ATOM 105 CA HIS A 17 12.779 51.667 51.289 1.00 12.50 C ATOM 106 C HIS A 17 13.635 51.843 52.530 1.00 11.56 C ATOM 107 O HIS A 17 14.045 52.952 52.892 1.00 15.66 O ATOM 108 CB HIS A 17 11.392 51.190 51.693 1.00 8.81 C ATOM 109 CG HIS A 17 10.611 52.228 52.424 1.00 12.32 C ATOM 110 ND1 HIS A 17 10.009 53.286 51.782 1.00 16.44 N ATOM 111 CD2 HIS A 17 10.406 52.422 53.745 1.00 12.87 C ATOM 112 CE1 HIS A 17 9.470 54.092 52.677 1.00 16.27 C ATOM 113 NE2 HIS A 17 9.698 53.590 53.877 1.00 18.21 N ATOM 0 H HIS A 17 13.541 49.905 50.804 1.00 11.23 H new ATOM 0 HA HIS A 17 12.663 52.498 50.802 1.00 12.50 H new ATOM 0 HB2 HIS A 17 10.903 50.923 50.899 1.00 8.81 H new ATOM 0 HB3 HIS A 17 11.476 50.402 52.252 1.00 8.81 H new ATOM 0 HD2 HIS A 17 10.691 51.868 54.435 1.00 12.87 H new ATOM 0 HE1 HIS A 17 9.009 54.879 52.494 1.00 16.27 H new ATOM 0 HE2 HIS A 17 9.444 53.939 54.621 1.00 18.21 H new ATOM 114 N GLN A 18 13.916 50.709 53.152 1.00 14.35 N ATOM 115 CA GLN A 18 14.740 50.621 54.333 1.00 15.00 C ATOM 116 C GLN A 18 15.655 49.445 54.024 1.00 14.65 C ATOM 117 O GLN A 18 15.330 48.620 53.166 1.00 15.16 O ATOM 118 CB GLN A 18 13.859 50.309 55.531 1.00 25.19 C ATOM 119 CG GLN A 18 14.554 50.392 56.852 1.00 37.43 C ATOM 120 CD GLN A 18 13.623 50.070 57.994 1.00 42.68 C ATOM 121 OE1 GLN A 18 13.239 48.912 58.186 1.00 45.28 O ATOM 122 NE2 GLN A 18 13.250 51.094 58.764 1.00 41.38 N ATOM 0 H GLN A 18 13.620 49.947 52.886 1.00 14.35 H new ATOM 0 HA GLN A 18 15.227 51.434 54.540 1.00 15.00 H new ATOM 0 HB2 GLN A 18 13.108 50.923 55.534 1.00 25.19 H new ATOM 0 HB3 GLN A 18 13.494 49.416 55.426 1.00 25.19 H new ATOM 0 HG2 GLN A 18 15.304 49.777 56.862 1.00 37.43 H new ATOM 0 HG3 GLN A 18 14.917 51.284 56.972 1.00 37.43 H new ATOM 0 HE21 GLN A 18 13.540 51.886 58.596 1.00 41.38 H new ATOM 0 HE22 GLN A 18 12.719 50.962 59.428 1.00 41.38 H new ATOM 123 N GLU A 19 16.794 49.366 54.701 1.00 12.93 N ATOM 124 CA GLU A 19 17.742 48.280 54.469 1.00 16.07 C ATOM 125 C GLU A 19 17.025 46.937 54.491 1.00 11.82 C ATOM 126 O GLU A 19 16.378 46.601 55.475 1.00 13.21 O ATOM 127 CB GLU A 19 18.836 48.293 55.548 1.00 19.28 C ATOM 128 CG GLU A 19 20.275 48.282 55.018 1.00 31.93 C ATOM 129 CD GLU A 19 20.785 46.893 54.672 1.00 36.30 C ATOM 130 OE1 GLU A 19 20.530 46.406 53.549 1.00 43.02 O ATOM 131 OE2 GLU A 19 21.462 46.292 55.527 1.00 41.71 O ATOM 0 H GLU A 19 17.039 49.932 55.301 1.00 12.93 H new ATOM 0 HA GLU A 19 18.148 48.409 53.598 1.00 16.07 H new ATOM 0 HB2 GLU A 19 18.716 49.081 56.101 1.00 19.28 H new ATOM 0 HB3 GLU A 19 18.712 47.522 56.123 1.00 19.28 H new ATOM 0 HG2 GLU A 19 20.325 48.843 54.228 1.00 31.93 H new ATOM 0 HG3 GLU A 19 20.860 48.677 55.684 1.00 31.93 H new ATOM 132 N GLY A 20 17.087 46.212 53.380 1.00 9.32 N ATOM 133 CA GLY A 20 16.446 44.910 53.306 1.00 10.78 C ATOM 134 C GLY A 20 14.967 44.868 52.953 1.00 12.37 C ATOM 135 O GLY A 20 14.415 43.779 52.759 1.00 11.40 O ATOM 0 H GLY A 20 17.493 46.456 52.662 1.00 9.32 H new ATOM 0 HA2 GLY A 20 16.924 44.379 52.650 1.00 10.78 H new ATOM 0 HA3 GLY A 20 16.560 44.472 54.164 1.00 10.78 H new ATOM 136 N ILE A 21 14.310 46.028 52.900 1.00 11.21 N ATOM 137 CA ILE A 21 12.892 46.071 52.553 1.00 11.81 C ATOM 138 C ILE A 21 12.714 46.872 51.274 1.00 13.84 C ATOM 139 O ILE A 21 13.095 48.043 51.192 1.00 12.70 O ATOM 140 CB ILE A 21 12.025 46.652 53.693 1.00 11.59 C ATOM 141 CG1 ILE A 21 12.224 45.832 54.967 1.00 15.04 C ATOM 142 CG2 ILE A 21 10.528 46.603 53.308 1.00 16.33 C ATOM 143 CD1 ILE A 21 11.451 46.351 56.168 1.00 22.83 C ATOM 0 H ILE A 21 14.665 46.795 53.060 1.00 11.21 H new ATOM 0 HA ILE A 21 12.587 45.161 52.414 1.00 11.81 H new ATOM 0 HB ILE A 21 12.295 47.572 53.842 1.00 11.59 H new ATOM 0 HG12 ILE A 21 11.957 44.915 54.795 1.00 15.04 H new ATOM 0 HG13 ILE A 21 13.169 45.816 55.185 1.00 15.04 H new ATOM 0 HG21 ILE A 21 9.996 46.970 54.031 1.00 16.33 H new ATOM 0 HG22 ILE A 21 10.383 47.125 52.503 1.00 16.33 H new ATOM 0 HG23 ILE A 21 10.265 45.683 53.148 1.00 16.33 H new ATOM 0 HD11 ILE A 21 11.625 45.784 56.935 1.00 22.83 H new ATOM 0 HD12 ILE A 21 11.732 47.258 56.367 1.00 22.83 H new ATOM 0 HD13 ILE A 21 10.501 46.343 55.970 1.00 22.83 H new ATOM 144 N TYR A 22 12.169 46.202 50.266 1.00 10.11 N ATOM 145 CA TYR A 22 11.950 46.777 48.958 1.00 11.86 C ATOM 146 C TYR A 22 10.471 46.880 48.634 1.00 14.44 C ATOM 147 O TYR A 22 9.631 46.292 49.307 1.00 17.52 O ATOM 148 CB TYR A 22 12.627 45.892 47.902 1.00 8.92 C ATOM 149 CG TYR A 22 14.139 45.866 48.001 1.00 8.62 C ATOM 150 CD1 TYR A 22 14.785 45.139 49.005 1.00 10.70 C ATOM 151 CD2 TYR A 22 14.922 46.599 47.115 1.00 6.29 C ATOM 152 CE1 TYR A 22 16.175 45.155 49.120 1.00 13.66 C ATOM 153 CE2 TYR A 22 16.305 46.622 47.219 1.00 6.68 C ATOM 154 CZ TYR A 22 16.925 45.902 48.221 1.00 8.01 C ATOM 155 OH TYR A 22 18.292 45.938 48.326 1.00 14.82 O ATOM 0 H TYR A 22 11.913 45.384 50.330 1.00 10.11 H new ATOM 0 HA TYR A 22 12.327 47.671 48.955 1.00 11.86 H new ATOM 0 HB2 TYR A 22 12.290 44.986 47.988 1.00 8.92 H new ATOM 0 HB3 TYR A 22 12.375 46.206 47.020 1.00 8.92 H new ATOM 0 HD1 TYR A 22 14.281 44.638 49.605 1.00 10.70 H new ATOM 0 HD2 TYR A 22 14.509 47.084 46.438 1.00 6.29 H new ATOM 0 HE1 TYR A 22 16.596 44.670 49.793 1.00 13.66 H new ATOM 0 HE2 TYR A 22 16.811 47.119 46.618 1.00 6.68 H new ATOM 0 HH TYR A 22 18.575 46.681 48.055 1.00 14.82 H new ATOM 156 N ARG A 23 10.165 47.624 47.580 1.00 16.60 N ATOM 157 CA ARG A 23 8.795 47.780 47.097 1.00 18.95 C ATOM 158 C ARG A 23 8.796 47.633 45.575 1.00 15.47 C ATOM 159 O ARG A 23 9.690 48.150 44.905 1.00 14.40 O ATOM 160 CB ARG A 23 8.221 49.138 47.497 1.00 21.56 C ATOM 161 CG ARG A 23 7.813 49.224 48.949 1.00 33.66 C ATOM 162 CD ARG A 23 6.893 50.401 49.176 1.00 36.15 C ATOM 163 NE ARG A 23 7.556 51.660 48.866 1.00 38.83 N ATOM 164 CZ ARG A 23 7.224 52.829 49.402 1.00 45.05 C ATOM 165 NH1 ARG A 23 6.229 52.903 50.282 1.00 46.49 N ATOM 166 NH2 ARG A 23 7.899 53.923 49.069 1.00 46.39 N ATOM 0 H ARG A 23 10.749 48.057 47.120 1.00 16.60 H new ATOM 0 HA ARG A 23 8.235 47.097 47.498 1.00 18.95 H new ATOM 0 HB2 ARG A 23 8.881 49.825 47.314 1.00 21.56 H new ATOM 0 HB3 ARG A 23 7.450 49.330 46.941 1.00 21.56 H new ATOM 0 HG2 ARG A 23 7.368 48.404 49.214 1.00 33.66 H new ATOM 0 HG3 ARG A 23 8.602 49.312 49.507 1.00 33.66 H new ATOM 0 HD2 ARG A 23 6.101 50.306 48.624 1.00 36.15 H new ATOM 0 HD3 ARG A 23 6.596 50.408 50.099 1.00 36.15 H new ATOM 0 HE ARG A 23 8.203 51.646 48.300 1.00 38.83 H new ATOM 0 HH11 ARG A 23 5.799 52.193 50.505 1.00 46.49 H new ATOM 0 HH12 ARG A 23 6.016 53.661 50.628 1.00 46.49 H new ATOM 0 HH21 ARG A 23 8.549 53.873 48.508 1.00 46.39 H new ATOM 0 HH22 ARG A 23 7.686 54.681 49.414 1.00 46.39 H new ATOM 167 N ASP A 24 7.824 46.904 45.033 1.00 15.56 N ATOM 168 CA ASP A 24 7.751 46.703 43.588 1.00 15.72 C ATOM 169 C ASP A 24 6.818 47.714 42.934 1.00 14.47 C ATOM 170 O ASP A 24 6.343 48.640 43.588 1.00 14.11 O ATOM 171 CB ASP A 24 7.346 45.256 43.239 1.00 14.43 C ATOM 172 CG ASP A 24 5.984 44.855 43.801 1.00 15.26 C ATOM 173 OD1 ASP A 24 5.147 45.727 44.070 1.00 11.84 O ATOM 174 OD2 ASP A 24 5.738 43.649 43.967 1.00 18.06 O ATOM 0 H ASP A 24 7.200 46.519 45.482 1.00 15.56 H new ATOM 0 HA ASP A 24 8.640 46.850 43.229 1.00 15.72 H new ATOM 0 HB2 ASP A 24 7.333 45.155 42.274 1.00 14.43 H new ATOM 0 HB3 ASP A 24 8.021 44.648 43.579 1.00 14.43 H new ATOM 175 N GLU A 25 6.554 47.529 41.650 1.00 14.92 N ATOM 176 CA GLU A 25 5.680 48.429 40.904 1.00 17.73 C ATOM 177 C GLU A 25 4.238 48.519 41.430 1.00 20.50 C ATOM 178 O GLU A 25 3.505 49.436 41.066 1.00 22.81 O ATOM 179 CB GLU A 25 5.652 48.021 39.435 1.00 18.41 C ATOM 180 CG GLU A 25 5.109 46.612 39.187 1.00 19.84 C ATOM 181 CD GLU A 25 6.198 45.564 39.068 1.00 21.17 C ATOM 182 OE1 GLU A 25 7.249 45.697 39.736 1.00 16.47 O ATOM 183 OE2 GLU A 25 5.994 44.602 38.298 1.00 18.38 O ATOM 0 H GLU A 25 6.874 46.881 41.184 1.00 14.92 H new ATOM 0 HA GLU A 25 6.062 49.313 41.022 1.00 17.73 H new ATOM 0 HB2 GLU A 25 5.110 48.657 38.943 1.00 18.41 H new ATOM 0 HB3 GLU A 25 6.551 48.078 39.076 1.00 18.41 H new ATOM 0 HG2 GLU A 25 4.513 46.369 39.913 1.00 19.84 H new ATOM 0 HG3 GLU A 25 4.580 46.614 38.374 1.00 19.84 H new ATOM 184 N TYR A 26 3.834 47.561 42.265 1.00 19.79 N ATOM 185 CA TYR A 26 2.488 47.528 42.843 1.00 21.31 C ATOM 186 C TYR A 26 2.441 48.038 44.276 1.00 22.08 C ATOM 187 O TYR A 26 1.401 47.937 44.933 1.00 25.79 O ATOM 188 CB TYR A 26 1.937 46.108 42.830 1.00 17.73 C ATOM 189 CG TYR A 26 1.869 45.496 41.466 1.00 23.02 C ATOM 190 CD1 TYR A 26 1.336 46.203 40.393 1.00 20.72 C ATOM 191 CD2 TYR A 26 2.335 44.205 41.242 1.00 26.28 C ATOM 192 CE1 TYR A 26 1.269 45.640 39.127 1.00 23.56 C ATOM 193 CE2 TYR A 26 2.272 43.629 39.977 1.00 28.23 C ATOM 194 CZ TYR A 26 1.740 44.353 38.927 1.00 26.06 C ATOM 195 OH TYR A 26 1.681 43.801 37.672 1.00 30.94 O ATOM 0 H TYR A 26 4.336 46.908 42.514 1.00 19.79 H new ATOM 0 HA TYR A 26 1.949 48.116 42.291 1.00 21.31 H new ATOM 0 HB2 TYR A 26 2.491 45.550 43.398 1.00 17.73 H new ATOM 0 HB3 TYR A 26 1.048 46.112 43.218 1.00 17.73 H new ATOM 0 HD1 TYR A 26 1.019 47.067 40.527 1.00 20.72 H new ATOM 0 HD2 TYR A 26 2.694 43.719 41.949 1.00 26.28 H new ATOM 0 HE1 TYR A 26 0.910 46.123 38.418 1.00 23.56 H new ATOM 0 HE2 TYR A 26 2.585 42.764 39.839 1.00 28.23 H new ATOM 0 HH TYR A 26 1.998 43.023 37.692 1.00 30.94 H new ATOM 196 N GLN A 27 3.567 48.563 44.759 1.00 20.91 N ATOM 197 CA GLN A 27 3.694 49.077 46.126 1.00 23.01 C ATOM 198 C GLN A 27 3.722 47.972 47.180 1.00 20.14 C ATOM 199 O GLN A 27 3.596 48.237 48.373 1.00 19.46 O ATOM 200 CB GLN A 27 2.581 50.077 46.454 1.00 28.90 C ATOM 201 CG GLN A 27 2.663 51.391 45.694 1.00 36.12 C ATOM 202 CD GLN A 27 1.415 52.238 45.891 1.00 42.43 C ATOM 203 OE1 GLN A 27 0.546 52.304 45.009 1.00 43.99 O ATOM 204 NE2 GLN A 27 1.303 52.870 47.063 1.00 45.23 N ATOM 0 H GLN A 27 4.289 48.632 44.297 1.00 20.91 H new ATOM 0 HA GLN A 27 4.551 49.531 46.156 1.00 23.01 H new ATOM 0 HB2 GLN A 27 1.725 49.662 46.267 1.00 28.90 H new ATOM 0 HB3 GLN A 27 2.603 50.266 47.405 1.00 28.90 H new ATOM 0 HG2 GLN A 27 3.441 51.888 45.991 1.00 36.12 H new ATOM 0 HG3 GLN A 27 2.785 51.211 44.749 1.00 36.12 H new ATOM 0 HE21 GLN A 27 1.927 52.800 47.651 1.00 45.23 H new ATOM 0 HE22 GLN A 27 0.607 53.346 47.230 1.00 45.23 H new ATOM 205 N ARG A 28 3.878 46.731 46.735 1.00 17.12 N ATOM 206 CA ARG A 28 3.953 45.605 47.650 1.00 15.88 C ATOM 207 C ARG A 28 5.370 45.522 48.209 1.00 14.06 C ATOM 208 O ARG A 28 6.345 45.813 47.514 1.00 11.98 O ATOM 209 CB ARG A 28 3.613 44.308 46.925 1.00 15.62 C ATOM 210 CG ARG A 28 2.188 44.240 46.440 1.00 15.16 C ATOM 211 CD ARG A 28 1.945 42.941 45.743 1.00 18.63 C ATOM 212 NE ARG A 28 2.935 42.734 44.697 1.00 21.42 N ATOM 213 CZ ARG A 28 3.028 41.633 43.963 1.00 26.57 C ATOM 214 NH1 ARG A 28 2.183 40.626 44.161 1.00 29.04 N ATOM 215 NH2 ARG A 28 3.971 41.536 43.033 1.00 28.28 N ATOM 0 H ARG A 28 3.943 46.521 45.904 1.00 17.12 H new ATOM 0 HA ARG A 28 3.316 45.732 48.370 1.00 15.88 H new ATOM 0 HB2 ARG A 28 4.209 44.205 46.167 1.00 15.62 H new ATOM 0 HB3 ARG A 28 3.779 43.561 47.521 1.00 15.62 H new ATOM 0 HG2 ARG A 28 1.579 44.332 47.189 1.00 15.16 H new ATOM 0 HG3 ARG A 28 2.009 44.978 45.836 1.00 15.16 H new ATOM 0 HD2 ARG A 28 1.984 42.212 46.382 1.00 18.63 H new ATOM 0 HD3 ARG A 28 1.054 42.935 45.359 1.00 18.63 H new ATOM 0 HE ARG A 28 3.497 43.367 44.545 1.00 21.42 H new ATOM 0 HH11 ARG A 28 1.575 40.688 44.766 1.00 29.04 H new ATOM 0 HH12 ARG A 28 2.245 39.913 43.684 1.00 29.04 H new ATOM 0 HH21 ARG A 28 4.520 42.186 42.908 1.00 28.28 H new ATOM 0 HH22 ARG A 28 4.033 40.823 42.556 1.00 28.28 H new ATOM 216 N THR A 29 5.482 45.146 49.475 1.00 12.54 N ATOM 217 CA THR A 29 6.791 45.039 50.098 1.00 14.08 C ATOM 218 C THR A 29 7.409 43.646 49.966 1.00 13.70 C ATOM 219 O THR A 29 6.709 42.630 49.943 1.00 11.99 O ATOM 220 CB THR A 29 6.752 45.457 51.579 1.00 13.34 C ATOM 221 OG1 THR A 29 5.743 44.712 52.259 1.00 12.89 O ATOM 222 CG2 THR A 29 6.454 46.935 51.707 1.00 17.38 C ATOM 0 H THR A 29 4.819 44.950 49.986 1.00 12.54 H new ATOM 0 HA THR A 29 7.360 45.655 49.611 1.00 14.08 H new ATOM 0 HB THR A 29 7.619 45.276 51.975 1.00 13.34 H new ATOM 0 HG1 THR A 29 6.024 43.936 52.414 1.00 12.89 H new ATOM 0 HG21 THR A 29 6.433 47.181 52.645 1.00 17.38 H new ATOM 0 HG22 THR A 29 7.144 47.445 51.255 1.00 17.38 H new ATOM 0 HG23 THR A 29 5.593 47.128 51.303 1.00 17.38 H new ATOM 223 N TRP A 30 8.729 43.627 49.823 1.00 12.04 N ATOM 224 CA TRP A 30 9.507 42.404 49.701 1.00 8.73 C ATOM 225 C TRP A 30 10.625 42.509 50.717 1.00 10.06 C ATOM 226 O TRP A 30 11.212 43.577 50.872 1.00 12.46 O ATOM 227 CB TRP A 30 10.117 42.310 48.314 1.00 9.80 C ATOM 228 CG TRP A 30 9.145 42.015 47.236 1.00 11.47 C ATOM 229 CD1 TRP A 30 8.245 42.881 46.681 1.00 13.90 C ATOM 230 CD2 TRP A 30 8.989 40.772 46.543 1.00 10.96 C ATOM 231 NE1 TRP A 30 7.542 42.254 45.683 1.00 13.05 N ATOM 232 CE2 TRP A 30 7.978 40.958 45.575 1.00 12.91 C ATOM 233 CE3 TRP A 30 9.607 39.518 46.643 1.00 8.88 C ATOM 234 CZ2 TRP A 30 7.571 39.937 44.708 1.00 12.83 C ATOM 235 CZ3 TRP A 30 9.203 38.501 45.776 1.00 8.59 C ATOM 236 CH2 TRP A 30 8.195 38.720 44.823 1.00 10.12 C ATOM 0 H TRP A 30 9.207 44.342 49.794 1.00 12.04 H new ATOM 0 HA TRP A 30 8.950 41.623 49.847 1.00 8.73 H new ATOM 0 HB2 TRP A 30 10.563 43.147 48.112 1.00 9.80 H new ATOM 0 HB3 TRP A 30 10.798 41.619 48.318 1.00 9.80 H new ATOM 0 HD1 TRP A 30 8.126 43.766 46.942 1.00 13.90 H new ATOM 0 HE1 TRP A 30 6.927 42.615 45.203 1.00 13.05 H new ATOM 0 HE3 TRP A 30 10.273 39.366 47.274 1.00 8.88 H new ATOM 0 HZ2 TRP A 30 6.902 40.078 44.077 1.00 12.83 H new ATOM 0 HZ3 TRP A 30 9.608 37.665 45.830 1.00 8.59 H new ATOM 0 HH2 TRP A 30 7.945 38.025 44.258 1.00 10.12 H new ATOM 237 N VAL A 31 10.879 41.433 51.455 1.00 10.56 N ATOM 238 CA VAL A 31 11.948 41.421 52.452 1.00 9.81 C ATOM 239 C VAL A 31 13.123 40.644 51.863 1.00 13.48 C ATOM 240 O VAL A 31 12.961 39.500 51.413 1.00 14.18 O ATOM 241 CB VAL A 31 11.490 40.749 53.777 1.00 11.63 C ATOM 242 CG1 VAL A 31 12.655 40.641 54.748 1.00 13.21 C ATOM 243 CG2 VAL A 31 10.353 41.548 54.416 1.00 13.94 C ATOM 0 H VAL A 31 10.442 40.695 51.394 1.00 10.56 H new ATOM 0 HA VAL A 31 12.199 42.334 52.663 1.00 9.81 H new ATOM 0 HB VAL A 31 11.170 39.857 53.571 1.00 11.63 H new ATOM 0 HG11 VAL A 31 12.354 40.220 55.569 1.00 13.21 H new ATOM 0 HG12 VAL A 31 13.360 40.106 54.350 1.00 13.21 H new ATOM 0 HG13 VAL A 31 12.995 41.528 54.945 1.00 13.21 H new ATOM 0 HG21 VAL A 31 10.078 41.117 55.241 1.00 13.94 H new ATOM 0 HG22 VAL A 31 10.658 42.448 54.608 1.00 13.94 H new ATOM 0 HG23 VAL A 31 9.601 41.586 53.805 1.00 13.94 H new ATOM 244 N ALA A 32 14.295 41.272 51.842 1.00 12.15 N ATOM 245 CA ALA A 32 15.483 40.632 51.293 1.00 11.67 C ATOM 246 C ALA A 32 16.520 40.285 52.353 1.00 13.21 C ATOM 247 O ALA A 32 16.853 41.109 53.202 1.00 12.93 O ATOM 248 CB ALA A 32 16.105 41.507 50.209 1.00 9.35 C ATOM 0 H ALA A 32 14.422 42.068 52.141 1.00 12.15 H new ATOM 0 HA ALA A 32 15.191 39.792 50.905 1.00 11.67 H new ATOM 0 HB1 ALA A 32 16.894 41.069 49.853 1.00 9.35 H new ATOM 0 HB2 ALA A 32 15.462 41.645 49.496 1.00 9.35 H new ATOM 0 HB3 ALA A 32 16.355 42.364 50.588 1.00 9.35 H new ATOM 249 N VAL A 33 17.004 39.046 52.308 1.00 10.78 N ATOM 250 CA VAL A 33 18.021 38.593 53.236 1.00 11.43 C ATOM 251 C VAL A 33 19.234 38.106 52.451 1.00 13.65 C ATOM 252 O VAL A 33 19.106 37.604 51.335 1.00 14.89 O ATOM 253 CB VAL A 33 17.524 37.454 54.182 1.00 11.64 C ATOM 254 CG1 VAL A 33 16.376 37.938 55.045 1.00 15.29 C ATOM 255 CG2 VAL A 33 17.130 36.213 53.396 1.00 15.10 C ATOM 0 H VAL A 33 16.751 38.452 51.740 1.00 10.78 H new ATOM 0 HA VAL A 33 18.251 39.348 53.800 1.00 11.43 H new ATOM 0 HB VAL A 33 18.260 37.209 54.765 1.00 11.64 H new ATOM 0 HG11 VAL A 33 16.081 37.218 55.625 1.00 15.29 H new ATOM 0 HG12 VAL A 33 16.671 38.688 55.585 1.00 15.29 H new ATOM 0 HG13 VAL A 33 15.640 38.218 54.478 1.00 15.29 H new ATOM 0 HG21 VAL A 33 16.826 35.525 54.008 1.00 15.10 H new ATOM 0 HG22 VAL A 33 16.415 36.434 52.779 1.00 15.10 H new ATOM 0 HG23 VAL A 33 17.897 35.888 52.899 1.00 15.10 H new ATOM 256 N VAL A 34 20.414 38.291 53.033 1.00 14.86 N ATOM 257 CA VAL A 34 21.646 37.861 52.398 1.00 14.07 C ATOM 258 C VAL A 34 22.019 36.455 52.849 1.00 10.75 C ATOM 259 O VAL A 34 21.917 36.128 54.024 1.00 12.88 O ATOM 260 CB VAL A 34 22.833 38.825 52.725 1.00 13.34 C ATOM 261 CG1 VAL A 34 24.138 38.293 52.108 1.00 17.43 C ATOM 262 CG2 VAL A 34 22.546 40.230 52.203 1.00 10.34 C ATOM 0 H VAL A 34 20.520 38.666 53.800 1.00 14.86 H new ATOM 0 HA VAL A 34 21.489 37.872 51.441 1.00 14.07 H new ATOM 0 HB VAL A 34 22.933 38.867 53.689 1.00 13.34 H new ATOM 0 HG11 VAL A 34 24.866 38.899 52.318 1.00 17.43 H new ATOM 0 HG12 VAL A 34 24.334 37.415 52.472 1.00 17.43 H new ATOM 0 HG13 VAL A 34 24.038 38.229 51.145 1.00 17.43 H new ATOM 0 HG21 VAL A 34 23.292 40.813 52.415 1.00 10.34 H new ATOM 0 HG22 VAL A 34 22.423 40.199 51.241 1.00 10.34 H new ATOM 0 HG23 VAL A 34 21.740 40.572 52.621 1.00 10.34 H new ATOM 263 N GLU A 35 22.381 35.615 51.888 1.00 13.04 N ATOM 264 CA GLU A 35 22.835 34.252 52.161 1.00 15.26 C ATOM 265 C GLU A 35 24.138 34.116 51.384 1.00 15.10 C ATOM 266 O GLU A 35 24.164 33.746 50.214 1.00 14.57 O ATOM 267 CB GLU A 35 21.794 33.246 51.716 1.00 13.76 C ATOM 268 CG GLU A 35 20.471 33.523 52.377 1.00 22.79 C ATOM 269 CD GLU A 35 19.466 32.421 52.186 1.00 25.07 C ATOM 270 OE1 GLU A 35 19.432 31.844 51.076 1.00 29.90 O ATOM 271 OE2 GLU A 35 18.710 32.142 53.149 1.00 26.94 O ATOM 0 H GLU A 35 22.371 35.818 51.052 1.00 13.04 H new ATOM 0 HA GLU A 35 22.971 34.082 53.106 1.00 15.26 H new ATOM 0 HB2 GLU A 35 21.693 33.283 50.752 1.00 13.76 H new ATOM 0 HB3 GLU A 35 22.089 32.349 51.936 1.00 13.76 H new ATOM 0 HG2 GLU A 35 20.614 33.660 53.327 1.00 22.79 H new ATOM 0 HG3 GLU A 35 20.107 34.349 52.023 1.00 22.79 H new ATOM 272 N GLU A 36 25.219 34.495 52.045 1.00 18.73 N ATOM 273 CA GLU A 36 26.538 34.495 51.446 1.00 23.19 C ATOM 274 C GLU A 36 27.283 33.164 51.426 1.00 23.70 C ATOM 275 O GLU A 36 27.430 32.499 52.452 1.00 27.43 O ATOM 276 CB GLU A 36 27.376 35.547 52.148 1.00 22.75 C ATOM 277 CG GLU A 36 28.673 35.866 51.466 1.00 31.51 C ATOM 278 CD GLU A 36 29.457 36.917 52.210 1.00 34.90 C ATOM 279 OE1 GLU A 36 28.839 37.748 52.915 1.00 40.64 O ATOM 280 OE2 GLU A 36 30.698 36.904 52.094 1.00 37.73 O ATOM 0 H GLU A 36 25.206 34.762 52.862 1.00 18.73 H new ATOM 0 HA GLU A 36 26.396 34.690 50.506 1.00 23.19 H new ATOM 0 HB2 GLU A 36 26.855 36.362 52.224 1.00 22.75 H new ATOM 0 HB3 GLU A 36 27.564 35.245 53.050 1.00 22.75 H new ATOM 0 HG2 GLU A 36 29.205 35.059 51.391 1.00 31.51 H new ATOM 0 HG3 GLU A 36 28.496 36.174 50.563 1.00 31.51 H new ATOM 281 N GLU A 37 27.721 32.768 50.234 1.00 23.31 N ATOM 282 CA GLU A 37 28.492 31.541 50.059 1.00 21.82 C ATOM 283 C GLU A 37 29.966 31.943 50.125 1.00 23.97 C ATOM 284 O GLU A 37 30.283 33.116 50.356 1.00 26.06 O ATOM 285 CB GLU A 37 28.176 30.902 48.702 1.00 24.57 C ATOM 286 CG GLU A 37 26.700 30.564 48.489 1.00 26.70 C ATOM 287 CD GLU A 37 26.165 29.566 49.496 1.00 26.82 C ATOM 288 OE1 GLU A 37 26.893 28.607 49.822 1.00 30.00 O ATOM 289 OE2 GLU A 37 25.013 29.739 49.957 1.00 34.57 O ATOM 0 H GLU A 37 27.580 33.202 49.505 1.00 23.31 H new ATOM 0 HA GLU A 37 28.274 30.890 50.744 1.00 21.82 H new ATOM 0 HB2 GLU A 37 28.463 31.505 47.999 1.00 24.57 H new ATOM 0 HB3 GLU A 37 28.699 30.090 48.610 1.00 24.57 H new ATOM 0 HG2 GLU A 37 26.177 31.379 48.541 1.00 26.70 H new ATOM 0 HG3 GLU A 37 26.582 30.207 47.595 1.00 26.70 H new ATOM 290 N THR A 38 30.869 30.987 49.923 1.00 22.64 N ATOM 291 CA THR A 38 32.303 31.288 49.966 1.00 21.52 C ATOM 292 C THR A 38 32.760 32.121 48.760 1.00 19.63 C ATOM 293 O THR A 38 33.459 33.131 48.899 1.00 19.04 O ATOM 294 CB THR A 38 33.157 29.991 50.014 1.00 18.09 C ATOM 295 OG1 THR A 38 32.874 29.271 51.216 1.00 21.23 O ATOM 296 CG2 THR A 38 34.640 30.326 49.983 1.00 20.54 C ATOM 0 H THR A 38 30.678 30.164 49.761 1.00 22.64 H new ATOM 0 HA THR A 38 32.438 31.803 50.777 1.00 21.52 H new ATOM 0 HB THR A 38 32.934 29.451 49.240 1.00 18.09 H new ATOM 0 HG1 THR A 38 33.336 28.570 51.238 1.00 21.23 H new ATOM 0 HG21 THR A 38 35.158 29.506 50.014 1.00 20.54 H new ATOM 0 HG22 THR A 38 34.846 30.808 49.167 1.00 20.54 H new ATOM 0 HG23 THR A 38 34.863 30.878 50.749 1.00 20.54 H new ATOM 297 N SER A 39 32.320 31.703 47.585 1.00 17.14 N ATOM 298 CA SER A 39 32.705 32.346 46.353 1.00 20.78 C ATOM 299 C SER A 39 31.734 33.376 45.810 1.00 21.63 C ATOM 300 O SER A 39 32.076 34.109 44.886 1.00 19.37 O ATOM 301 CB SER A 39 32.952 31.274 45.308 1.00 21.56 C ATOM 302 OG SER A 39 33.744 30.251 45.882 1.00 26.38 O ATOM 0 H SER A 39 31.788 31.035 47.484 1.00 17.14 H new ATOM 0 HA SER A 39 33.505 32.854 46.560 1.00 20.78 H new ATOM 0 HB2 SER A 39 32.109 30.910 44.994 1.00 21.56 H new ATOM 0 HB3 SER A 39 33.401 31.654 44.537 1.00 21.56 H new ATOM 0 HG SER A 39 33.885 29.652 45.311 1.00 26.38 H new ATOM 303 N PHE A 40 30.524 33.436 46.358 1.00 22.41 N ATOM 304 CA PHE A 40 29.545 34.404 45.860 1.00 19.83 C ATOM 305 C PHE A 40 28.464 34.754 46.864 1.00 17.95 C ATOM 306 O PHE A 40 28.410 34.213 47.971 1.00 14.28 O ATOM 307 CB PHE A 40 28.905 33.921 44.546 1.00 19.37 C ATOM 308 CG PHE A 40 28.293 32.570 44.650 1.00 25.11 C ATOM 309 CD1 PHE A 40 29.058 31.434 44.424 1.00 29.88 C ATOM 310 CD2 PHE A 40 26.972 32.423 45.044 1.00 26.71 C ATOM 311 CE1 PHE A 40 28.513 30.159 44.598 1.00 32.01 C ATOM 312 CE2 PHE A 40 26.419 31.156 45.219 1.00 30.64 C ATOM 313 CZ PHE A 40 27.193 30.021 44.997 1.00 28.16 C ATOM 0 H PHE A 40 30.252 32.938 47.005 1.00 22.41 H new ATOM 0 HA PHE A 40 30.048 35.217 45.697 1.00 19.83 H new ATOM 0 HB2 PHE A 40 28.225 34.557 44.272 1.00 19.37 H new ATOM 0 HB3 PHE A 40 29.580 33.910 43.850 1.00 19.37 H new ATOM 0 HD1 PHE A 40 29.943 31.522 44.154 1.00 29.88 H new ATOM 0 HD2 PHE A 40 26.450 33.178 45.193 1.00 26.71 H new ATOM 0 HE1 PHE A 40 29.035 29.405 44.446 1.00 32.01 H new ATOM 0 HE2 PHE A 40 25.532 31.069 45.484 1.00 30.64 H new ATOM 0 HZ PHE A 40 26.826 29.175 45.116 1.00 28.16 H new ATOM 314 N LEU A 41 27.578 35.645 46.436 1.00 16.59 N ATOM 315 CA LEU A 41 26.498 36.110 47.272 1.00 11.19 C ATOM 316 C LEU A 41 25.134 35.890 46.639 1.00 10.44 C ATOM 317 O LEU A 41 24.955 36.052 45.431 1.00 6.65 O ATOM 318 CB LEU A 41 26.718 37.590 47.570 1.00 15.40 C ATOM 319 CG LEU A 41 25.764 38.265 48.542 1.00 17.96 C ATOM 320 CD1 LEU A 41 26.560 39.122 49.509 1.00 22.78 C ATOM 321 CD2 LEU A 41 24.742 39.076 47.781 1.00 17.63 C ATOM 0 H LEU A 41 27.592 35.994 45.650 1.00 16.59 H new ATOM 0 HA LEU A 41 26.503 35.594 48.093 1.00 11.19 H new ATOM 0 HB2 LEU A 41 27.619 37.694 47.915 1.00 15.40 H new ATOM 0 HB3 LEU A 41 26.679 38.073 46.730 1.00 15.40 H new ATOM 0 HG LEU A 41 25.282 37.598 49.055 1.00 17.96 H new ATOM 0 HD11 LEU A 41 25.955 39.555 50.131 1.00 22.78 H new ATOM 0 HD12 LEU A 41 27.183 38.563 50.000 1.00 22.78 H new ATOM 0 HD13 LEU A 41 27.052 39.796 49.015 1.00 22.78 H new ATOM 0 HD21 LEU A 41 24.137 39.504 48.407 1.00 17.63 H new ATOM 0 HD22 LEU A 41 25.194 39.754 47.254 1.00 17.63 H new ATOM 0 HD23 LEU A 41 24.238 38.492 47.193 1.00 17.63 H new ATOM 322 N ARG A 42 24.189 35.475 47.472 1.00 9.43 N ATOM 323 CA ARG A 42 22.810 35.248 47.058 1.00 12.78 C ATOM 324 C ARG A 42 21.896 36.091 47.942 1.00 10.33 C ATOM 325 O ARG A 42 22.240 36.417 49.077 1.00 13.14 O ATOM 326 CB ARG A 42 22.407 33.772 47.218 1.00 10.56 C ATOM 327 CG ARG A 42 22.983 32.814 46.171 1.00 13.78 C ATOM 328 CD ARG A 42 22.105 31.557 46.035 1.00 15.67 C ATOM 329 NE ARG A 42 22.758 30.495 45.267 1.00 15.51 N ATOM 330 CZ ARG A 42 23.399 29.456 45.799 1.00 12.10 C ATOM 331 NH1 ARG A 42 23.481 29.314 47.114 1.00 11.66 N ATOM 332 NH2 ARG A 42 23.978 28.561 45.013 1.00 13.24 N ATOM 0 H ARG A 42 24.332 35.315 48.305 1.00 9.43 H new ATOM 0 HA ARG A 42 22.728 35.491 46.122 1.00 12.78 H new ATOM 0 HB2 ARG A 42 22.685 33.471 48.097 1.00 10.56 H new ATOM 0 HB3 ARG A 42 21.439 33.712 47.191 1.00 10.56 H new ATOM 0 HG2 ARG A 42 23.045 33.264 45.314 1.00 13.78 H new ATOM 0 HG3 ARG A 42 23.884 32.558 46.422 1.00 13.78 H new ATOM 0 HD2 ARG A 42 21.884 31.224 46.919 1.00 15.67 H new ATOM 0 HD3 ARG A 42 21.269 31.795 45.605 1.00 15.67 H new ATOM 0 HE ARG A 42 22.725 30.546 44.409 1.00 15.51 H new ATOM 0 HH11 ARG A 42 23.118 29.896 47.633 1.00 11.66 H new ATOM 0 HH12 ARG A 42 23.897 28.640 47.449 1.00 11.66 H new ATOM 0 HH21 ARG A 42 23.940 28.651 44.159 1.00 13.24 H new ATOM 0 HH22 ARG A 42 24.392 27.890 45.357 1.00 13.24 H new ATOM 333 N ALA A 43 20.754 36.483 47.396 1.00 10.52 N ATOM 334 CA ALA A 43 19.769 37.244 48.148 1.00 9.84 C ATOM 335 C ALA A 43 18.465 36.478 47.999 1.00 8.98 C ATOM 336 O ALA A 43 18.105 36.083 46.903 1.00 12.92 O ATOM 337 CB ALA A 43 19.622 38.647 47.585 1.00 8.83 C ATOM 0 H ALA A 43 20.529 36.316 46.583 1.00 10.52 H new ATOM 0 HA ALA A 43 20.031 37.342 49.077 1.00 9.84 H new ATOM 0 HB1 ALA A 43 18.961 39.135 48.101 1.00 8.83 H new ATOM 0 HB2 ALA A 43 20.475 39.107 47.635 1.00 8.83 H new ATOM 0 HB3 ALA A 43 19.336 38.596 46.660 1.00 8.83 H new ATOM 338 N ARG A 44 17.814 36.185 49.114 1.00 8.69 N ATOM 339 CA ARG A 44 16.542 35.481 49.087 1.00 9.60 C ATOM 340 C ARG A 44 15.524 36.573 49.385 1.00 8.62 C ATOM 341 O ARG A 44 15.603 37.242 50.409 1.00 15.33 O ATOM 342 CB ARG A 44 16.518 34.378 50.144 1.00 8.69 C ATOM 343 CG ARG A 44 15.315 33.456 50.048 1.00 11.48 C ATOM 344 CD ARG A 44 15.657 32.081 50.596 1.00 14.85 C ATOM 345 NE ARG A 44 16.129 32.153 51.969 1.00 20.01 N ATOM 346 CZ ARG A 44 15.340 32.179 53.038 1.00 25.11 C ATOM 347 NH1 ARG A 44 14.021 32.138 52.904 1.00 28.22 N ATOM 348 NH2 ARG A 44 15.878 32.232 54.246 1.00 25.52 N ATOM 0 H ARG A 44 18.094 36.386 49.902 1.00 8.69 H new ATOM 0 HA ARG A 44 16.365 35.035 48.244 1.00 9.60 H new ATOM 0 HB2 ARG A 44 17.327 33.849 50.064 1.00 8.69 H new ATOM 0 HB3 ARG A 44 16.532 34.786 51.024 1.00 8.69 H new ATOM 0 HG2 ARG A 44 14.571 33.832 50.544 1.00 11.48 H new ATOM 0 HG3 ARG A 44 15.031 33.381 49.124 1.00 11.48 H new ATOM 0 HD2 ARG A 44 14.874 31.511 50.552 1.00 14.85 H new ATOM 0 HD3 ARG A 44 16.338 31.671 50.040 1.00 14.85 H new ATOM 0 HE ARG A 44 16.979 32.181 52.099 1.00 20.01 H new ATOM 0 HH11 ARG A 44 13.670 32.094 52.120 1.00 28.22 H new ATOM 0 HH12 ARG A 44 13.517 32.155 53.601 1.00 28.22 H new ATOM 0 HH21 ARG A 44 16.733 32.249 54.335 1.00 25.52 H new ATOM 0 HH22 ARG A 44 15.372 32.249 54.941 1.00 25.52 H new ATOM 349 N VAL A 45 14.621 36.805 48.443 1.00 11.50 N ATOM 350 CA VAL A 45 13.641 37.875 48.581 1.00 12.07 C ATOM 351 C VAL A 45 12.228 37.313 48.583 1.00 12.67 C ATOM 352 O VAL A 45 11.825 36.616 47.648 1.00 13.12 O ATOM 353 CB VAL A 45 13.792 38.915 47.421 1.00 12.86 C ATOM 354 CG1 VAL A 45 13.174 40.231 47.812 1.00 12.39 C ATOM 355 CG2 VAL A 45 15.270 39.105 47.038 1.00 10.08 C ATOM 0 H VAL A 45 14.558 36.354 47.714 1.00 11.50 H new ATOM 0 HA VAL A 45 13.804 38.320 49.427 1.00 12.07 H new ATOM 0 HB VAL A 45 13.323 38.571 46.644 1.00 12.86 H new ATOM 0 HG11 VAL A 45 13.275 40.865 47.085 1.00 12.39 H new ATOM 0 HG12 VAL A 45 12.231 40.103 48.000 1.00 12.39 H new ATOM 0 HG13 VAL A 45 13.617 40.574 48.603 1.00 12.39 H new ATOM 0 HG21 VAL A 45 15.337 39.752 46.319 1.00 10.08 H new ATOM 0 HG22 VAL A 45 15.766 39.425 47.808 1.00 10.08 H new ATOM 0 HG23 VAL A 45 15.640 38.258 46.745 1.00 10.08 H new ATOM 356 N GLN A 46 11.487 37.623 49.644 1.00 9.87 N ATOM 357 CA GLN A 46 10.119 37.152 49.799 1.00 12.52 C ATOM 358 C GLN A 46 9.104 38.285 49.902 1.00 12.60 C ATOM 359 O GLN A 46 9.328 39.284 50.596 1.00 10.34 O ATOM 360 CB GLN A 46 10.004 36.250 51.033 1.00 12.62 C ATOM 361 CG GLN A 46 10.774 34.950 50.921 1.00 16.77 C ATOM 362 CD GLN A 46 10.550 34.052 52.113 1.00 19.44 C ATOM 363 OE1 GLN A 46 9.951 34.464 53.097 1.00 17.87 O ATOM 364 NE2 GLN A 46 11.032 32.813 52.031 1.00 14.24 N ATOM 0 H GLN A 46 11.766 38.113 50.293 1.00 9.87 H new ATOM 0 HA GLN A 46 9.910 36.650 48.996 1.00 12.52 H new ATOM 0 HB2 GLN A 46 10.322 36.737 51.809 1.00 12.62 H new ATOM 0 HB3 GLN A 46 9.068 36.048 51.188 1.00 12.62 H new ATOM 0 HG2 GLN A 46 10.506 34.485 50.113 1.00 16.77 H new ATOM 0 HG3 GLN A 46 11.721 35.143 50.836 1.00 16.77 H new ATOM 0 HE21 GLN A 46 11.448 32.559 51.322 1.00 14.24 H new ATOM 0 HE22 GLN A 46 10.927 32.267 52.687 1.00 14.24 H new ATOM 365 N GLN A 47 7.973 38.099 49.226 1.00 12.30 N ATOM 366 CA GLN A 47 6.898 39.081 49.222 1.00 11.62 C ATOM 367 C GLN A 47 6.063 38.904 50.483 1.00 13.03 C ATOM 368 O GLN A 47 5.170 38.058 50.551 1.00 14.19 O ATOM 369 CB GLN A 47 6.035 38.924 47.962 1.00 9.85 C ATOM 370 CG GLN A 47 5.328 40.201 47.516 1.00 12.95 C ATOM 371 CD GLN A 47 4.119 40.524 48.362 1.00 18.42 C ATOM 372 OE1 GLN A 47 3.034 39.995 48.118 1.00 19.94 O ATOM 373 NE2 GLN A 47 4.291 41.385 49.363 1.00 15.59 N ATOM 0 H GLN A 47 7.809 37.397 48.756 1.00 12.30 H new ATOM 0 HA GLN A 47 7.271 39.976 49.212 1.00 11.62 H new ATOM 0 HB2 GLN A 47 6.596 38.608 47.237 1.00 9.85 H new ATOM 0 HB3 GLN A 47 5.368 38.238 48.124 1.00 9.85 H new ATOM 0 HG2 GLN A 47 5.952 40.942 47.555 1.00 12.95 H new ATOM 0 HG3 GLN A 47 5.055 40.108 46.590 1.00 12.95 H new ATOM 0 HE21 GLN A 47 5.065 41.734 49.502 1.00 15.59 H new ATOM 0 HE22 GLN A 47 3.628 41.592 49.871 1.00 15.59 H new ATOM 374 N ILE A 48 6.416 39.681 51.496 1.00 12.27 N ATOM 375 CA ILE A 48 5.734 39.664 52.776 1.00 11.76 C ATOM 376 C ILE A 48 5.372 41.099 53.135 1.00 15.46 C ATOM 377 O ILE A 48 6.188 42.016 52.976 1.00 15.44 O ATOM 378 CB ILE A 48 6.644 39.064 53.879 1.00 15.37 C ATOM 379 CG1 ILE A 48 7.000 37.610 53.527 1.00 14.45 C ATOM 380 CG2 ILE A 48 5.959 39.148 55.258 1.00 16.12 C ATOM 381 CD1 ILE A 48 7.998 36.954 54.484 1.00 19.15 C ATOM 0 H ILE A 48 7.068 40.240 51.457 1.00 12.27 H new ATOM 0 HA ILE A 48 4.938 39.113 52.713 1.00 11.76 H new ATOM 0 HB ILE A 48 7.464 39.581 53.926 1.00 15.37 H new ATOM 0 HG12 ILE A 48 6.186 37.083 53.515 1.00 14.45 H new ATOM 0 HG13 ILE A 48 7.366 37.586 52.629 1.00 14.45 H new ATOM 0 HG21 ILE A 48 6.543 38.768 55.933 1.00 16.12 H new ATOM 0 HG22 ILE A 48 5.777 40.076 55.473 1.00 16.12 H new ATOM 0 HG23 ILE A 48 5.126 38.652 55.236 1.00 16.12 H new ATOM 0 HD11 ILE A 48 8.171 36.044 54.197 1.00 19.15 H new ATOM 0 HD12 ILE A 48 8.828 37.457 54.481 1.00 19.15 H new ATOM 0 HD13 ILE A 48 7.629 36.945 55.381 1.00 19.15 H new ATOM 382 N GLN A 49 4.133 41.283 53.583 1.00 16.14 N ATOM 383 CA GLN A 49 3.612 42.583 53.999 1.00 18.88 C ATOM 384 C GLN A 49 4.245 42.997 55.334 1.00 16.77 C ATOM 385 O GLN A 49 4.066 42.334 56.353 1.00 16.00 O ATOM 386 CB GLN A 49 2.094 42.483 54.142 1.00 21.86 C ATOM 387 CG GLN A 49 1.383 43.776 54.494 1.00 34.69 C ATOM 388 CD GLN A 49 -0.130 43.613 54.473 1.00 42.01 C ATOM 389 OE1 GLN A 49 -0.727 43.320 53.424 1.00 43.27 O ATOM 390 NE2 GLN A 49 -0.758 43.780 55.634 1.00 41.30 N ATOM 0 H GLN A 49 3.561 40.645 53.655 1.00 16.14 H new ATOM 0 HA GLN A 49 3.832 43.254 53.334 1.00 18.88 H new ATOM 0 HB2 GLN A 49 1.728 42.148 53.309 1.00 21.86 H new ATOM 0 HB3 GLN A 49 1.892 41.825 54.826 1.00 21.86 H new ATOM 0 HG2 GLN A 49 1.664 44.071 55.374 1.00 34.69 H new ATOM 0 HG3 GLN A 49 1.642 44.469 53.867 1.00 34.69 H new ATOM 0 HE21 GLN A 49 -0.310 43.983 56.340 1.00 41.30 H new ATOM 0 HE22 GLN A 49 -1.612 43.685 55.679 1.00 41.30 H new ATOM 391 N VAL A 50 5.059 44.045 55.307 1.00 15.30 N ATOM 392 CA VAL A 50 5.709 44.526 56.522 1.00 16.37 C ATOM 393 C VAL A 50 5.416 46.010 56.671 1.00 18.04 C ATOM 394 O VAL A 50 5.025 46.664 55.706 1.00 16.50 O ATOM 395 CB VAL A 50 7.245 44.294 56.494 1.00 18.68 C ATOM 396 CG1 VAL A 50 7.555 42.809 56.528 1.00 19.50 C ATOM 397 CG2 VAL A 50 7.866 44.930 55.263 1.00 16.54 C ATOM 0 H VAL A 50 5.249 44.492 54.597 1.00 15.30 H new ATOM 0 HA VAL A 50 5.358 44.027 57.276 1.00 16.37 H new ATOM 0 HB VAL A 50 7.628 44.713 57.280 1.00 18.68 H new ATOM 0 HG11 VAL A 50 8.516 42.678 56.510 1.00 19.50 H new ATOM 0 HG12 VAL A 50 7.191 42.421 57.339 1.00 19.50 H new ATOM 0 HG13 VAL A 50 7.156 42.377 55.756 1.00 19.50 H new ATOM 0 HG21 VAL A 50 8.823 44.773 55.266 1.00 16.54 H new ATOM 0 HG22 VAL A 50 7.477 44.539 54.465 1.00 16.54 H new ATOM 0 HG23 VAL A 50 7.695 45.885 55.271 1.00 16.54 H new ATOM 398 N PRO A 51 5.549 46.553 57.891 1.00 18.12 N ATOM 399 CA PRO A 51 5.277 47.980 58.078 1.00 19.86 C ATOM 400 C PRO A 51 6.349 48.814 57.409 1.00 21.43 C ATOM 401 O PRO A 51 7.467 48.344 57.174 1.00 19.19 O ATOM 402 CB PRO A 51 5.325 48.138 59.598 1.00 24.01 C ATOM 403 CG PRO A 51 6.338 47.123 60.009 1.00 25.48 C ATOM 404 CD PRO A 51 5.949 45.926 59.163 1.00 18.27 C ATOM 0 HA PRO A 51 4.436 48.271 57.692 1.00 19.86 H new ATOM 0 HB2 PRO A 51 5.589 49.035 59.858 1.00 24.01 H new ATOM 0 HB3 PRO A 51 4.461 47.968 60.004 1.00 24.01 H new ATOM 0 HG2 PRO A 51 7.243 47.419 59.825 1.00 25.48 H new ATOM 0 HG3 PRO A 51 6.291 46.927 60.958 1.00 25.48 H new ATOM 0 HD2 PRO A 51 6.690 45.311 59.045 1.00 18.27 H new ATOM 0 HD3 PRO A 51 5.222 45.422 59.562 1.00 18.27 H new ATOM 405 N LEU A 52 5.983 50.029 57.038 1.00 19.15 N ATOM 406 CA LEU A 52 6.928 50.937 56.414 1.00 21.07 C ATOM 407 C LEU A 52 6.986 52.187 57.266 1.00 22.46 C ATOM 408 O LEU A 52 5.951 52.728 57.656 1.00 27.86 O ATOM 409 CB LEU A 52 6.492 51.308 54.996 1.00 21.76 C ATOM 410 CG LEU A 52 6.588 50.224 53.927 1.00 23.20 C ATOM 411 CD1 LEU A 52 6.029 50.752 52.617 1.00 25.70 C ATOM 412 CD2 LEU A 52 8.022 49.791 53.755 1.00 21.63 C ATOM 0 H LEU A 52 5.191 50.348 57.139 1.00 19.15 H new ATOM 0 HA LEU A 52 7.796 50.509 56.351 1.00 21.07 H new ATOM 0 HB2 LEU A 52 5.571 51.610 55.035 1.00 21.76 H new ATOM 0 HB3 LEU A 52 7.027 52.064 54.706 1.00 21.76 H new ATOM 0 HG LEU A 52 6.068 49.453 54.203 1.00 23.20 H new ATOM 0 HD11 LEU A 52 6.090 50.062 51.938 1.00 25.70 H new ATOM 0 HD12 LEU A 52 5.100 51.003 52.739 1.00 25.70 H new ATOM 0 HD13 LEU A 52 6.539 51.528 52.337 1.00 25.70 H new ATOM 0 HD21 LEU A 52 8.073 49.102 53.074 1.00 21.63 H new ATOM 0 HD22 LEU A 52 8.560 50.552 53.486 1.00 21.63 H new ATOM 0 HD23 LEU A 52 8.357 49.440 54.595 1.00 21.63 H new ATOM 413 N GLY A 53 8.200 52.592 57.613 1.00 19.61 N ATOM 414 CA GLY A 53 8.381 53.797 58.394 1.00 18.06 C ATOM 415 C GLY A 53 9.017 54.789 57.446 1.00 17.91 C ATOM 416 O GLY A 53 8.639 54.856 56.269 1.00 16.04 O ATOM 0 H GLY A 53 8.927 52.183 57.406 1.00 19.61 H new ATOM 0 HA2 GLY A 53 7.533 54.127 58.731 1.00 18.06 H new ATOM 0 HA3 GLY A 53 8.948 53.634 59.164 1.00 18.06 H new ATOM 417 N ASP A 54 10.014 55.521 57.931 1.00 17.80 N ATOM 418 CA ASP A 54 10.709 56.493 57.094 1.00 19.56 C ATOM 419 C ASP A 54 11.629 55.784 56.099 1.00 18.53 C ATOM 420 O ASP A 54 12.141 54.695 56.386 1.00 16.74 O ATOM 421 CB ASP A 54 11.568 57.423 57.957 1.00 20.87 C ATOM 422 CG ASP A 54 10.766 58.160 59.012 1.00 14.70 C ATOM 423 OD1 ASP A 54 9.532 58.257 58.883 1.00 23.14 O ATOM 424 OD2 ASP A 54 11.381 58.643 59.981 1.00 20.21 O ATOM 0 H ASP A 54 10.303 55.471 58.739 1.00 17.80 H new ATOM 0 HA ASP A 54 10.037 57.005 56.617 1.00 19.56 H new ATOM 0 HB2 ASP A 54 12.263 56.904 58.390 1.00 20.87 H new ATOM 0 HB3 ASP A 54 12.011 58.069 57.385 1.00 20.87 H new ATOM 425 N ALA A 55 11.813 56.387 54.926 1.00 15.45 N ATOM 426 CA ALA A 55 12.722 55.826 53.934 1.00 15.62 C ATOM 427 C ALA A 55 14.104 56.113 54.494 1.00 17.34 C ATOM 428 O ALA A 55 14.335 57.181 55.062 1.00 18.82 O ATOM 429 CB ALA A 55 12.547 56.516 52.607 1.00 12.76 C ATOM 0 H ALA A 55 11.424 57.116 54.688 1.00 15.45 H new ATOM 0 HA ALA A 55 12.566 54.881 53.780 1.00 15.62 H new ATOM 0 HB1 ALA A 55 13.158 56.132 51.959 1.00 12.76 H new ATOM 0 HB2 ALA A 55 11.635 56.399 52.299 1.00 12.76 H new ATOM 0 HB3 ALA A 55 12.735 57.462 52.707 1.00 12.76 H new ATOM 430 N ALA A 56 15.016 55.155 54.386 1.00 17.62 N ATOM 431 CA ALA A 56 16.360 55.370 54.910 1.00 18.22 C ATOM 432 C ALA A 56 17.145 56.353 54.038 1.00 18.86 C ATOM 433 O ALA A 56 16.866 56.487 52.847 1.00 15.46 O ATOM 434 CB ALA A 56 17.107 54.041 55.011 1.00 17.23 C ATOM 0 H ALA A 56 14.883 54.388 54.021 1.00 17.62 H new ATOM 0 HA ALA A 56 16.278 55.755 55.796 1.00 18.22 H new ATOM 0 HB1 ALA A 56 17.999 54.196 55.360 1.00 17.23 H new ATOM 0 HB2 ALA A 56 16.627 53.444 55.606 1.00 17.23 H new ATOM 0 HB3 ALA A 56 17.171 53.638 54.131 1.00 17.23 H new ATOM 435 N ARG A 57 18.103 57.057 54.642 1.00 21.08 N ATOM 436 CA ARG A 57 18.942 57.998 53.903 1.00 23.00 C ATOM 437 C ARG A 57 19.964 57.196 53.113 1.00 22.15 C ATOM 438 O ARG A 57 20.508 56.211 53.616 1.00 22.87 O ATOM 439 CB ARG A 57 19.699 58.929 54.848 1.00 24.04 C ATOM 440 CG ARG A 57 18.830 59.726 55.791 1.00 32.51 C ATOM 441 CD ARG A 57 17.841 60.612 55.062 1.00 34.98 C ATOM 442 NE ARG A 57 17.109 61.457 56.006 1.00 41.64 N ATOM 443 CZ ARG A 57 16.153 62.317 55.666 1.00 43.46 C ATOM 444 NH1 ARG A 57 15.797 62.454 54.392 1.00 42.40 N ATOM 445 NH2 ARG A 57 15.573 63.061 56.601 1.00 45.97 N ATOM 0 H ARG A 57 18.283 57.003 55.481 1.00 21.08 H new ATOM 0 HA ARG A 57 18.376 58.534 53.326 1.00 23.00 H new ATOM 0 HB2 ARG A 57 20.321 58.400 55.372 1.00 24.04 H new ATOM 0 HB3 ARG A 57 20.228 59.546 54.318 1.00 24.04 H new ATOM 0 HG2 ARG A 57 18.347 59.118 56.373 1.00 32.51 H new ATOM 0 HG3 ARG A 57 19.393 60.275 56.359 1.00 32.51 H new ATOM 0 HD2 ARG A 57 18.310 61.168 54.420 1.00 34.98 H new ATOM 0 HD3 ARG A 57 17.217 60.064 54.561 1.00 34.98 H new ATOM 0 HE ARG A 57 17.311 61.393 56.839 1.00 41.64 H new ATOM 0 HH11 ARG A 57 16.185 61.986 53.784 1.00 42.40 H new ATOM 0 HH12 ARG A 57 15.178 63.011 54.176 1.00 42.40 H new ATOM 0 HH21 ARG A 57 15.816 62.986 57.423 1.00 45.97 H new ATOM 0 HH22 ARG A 57 14.955 63.618 56.385 1.00 45.97 H new ATOM 446 N PRO A 58 20.232 57.602 51.860 1.00 21.73 N ATOM 447 CA PRO A 58 21.203 56.906 51.007 1.00 20.52 C ATOM 448 C PRO A 58 22.583 56.732 51.678 1.00 21.37 C ATOM 449 O PRO A 58 23.298 55.760 51.413 1.00 20.72 O ATOM 450 CB PRO A 58 21.269 57.812 49.773 1.00 22.99 C ATOM 451 CG PRO A 58 19.873 58.352 49.690 1.00 20.91 C ATOM 452 CD PRO A 58 19.573 58.698 51.122 1.00 22.61 C ATOM 0 HA PRO A 58 20.940 55.994 50.806 1.00 20.52 H new ATOM 0 HB2 PRO A 58 21.924 58.520 49.879 1.00 22.99 H new ATOM 0 HB3 PRO A 58 21.513 57.318 48.975 1.00 22.99 H new ATOM 0 HG2 PRO A 58 19.820 59.129 49.112 1.00 20.91 H new ATOM 0 HG3 PRO A 58 19.252 57.695 49.339 1.00 20.91 H new ATOM 0 HD2 PRO A 58 19.932 59.565 51.367 1.00 22.61 H new ATOM 0 HD3 PRO A 58 18.619 58.727 51.294 1.00 22.61 H new ATOM 453 N SER A 59 22.935 57.668 52.556 1.00 20.39 N ATOM 454 CA SER A 59 24.202 57.625 53.274 1.00 25.45 C ATOM 455 C SER A 59 24.346 56.333 54.078 1.00 29.06 C ATOM 456 O SER A 59 25.440 55.785 54.181 1.00 30.56 O ATOM 457 CB SER A 59 24.348 58.852 54.183 1.00 23.85 C ATOM 458 OG SER A 59 23.240 59.005 55.055 1.00 25.39 O ATOM 0 H SER A 59 22.444 58.346 52.751 1.00 20.39 H new ATOM 0 HA SER A 59 24.916 57.642 52.617 1.00 25.45 H new ATOM 0 HB2 SER A 59 25.161 58.771 54.706 1.00 23.85 H new ATOM 0 HB3 SER A 59 24.441 59.648 53.637 1.00 23.85 H new ATOM 0 HG SER A 59 23.354 59.683 55.537 1.00 25.39 H new ATOM 459 N HIS A 60 23.237 55.849 54.633 1.00 32.05 N ATOM 460 CA HIS A 60 23.228 54.605 55.405 1.00 34.52 C ATOM 461 C HIS A 60 23.243 53.391 54.487 1.00 34.25 C ATOM 462 O HIS A 60 23.776 52.339 54.839 1.00 37.45 O ATOM 463 CB HIS A 60 21.975 54.515 56.272 1.00 39.39 C ATOM 464 CG HIS A 60 22.088 55.229 57.581 1.00 50.07 C ATOM 465 ND1 HIS A 60 21.246 56.260 57.940 1.00 53.27 N ATOM 466 CD2 HIS A 60 22.919 55.035 58.633 1.00 53.22 C ATOM 467 CE1 HIS A 60 21.550 56.667 59.160 1.00 55.62 C ATOM 468 NE2 HIS A 60 22.561 55.941 59.602 1.00 56.55 N ATOM 0 H HIS A 60 22.469 56.231 54.573 1.00 32.05 H new ATOM 0 HA HIS A 60 24.023 54.612 55.961 1.00 34.52 H new ATOM 0 HB2 HIS A 60 21.224 54.881 55.778 1.00 39.39 H new ATOM 0 HB3 HIS A 60 21.776 53.581 56.440 1.00 39.39 H new ATOM 0 HD2 HIS A 60 23.603 54.407 58.689 1.00 53.22 H new ATOM 0 HE1 HIS A 60 21.124 57.349 59.628 1.00 55.62 H new ATOM 0 HE2 HIS A 60 22.935 56.022 60.372 1.00 56.55 H new ATOM 469 N LEU A 61 22.656 53.545 53.307 1.00 30.20 N ATOM 470 CA LEU A 61 22.568 52.455 52.349 1.00 30.63 C ATOM 471 C LEU A 61 23.822 52.203 51.502 1.00 32.64 C ATOM 472 O LEU A 61 23.948 51.146 50.885 1.00 32.33 O ATOM 473 CB LEU A 61 21.350 52.676 51.454 1.00 26.99 C ATOM 474 CG LEU A 61 20.038 52.901 52.208 1.00 27.97 C ATOM 475 CD1 LEU A 61 18.944 53.365 51.251 1.00 27.16 C ATOM 476 CD2 LEU A 61 19.624 51.627 52.929 1.00 24.67 C ATOM 0 H LEU A 61 22.299 54.281 53.041 1.00 30.20 H new ATOM 0 HA LEU A 61 22.479 51.647 52.879 1.00 30.63 H new ATOM 0 HB2 LEU A 61 21.517 53.443 50.884 1.00 26.99 H new ATOM 0 HB3 LEU A 61 21.247 51.907 50.872 1.00 26.99 H new ATOM 0 HG LEU A 61 20.173 53.598 52.869 1.00 27.97 H new ATOM 0 HD11 LEU A 61 18.120 53.503 51.744 1.00 27.16 H new ATOM 0 HD12 LEU A 61 19.213 54.197 50.831 1.00 27.16 H new ATOM 0 HD13 LEU A 61 18.803 52.690 50.569 1.00 27.16 H new ATOM 0 HD21 LEU A 61 18.792 51.779 53.404 1.00 24.67 H new ATOM 0 HD22 LEU A 61 19.501 50.914 52.282 1.00 24.67 H new ATOM 0 HD23 LEU A 61 20.315 51.374 53.561 1.00 24.67 H new ATOM 477 N LEU A 62 24.751 53.157 51.488 1.00 35.49 N ATOM 478 CA LEU A 62 25.981 53.029 50.699 1.00 37.77 C ATOM 479 C LEU A 62 26.823 51.806 51.061 1.00 36.44 C ATOM 480 O LEU A 62 27.501 51.233 50.210 1.00 36.53 O ATOM 481 CB LEU A 62 26.862 54.280 50.847 1.00 40.27 C ATOM 482 CG LEU A 62 26.436 55.666 50.344 1.00 42.29 C ATOM 483 CD1 LEU A 62 27.501 56.659 50.766 1.00 39.59 C ATOM 484 CD2 LEU A 62 26.260 55.696 48.833 1.00 40.03 C ATOM 0 H LEU A 62 24.689 53.892 51.931 1.00 35.49 H new ATOM 0 HA LEU A 62 25.681 52.923 49.783 1.00 37.77 H new ATOM 0 HB2 LEU A 62 27.047 54.376 51.794 1.00 40.27 H new ATOM 0 HB3 LEU A 62 27.705 54.076 50.412 1.00 40.27 H new ATOM 0 HG LEU A 62 25.575 55.893 50.729 1.00 42.29 H new ATOM 0 HD11 LEU A 62 27.256 57.546 50.460 1.00 39.59 H new ATOM 0 HD12 LEU A 62 27.577 56.661 51.733 1.00 39.59 H new ATOM 0 HD13 LEU A 62 28.352 56.406 50.376 1.00 39.59 H new ATOM 0 HD21 LEU A 62 25.992 56.586 48.556 1.00 40.03 H new ATOM 0 HD22 LEU A 62 27.099 55.464 48.405 1.00 40.03 H new ATOM 0 HD23 LEU A 62 25.577 55.057 48.574 1.00 40.03 H new ATOM 485 N THR A 63 26.773 51.413 52.324 1.00 34.57 N ATOM 486 CA THR A 63 27.560 50.286 52.807 1.00 35.29 C ATOM 487 C THR A 63 26.906 48.908 52.703 1.00 32.03 C ATOM 488 O THR A 63 27.582 47.888 52.865 1.00 31.17 O ATOM 489 CB THR A 63 27.969 50.516 54.267 1.00 37.75 C ATOM 490 OG1 THR A 63 26.792 50.671 55.079 1.00 39.81 O ATOM 491 CG2 THR A 63 28.842 51.767 54.375 1.00 40.91 C ATOM 0 H THR A 63 26.285 51.789 52.924 1.00 34.57 H new ATOM 0 HA THR A 63 28.322 50.262 52.207 1.00 35.29 H new ATOM 0 HB THR A 63 28.476 49.751 54.580 1.00 37.75 H new ATOM 0 HG1 THR A 63 27.017 50.795 55.879 1.00 39.81 H new ATOM 0 HG21 THR A 63 29.096 51.905 55.301 1.00 40.91 H new ATOM 0 HG22 THR A 63 29.639 51.653 53.835 1.00 40.91 H new ATOM 0 HG23 THR A 63 28.345 52.537 54.058 1.00 40.91 H new ATOM 492 N SER A 64 25.604 48.885 52.429 1.00 28.60 N ATOM 493 CA SER A 64 24.844 47.642 52.321 1.00 27.01 C ATOM 494 C SER A 64 25.332 46.690 51.233 1.00 25.06 C ATOM 495 O SER A 64 25.878 47.124 50.222 1.00 25.07 O ATOM 496 CB SER A 64 23.367 47.964 52.083 1.00 25.98 C ATOM 497 OG SER A 64 22.601 46.778 51.968 1.00 30.64 O ATOM 0 H SER A 64 25.134 49.594 52.300 1.00 28.60 H new ATOM 0 HA SER A 64 24.977 47.179 53.163 1.00 27.01 H new ATOM 0 HB2 SER A 64 23.028 48.502 52.815 1.00 25.98 H new ATOM 0 HB3 SER A 64 23.274 48.493 51.275 1.00 25.98 H new ATOM 0 HG SER A 64 21.890 46.860 52.407 1.00 30.64 H new ATOM 498 N GLN A 65 25.130 45.392 51.447 1.00 20.79 N ATOM 499 CA GLN A 65 25.515 44.375 50.460 1.00 20.97 C ATOM 500 C GLN A 65 24.467 44.286 49.334 1.00 17.84 C ATOM 501 O GLN A 65 24.751 43.814 48.230 1.00 18.22 O ATOM 502 CB GLN A 65 25.677 43.007 51.133 1.00 20.52 C ATOM 503 CG GLN A 65 26.826 42.940 52.130 1.00 20.61 C ATOM 504 CD GLN A 65 26.974 41.562 52.736 1.00 24.18 C ATOM 505 OE1 GLN A 65 26.248 41.201 53.656 1.00 27.16 O ATOM 506 NE2 GLN A 65 27.902 40.777 52.210 1.00 22.39 N ATOM 0 H GLN A 65 24.770 45.075 52.160 1.00 20.79 H new ATOM 0 HA GLN A 65 26.365 44.637 50.074 1.00 20.97 H new ATOM 0 HB2 GLN A 65 24.851 42.781 51.589 1.00 20.52 H new ATOM 0 HB3 GLN A 65 25.815 42.334 50.448 1.00 20.52 H new ATOM 0 HG2 GLN A 65 27.652 43.187 51.686 1.00 20.61 H new ATOM 0 HG3 GLN A 65 26.678 43.588 52.836 1.00 20.61 H new ATOM 0 HE21 GLN A 65 28.393 41.064 51.565 1.00 22.39 H new ATOM 0 HE22 GLN A 65 28.013 39.980 52.513 1.00 22.39 H new ATOM 507 N LEU A 66 23.253 44.724 49.645 1.00 16.91 N ATOM 508 CA LEU A 66 22.130 44.737 48.707 1.00 17.29 C ATOM 509 C LEU A 66 22.064 46.105 48.015 1.00 15.83 C ATOM 510 O LEU A 66 22.441 47.130 48.600 1.00 14.50 O ATOM 511 CB LEU A 66 20.820 44.452 49.456 1.00 19.92 C ATOM 512 CG LEU A 66 20.328 43.007 49.592 1.00 21.14 C ATOM 513 CD1 LEU A 66 21.390 42.007 49.168 1.00 21.08 C ATOM 514 CD2 LEU A 66 19.859 42.758 51.017 1.00 20.36 C ATOM 0 H LEU A 66 23.052 45.029 50.423 1.00 16.91 H new ATOM 0 HA LEU A 66 22.257 44.048 48.037 1.00 17.29 H new ATOM 0 HB2 LEU A 66 20.913 44.813 50.352 1.00 19.92 H new ATOM 0 HB3 LEU A 66 20.118 44.958 49.017 1.00 19.92 H new ATOM 0 HG LEU A 66 19.577 42.879 48.991 1.00 21.14 H new ATOM 0 HD11 LEU A 66 21.044 41.106 49.267 1.00 21.08 H new ATOM 0 HD12 LEU A 66 21.628 42.161 48.240 1.00 21.08 H new ATOM 0 HD13 LEU A 66 22.177 42.114 49.725 1.00 21.08 H new ATOM 0 HD21 LEU A 66 19.548 41.843 51.100 1.00 20.36 H new ATOM 0 HD22 LEU A 66 20.595 42.906 51.631 1.00 20.36 H new ATOM 0 HD23 LEU A 66 19.134 43.366 51.230 1.00 20.36 H new ATOM 515 N PRO A 67 21.540 46.143 46.781 1.00 14.35 N ATOM 516 CA PRO A 67 21.435 47.390 46.018 1.00 14.67 C ATOM 517 C PRO A 67 20.246 48.281 46.335 1.00 14.26 C ATOM 518 O PRO A 67 19.308 47.880 47.030 1.00 13.77 O ATOM 519 CB PRO A 67 21.381 46.889 44.578 1.00 12.70 C ATOM 520 CG PRO A 67 20.557 45.647 44.709 1.00 16.82 C ATOM 521 CD PRO A 67 21.094 44.991 45.974 1.00 14.43 C ATOM 0 HA PRO A 67 22.176 47.978 46.231 1.00 14.67 H new ATOM 0 HB2 PRO A 67 20.970 47.536 43.984 1.00 12.70 H new ATOM 0 HB3 PRO A 67 22.265 46.702 44.226 1.00 12.70 H new ATOM 0 HG2 PRO A 67 19.612 45.853 44.787 1.00 16.82 H new ATOM 0 HG3 PRO A 67 20.658 45.069 43.937 1.00 16.82 H new ATOM 0 HD2 PRO A 67 20.410 44.476 46.430 1.00 14.43 H new ATOM 0 HD3 PRO A 67 21.825 44.383 45.781 1.00 14.43 H new ATOM 522 N LEU A 68 20.311 49.507 45.820 1.00 13.52 N ATOM 523 CA LEU A 68 19.244 50.487 45.992 1.00 13.91 C ATOM 524 C LEU A 68 18.056 50.078 45.127 1.00 12.87 C ATOM 525 O LEU A 68 16.908 50.374 45.456 1.00 11.98 O ATOM 526 CB LEU A 68 19.706 51.881 45.554 1.00 12.66 C ATOM 527 CG LEU A 68 20.839 52.587 46.293 1.00 17.85 C ATOM 528 CD1 LEU A 68 21.091 53.928 45.628 1.00 17.81 C ATOM 529 CD2 LEU A 68 20.488 52.786 47.751 1.00 18.03 C ATOM 0 H LEU A 68 20.978 49.794 45.359 1.00 13.52 H new ATOM 0 HA LEU A 68 18.999 50.516 46.930 1.00 13.91 H new ATOM 0 HB2 LEU A 68 19.968 51.817 44.622 1.00 12.66 H new ATOM 0 HB3 LEU A 68 18.932 52.464 45.591 1.00 12.66 H new ATOM 0 HG LEU A 68 21.639 52.040 46.252 1.00 17.85 H new ATOM 0 HD11 LEU A 68 21.810 54.388 46.089 1.00 17.81 H new ATOM 0 HD12 LEU A 68 21.339 53.788 44.701 1.00 17.81 H new ATOM 0 HD13 LEU A 68 20.285 54.466 45.669 1.00 17.81 H new ATOM 0 HD21 LEU A 68 21.220 53.235 48.202 1.00 18.03 H new ATOM 0 HD22 LEU A 68 19.686 53.327 47.820 1.00 18.03 H new ATOM 0 HD23 LEU A 68 20.333 51.924 48.167 1.00 18.03 H new ATOM 530 N MET A 69 18.335 49.396 44.022 1.00 11.64 N ATOM 531 CA MET A 69 17.273 48.972 43.126 1.00 16.65 C ATOM 532 C MET A 69 17.660 47.825 42.209 1.00 16.10 C ATOM 533 O MET A 69 18.827 47.655 41.858 1.00 15.01 O ATOM 534 CB MET A 69 16.830 50.141 42.254 1.00 20.53 C ATOM 535 CG MET A 69 17.926 50.645 41.336 1.00 29.19 C ATOM 536 SD MET A 69 17.354 50.897 39.654 1.00 46.93 S ATOM 537 CE MET A 69 17.759 49.335 38.933 1.00 38.88 C ATOM 0 H MET A 69 19.128 49.171 43.776 1.00 11.64 H new ATOM 0 HA MET A 69 16.557 48.660 43.702 1.00 16.65 H new ATOM 0 HB2 MET A 69 16.068 49.869 41.720 1.00 20.53 H new ATOM 0 HB3 MET A 69 16.532 50.868 42.823 1.00 20.53 H new ATOM 0 HG2 MET A 69 18.276 51.480 41.684 1.00 29.19 H new ATOM 0 HG3 MET A 69 18.659 50.010 41.333 1.00 29.19 H new ATOM 0 HE1 MET A 69 17.753 49.413 37.966 1.00 38.88 H new ATOM 0 HE2 MET A 69 18.641 49.061 39.229 1.00 38.88 H new ATOM 0 HE3 MET A 69 17.106 48.673 39.207 1.00 38.88 H new ATOM 538 N TRP A 70 16.645 47.067 41.805 1.00 13.15 N ATOM 539 CA TRP A 70 16.792 45.946 40.886 1.00 10.26 C ATOM 540 C TRP A 70 15.776 46.214 39.790 1.00 10.68 C ATOM 541 O TRP A 70 14.647 46.593 40.084 1.00 12.34 O ATOM 542 CB TRP A 70 16.435 44.623 41.568 1.00 12.59 C ATOM 543 CG TRP A 70 17.559 43.937 42.265 1.00 10.88 C ATOM 544 CD1 TRP A 70 18.712 43.479 41.705 1.00 8.84 C ATOM 545 CD2 TRP A 70 17.578 43.509 43.632 1.00 8.55 C ATOM 546 NE1 TRP A 70 19.441 42.777 42.636 1.00 7.96 N ATOM 547 CE2 TRP A 70 18.767 42.778 43.826 1.00 9.30 C ATOM 548 CE3 TRP A 70 16.696 43.666 44.712 1.00 6.59 C ATOM 549 CZ2 TRP A 70 19.102 42.199 45.059 1.00 9.37 C ATOM 550 CZ3 TRP A 70 17.027 43.094 45.939 1.00 10.38 C ATOM 551 CH2 TRP A 70 18.225 42.366 46.100 1.00 9.72 C ATOM 0 H TRP A 70 15.835 47.194 42.064 1.00 13.15 H new ATOM 0 HA TRP A 70 17.704 45.872 40.564 1.00 10.26 H new ATOM 0 HB2 TRP A 70 15.729 44.789 42.212 1.00 12.59 H new ATOM 0 HB3 TRP A 70 16.073 44.020 40.900 1.00 12.59 H new ATOM 0 HD1 TRP A 70 18.969 43.620 40.822 1.00 8.84 H new ATOM 0 HE1 TRP A 70 20.200 42.398 42.493 1.00 7.96 H new ATOM 0 HE3 TRP A 70 15.904 44.143 44.611 1.00 6.59 H new ATOM 0 HZ2 TRP A 70 19.891 41.719 45.167 1.00 9.37 H new ATOM 0 HZ3 TRP A 70 16.450 43.193 46.662 1.00 10.38 H new ATOM 0 HH2 TRP A 70 18.424 41.992 46.928 1.00 9.72 H new ATOM 552 N GLN A 71 16.174 46.013 38.541 1.00 11.12 N ATOM 553 CA GLN A 71 15.301 46.222 37.396 1.00 10.97 C ATOM 554 C GLN A 71 15.336 44.944 36.568 1.00 12.14 C ATOM 555 O GLN A 71 16.413 44.460 36.228 1.00 13.62 O ATOM 556 CB GLN A 71 15.830 47.397 36.577 1.00 19.11 C ATOM 557 CG GLN A 71 14.997 47.784 35.375 1.00 21.02 C ATOM 558 CD GLN A 71 15.593 48.978 34.637 1.00 27.76 C ATOM 559 OE1 GLN A 71 16.383 48.820 33.703 1.00 29.53 O ATOM 560 NE2 GLN A 71 15.234 50.181 35.072 1.00 28.11 N ATOM 0 H GLN A 71 16.966 45.749 38.333 1.00 11.12 H new ATOM 0 HA GLN A 71 14.392 46.422 37.671 1.00 10.97 H new ATOM 0 HB2 GLN A 71 15.906 48.169 37.160 1.00 19.11 H new ATOM 0 HB3 GLN A 71 16.726 47.182 36.274 1.00 19.11 H new ATOM 0 HG2 GLN A 71 14.931 47.029 34.770 1.00 21.02 H new ATOM 0 HG3 GLN A 71 14.095 47.997 35.661 1.00 21.02 H new ATOM 0 HE21 GLN A 71 14.680 50.254 35.726 1.00 28.11 H new ATOM 0 HE22 GLN A 71 15.555 50.886 34.699 1.00 28.11 H new ATOM 561 N LEU A 72 14.166 44.383 36.263 1.00 14.29 N ATOM 562 CA LEU A 72 14.100 43.156 35.471 1.00 16.97 C ATOM 563 C LEU A 72 14.845 43.327 34.141 1.00 20.03 C ATOM 564 O LEU A 72 14.626 44.284 33.392 1.00 19.06 O ATOM 565 CB LEU A 72 12.646 42.729 35.264 1.00 18.95 C ATOM 566 CG LEU A 72 12.350 41.309 34.775 1.00 20.18 C ATOM 567 CD1 LEU A 72 13.084 40.265 35.619 1.00 20.20 C ATOM 568 CD2 LEU A 72 10.837 41.075 34.822 1.00 21.11 C ATOM 0 H LEU A 72 13.402 44.696 36.504 1.00 14.29 H new ATOM 0 HA LEU A 72 14.544 42.445 35.959 1.00 16.97 H new ATOM 0 HB2 LEU A 72 12.183 42.850 36.107 1.00 18.95 H new ATOM 0 HB3 LEU A 72 12.247 43.346 34.630 1.00 18.95 H new ATOM 0 HG LEU A 72 12.668 41.215 33.863 1.00 20.18 H new ATOM 0 HD11 LEU A 72 12.878 39.377 35.287 1.00 20.20 H new ATOM 0 HD12 LEU A 72 14.040 40.417 35.562 1.00 20.20 H new ATOM 0 HD13 LEU A 72 12.800 40.338 36.543 1.00 20.20 H new ATOM 0 HD21 LEU A 72 10.639 40.177 34.514 1.00 21.11 H new ATOM 0 HD22 LEU A 72 10.521 41.181 35.733 1.00 21.11 H new ATOM 0 HD23 LEU A 72 10.392 41.719 34.249 1.00 21.11 H new ATOM 569 N TYR A 73 15.745 42.386 33.880 1.00 22.95 N ATOM 570 CA TYR A 73 16.596 42.389 32.699 1.00 24.81 C ATOM 571 C TYR A 73 16.362 41.085 31.914 1.00 27.98 C ATOM 572 O TYR A 73 15.983 40.076 32.504 1.00 27.51 O ATOM 573 CB TYR A 73 18.043 42.478 33.193 1.00 24.82 C ATOM 574 CG TYR A 73 19.042 42.916 32.167 1.00 28.69 C ATOM 575 CD1 TYR A 73 19.069 44.230 31.709 1.00 29.31 C ATOM 576 CD2 TYR A 73 19.947 42.008 31.630 1.00 29.76 C ATOM 577 CE1 TYR A 73 19.972 44.625 30.731 1.00 32.02 C ATOM 578 CE2 TYR A 73 20.850 42.389 30.658 1.00 32.56 C ATOM 579 CZ TYR A 73 20.859 43.696 30.209 1.00 31.82 C ATOM 580 OH TYR A 73 21.752 44.053 29.225 1.00 36.68 O ATOM 0 H TYR A 73 15.880 41.713 34.397 1.00 22.95 H new ATOM 0 HA TYR A 73 16.400 43.135 32.110 1.00 24.81 H new ATOM 0 HB2 TYR A 73 18.077 43.095 33.941 1.00 24.82 H new ATOM 0 HB3 TYR A 73 18.308 41.608 33.531 1.00 24.82 H new ATOM 0 HD1 TYR A 73 18.474 44.852 32.063 1.00 29.31 H new ATOM 0 HD2 TYR A 73 19.944 41.128 31.931 1.00 29.76 H new ATOM 0 HE1 TYR A 73 19.982 45.505 30.429 1.00 32.02 H new ATOM 0 HE2 TYR A 73 21.449 41.770 30.307 1.00 32.56 H new ATOM 0 HH TYR A 73 22.219 43.387 29.015 1.00 36.68 H new ATOM 581 N PRO A 74 16.575 41.091 30.576 1.00 32.74 N ATOM 582 CA PRO A 74 16.377 39.890 29.742 1.00 31.54 C ATOM 583 C PRO A 74 17.170 38.682 30.227 1.00 31.66 C ATOM 584 O PRO A 74 18.256 38.835 30.790 1.00 33.95 O ATOM 585 CB PRO A 74 16.889 40.336 28.369 1.00 33.02 C ATOM 586 CG PRO A 74 16.586 41.790 28.349 1.00 36.16 C ATOM 587 CD PRO A 74 16.999 42.231 29.738 1.00 32.78 C ATOM 0 HA PRO A 74 15.452 39.598 29.754 1.00 31.54 H new ATOM 0 HB2 PRO A 74 17.839 40.167 28.269 1.00 33.02 H new ATOM 0 HB3 PRO A 74 16.439 39.866 27.649 1.00 33.02 H new ATOM 0 HG2 PRO A 74 17.086 42.254 27.659 1.00 36.16 H new ATOM 0 HG3 PRO A 74 15.646 41.961 28.181 1.00 36.16 H new ATOM 0 HD2 PRO A 74 17.954 42.387 29.798 1.00 32.78 H new ATOM 0 HD3 PRO A 74 16.560 43.055 30.001 1.00 32.78 H new ATOM 588 N GLU A 75 16.627 37.489 29.985 1.00 30.64 N ATOM 589 CA GLU A 75 17.267 36.230 30.374 1.00 31.65 C ATOM 590 C GLU A 75 17.123 35.937 31.869 1.00 28.27 C ATOM 591 O GLU A 75 18.040 35.413 32.506 1.00 29.39 O ATOM 592 CB GLU A 75 18.755 36.226 29.985 1.00 37.57 C ATOM 593 CG GLU A 75 19.041 36.580 28.533 1.00 43.26 C ATOM 594 CD GLU A 75 18.389 35.620 27.568 1.00 50.20 C ATOM 595 OE1 GLU A 75 18.661 34.406 27.665 1.00 53.62 O ATOM 596 OE2 GLU A 75 17.600 36.075 26.714 1.00 54.09 O ATOM 0 H GLU A 75 15.871 37.386 29.588 1.00 30.64 H new ATOM 0 HA GLU A 75 16.806 35.527 29.890 1.00 31.65 H new ATOM 0 HB2 GLU A 75 19.226 36.853 30.556 1.00 37.57 H new ATOM 0 HB3 GLU A 75 19.121 35.346 30.167 1.00 37.57 H new ATOM 0 HG2 GLU A 75 18.725 37.479 28.354 1.00 43.26 H new ATOM 0 HG3 GLU A 75 20.000 36.581 28.386 1.00 43.26 H new ATOM 597 N GLU A 76 15.962 36.274 32.420 1.00 24.07 N ATOM 598 CA GLU A 76 15.662 36.051 33.826 1.00 24.29 C ATOM 599 C GLU A 76 16.752 36.433 34.804 1.00 20.63 C ATOM 600 O GLU A 76 17.379 35.592 35.444 1.00 18.08 O ATOM 601 CB GLU A 76 15.188 34.617 34.064 1.00 32.67 C ATOM 602 CG GLU A 76 13.797 34.360 33.492 1.00 44.16 C ATOM 603 CD GLU A 76 12.806 35.480 33.831 1.00 51.92 C ATOM 604 OE1 GLU A 76 12.156 35.403 34.900 1.00 56.04 O ATOM 605 OE2 GLU A 76 12.683 36.442 33.032 1.00 52.76 O ATOM 0 H GLU A 76 15.320 36.643 31.982 1.00 24.07 H new ATOM 0 HA GLU A 76 14.942 36.672 34.018 1.00 24.29 H new ATOM 0 HB2 GLU A 76 15.819 34.000 33.662 1.00 32.67 H new ATOM 0 HB3 GLU A 76 15.181 34.435 35.017 1.00 32.67 H new ATOM 0 HG2 GLU A 76 13.859 34.268 32.528 1.00 44.16 H new ATOM 0 HG3 GLU A 76 13.459 33.518 33.836 1.00 44.16 H new ATOM 606 N ARG A 77 16.972 37.729 34.901 1.00 18.61 N ATOM 607 CA ARG A 77 17.950 38.278 35.813 1.00 17.16 C ATOM 608 C ARG A 77 17.631 39.742 36.036 1.00 15.52 C ATOM 609 O ARG A 77 16.783 40.308 35.347 1.00 18.04 O ATOM 610 CB ARG A 77 19.376 38.070 35.291 1.00 17.74 C ATOM 611 CG ARG A 77 19.594 38.482 33.882 1.00 24.36 C ATOM 612 CD ARG A 77 20.725 37.675 33.271 1.00 29.77 C ATOM 613 NE ARG A 77 21.072 38.219 31.964 1.00 36.45 N ATOM 614 CZ ARG A 77 22.233 38.023 31.351 1.00 41.91 C ATOM 615 NH1 ARG A 77 23.176 37.276 31.920 1.00 41.81 N ATOM 616 NH2 ARG A 77 22.475 38.638 30.201 1.00 42.87 N ATOM 0 H ARG A 77 16.555 38.320 34.436 1.00 18.61 H new ATOM 0 HA ARG A 77 17.905 37.813 36.663 1.00 17.16 H new ATOM 0 HB2 ARG A 77 19.989 38.565 35.857 1.00 17.74 H new ATOM 0 HB3 ARG A 77 19.604 37.131 35.378 1.00 17.74 H new ATOM 0 HG2 ARG A 77 18.781 38.351 33.370 1.00 24.36 H new ATOM 0 HG3 ARG A 77 19.805 39.428 33.843 1.00 24.36 H new ATOM 0 HD2 ARG A 77 21.499 37.695 33.855 1.00 29.77 H new ATOM 0 HD3 ARG A 77 20.460 36.746 33.184 1.00 29.77 H new ATOM 0 HE ARG A 77 20.484 38.700 31.562 1.00 36.45 H new ATOM 0 HH11 ARG A 77 23.035 36.917 32.689 1.00 41.81 H new ATOM 0 HH12 ARG A 77 23.927 37.152 31.519 1.00 41.81 H new ATOM 0 HH21 ARG A 77 21.882 39.159 29.859 1.00 42.87 H new ATOM 0 HH22 ARG A 77 23.225 38.516 29.798 1.00 42.87 H new ATOM 617 N TYR A 78 18.234 40.318 37.069 1.00 14.26 N ATOM 618 CA TYR A 78 18.013 41.716 37.409 1.00 12.21 C ATOM 619 C TYR A 78 19.294 42.511 37.311 1.00 12.38 C ATOM 620 O TYR A 78 20.374 42.003 37.613 1.00 13.31 O ATOM 621 CB TYR A 78 17.502 41.844 38.841 1.00 11.37 C ATOM 622 CG TYR A 78 16.055 41.478 39.041 1.00 13.61 C ATOM 623 CD1 TYR A 78 15.052 42.438 38.917 1.00 11.56 C ATOM 624 CD2 TYR A 78 15.688 40.179 39.378 1.00 10.08 C ATOM 625 CE1 TYR A 78 13.717 42.113 39.124 1.00 13.82 C ATOM 626 CE2 TYR A 78 14.362 39.845 39.587 1.00 13.45 C ATOM 627 CZ TYR A 78 13.380 40.812 39.458 1.00 16.37 C ATOM 628 OH TYR A 78 12.061 40.470 39.649 1.00 15.20 O ATOM 0 H TYR A 78 18.782 39.910 37.591 1.00 14.26 H new ATOM 0 HA TYR A 78 17.360 42.060 36.780 1.00 12.21 H new ATOM 0 HB2 TYR A 78 18.045 41.281 39.414 1.00 11.37 H new ATOM 0 HB3 TYR A 78 17.633 42.759 39.135 1.00 11.37 H new ATOM 0 HD1 TYR A 78 15.280 43.311 38.692 1.00 11.56 H new ATOM 0 HD2 TYR A 78 16.344 39.525 39.464 1.00 10.08 H new ATOM 0 HE1 TYR A 78 13.057 42.762 39.039 1.00 13.82 H new ATOM 0 HE2 TYR A 78 14.131 38.973 39.814 1.00 13.45 H new ATOM 0 HH TYR A 78 11.567 41.048 39.293 1.00 15.20 H new ATOM 629 N MET A 79 19.174 43.752 36.857 1.00 12.71 N ATOM 630 CA MET A 79 20.323 44.633 36.799 1.00 13.56 C ATOM 631 C MET A 79 20.093 45.642 37.920 1.00 12.04 C ATOM 632 O MET A 79 19.008 46.210 38.020 1.00 14.41 O ATOM 633 CB MET A 79 20.427 45.361 35.456 1.00 11.12 C ATOM 634 CG MET A 79 21.640 46.295 35.409 1.00 14.73 C ATOM 635 SD MET A 79 21.887 47.165 33.869 1.00 19.00 S ATOM 636 CE MET A 79 22.924 46.026 33.010 1.00 15.38 C ATOM 0 H MET A 79 18.438 44.099 36.579 1.00 12.71 H new ATOM 0 HA MET A 79 21.149 44.134 36.896 1.00 13.56 H new ATOM 0 HB2 MET A 79 20.491 44.710 34.739 1.00 11.12 H new ATOM 0 HB3 MET A 79 19.618 45.873 35.302 1.00 11.12 H new ATOM 0 HG2 MET A 79 21.552 46.949 36.120 1.00 14.73 H new ATOM 0 HG3 MET A 79 22.436 45.774 35.599 1.00 14.73 H new ATOM 0 HE1 MET A 79 23.319 46.465 32.240 1.00 15.38 H new ATOM 0 HE2 MET A 79 23.628 45.718 33.603 1.00 15.38 H new ATOM 0 HE3 MET A 79 22.397 45.268 32.714 1.00 15.38 H new ATOM 637 N ASP A 80 21.082 45.816 38.793 1.00 10.24 N ATOM 638 CA ASP A 80 20.959 46.760 39.892 1.00 10.68 C ATOM 639 C ASP A 80 21.429 48.162 39.503 1.00 13.19 C ATOM 640 O ASP A 80 21.760 48.416 38.338 1.00 16.65 O ATOM 641 CB ASP A 80 21.680 46.255 41.153 1.00 11.02 C ATOM 642 CG ASP A 80 23.199 46.088 40.978 1.00 13.93 C ATOM 643 OD1 ASP A 80 23.816 46.744 40.114 1.00 13.00 O ATOM 644 OD2 ASP A 80 23.790 45.297 41.751 1.00 15.93 O ATOM 0 H ASP A 80 21.832 45.396 38.764 1.00 10.24 H new ATOM 0 HA ASP A 80 20.014 46.827 40.101 1.00 10.68 H new ATOM 0 HB2 ASP A 80 21.513 46.875 41.880 1.00 11.02 H new ATOM 0 HB3 ASP A 80 21.298 45.402 41.414 1.00 11.02 H new ATOM 645 N ASN A 81 21.484 49.057 40.483 1.00 16.40 N ATOM 646 CA ASN A 81 21.905 50.434 40.246 1.00 18.10 C ATOM 647 C ASN A 81 23.389 50.603 39.909 1.00 16.47 C ATOM 648 O ASN A 81 23.788 51.644 39.391 1.00 17.21 O ATOM 649 CB ASN A 81 21.526 51.305 41.435 1.00 13.98 C ATOM 650 CG ASN A 81 21.991 50.723 42.724 1.00 14.03 C ATOM 651 OD1 ASN A 81 21.436 49.738 43.206 1.00 13.53 O ATOM 652 ND2 ASN A 81 23.053 51.290 43.274 1.00 16.16 N ATOM 0 H ASN A 81 21.280 48.885 41.300 1.00 16.40 H new ATOM 0 HA ASN A 81 21.430 50.721 39.450 1.00 18.10 H new ATOM 0 HB2 ASN A 81 21.910 52.189 41.323 1.00 13.98 H new ATOM 0 HB3 ASN A 81 20.563 51.415 41.460 1.00 13.98 H new ATOM 0 HD21 ASN A 81 23.384 50.970 44.000 1.00 16.16 H new ATOM 0 HD22 ASN A 81 23.412 51.979 42.905 1.00 16.16 H new ATOM 653 N ASN A 82 24.194 49.578 40.180 1.00 17.77 N ATOM 654 CA ASN A 82 25.628 49.607 39.870 1.00 16.10 C ATOM 655 C ASN A 82 25.939 48.889 38.549 1.00 16.16 C ATOM 656 O ASN A 82 27.103 48.668 38.224 1.00 19.80 O ATOM 657 CB ASN A 82 26.429 48.935 40.984 1.00 18.78 C ATOM 658 CG ASN A 82 26.283 49.633 42.310 1.00 22.33 C ATOM 659 OD1 ASN A 82 26.255 50.954 42.277 1.00 23.21 O flip ATOM 660 ND2 ASN A 82 26.200 48.993 43.358 1.00 27.16 N flip ATOM 0 H ASN A 82 23.928 48.847 40.547 1.00 17.77 H new ATOM 0 HA ASN A 82 25.880 50.540 39.789 1.00 16.10 H new ATOM 0 HB2 ASN A 82 26.139 48.014 41.075 1.00 18.78 H new ATOM 0 HB3 ASN A 82 27.366 48.914 40.735 1.00 18.78 H new ATOM 0 HD21 ASN A 82 26.222 48.133 43.340 1.00 27.16 H new ATOM 0 HD22 ASN A 82 26.120 49.405 44.108 1.00 27.16 H new ATOM 661 N SER A 83 24.894 48.509 37.814 1.00 17.04 N ATOM 662 CA SER A 83 25.002 47.789 36.536 1.00 17.78 C ATOM 663 C SER A 83 25.355 46.311 36.666 1.00 17.32 C ATOM 664 O SER A 83 25.639 45.654 35.662 1.00 21.76 O ATOM 665 CB SER A 83 25.990 48.457 35.570 1.00 18.73 C ATOM 666 OG SER A 83 25.409 49.585 34.952 1.00 31.03 O ATOM 0 H SER A 83 24.081 48.665 38.048 1.00 17.04 H new ATOM 0 HA SER A 83 24.104 47.839 36.172 1.00 17.78 H new ATOM 0 HB2 SER A 83 26.789 48.723 36.052 1.00 18.73 H new ATOM 0 HB3 SER A 83 26.267 47.820 34.893 1.00 18.73 H new ATOM 0 HG SER A 83 25.965 49.936 34.430 1.00 31.03 H new ATOM 667 N ARG A 84 25.345 45.789 37.889 1.00 16.34 N ATOM 668 CA ARG A 84 25.653 44.383 38.109 1.00 15.27 C ATOM 669 C ARG A 84 24.418 43.542 37.833 1.00 14.93 C ATOM 670 O ARG A 84 23.296 44.020 37.982 1.00 12.68 O ATOM 671 CB ARG A 84 26.122 44.164 39.535 1.00 17.72 C ATOM 672 CG ARG A 84 27.335 44.970 39.878 1.00 25.25 C ATOM 673 CD ARG A 84 27.646 44.857 41.347 1.00 34.69 C ATOM 674 NE ARG A 84 28.765 45.714 41.732 1.00 42.42 N ATOM 675 CZ ARG A 84 28.833 46.373 42.884 1.00 45.31 C ATOM 676 NH1 ARG A 84 27.842 46.273 43.764 1.00 47.22 N ATOM 677 NH2 ARG A 84 29.890 47.130 43.156 1.00 47.36 N ATOM 0 H ARG A 84 25.163 46.233 38.603 1.00 16.34 H new ATOM 0 HA ARG A 84 26.364 44.117 37.505 1.00 15.27 H new ATOM 0 HB2 ARG A 84 25.404 44.393 40.146 1.00 17.72 H new ATOM 0 HB3 ARG A 84 26.317 43.223 39.666 1.00 17.72 H new ATOM 0 HG2 ARG A 84 28.093 44.662 39.357 1.00 25.25 H new ATOM 0 HG3 ARG A 84 27.189 45.900 39.643 1.00 25.25 H new ATOM 0 HD2 ARG A 84 26.861 45.098 41.863 1.00 34.69 H new ATOM 0 HD3 ARG A 84 27.855 43.935 41.563 1.00 34.69 H new ATOM 0 HE ARG A 84 29.419 45.797 41.180 1.00 42.42 H new ATOM 0 HH11 ARG A 84 27.158 45.782 43.588 1.00 47.22 H new ATOM 0 HH12 ARG A 84 27.885 46.699 44.510 1.00 47.22 H new ATOM 0 HH21 ARG A 84 30.531 47.194 42.586 1.00 47.36 H new ATOM 0 HH22 ARG A 84 29.933 47.556 43.902 1.00 47.36 H new ATOM 678 N LEU A 85 24.636 42.297 37.416 1.00 14.33 N ATOM 679 CA LEU A 85 23.558 41.366 37.100 1.00 17.03 C ATOM 680 C LEU A 85 23.364 40.325 38.182 1.00 15.42 C ATOM 681 O LEU A 85 24.326 39.823 38.760 1.00 15.71 O ATOM 682 CB LEU A 85 23.819 40.668 35.765 1.00 20.80 C ATOM 683 CG LEU A 85 23.215 41.272 34.496 1.00 24.06 C ATOM 684 CD1 LEU A 85 23.410 42.767 34.468 1.00 25.84 C ATOM 685 CD2 LEU A 85 23.847 40.627 33.280 1.00 31.93 C ATOM 0 H LEU A 85 25.423 41.967 37.308 1.00 14.33 H new ATOM 0 HA LEU A 85 22.745 41.892 37.040 1.00 17.03 H new ATOM 0 HB2 LEU A 85 24.780 40.619 35.640 1.00 20.80 H new ATOM 0 HB3 LEU A 85 23.496 39.756 35.841 1.00 20.80 H new ATOM 0 HG LEU A 85 22.261 41.099 34.488 1.00 24.06 H new ATOM 0 HD11 LEU A 85 23.021 43.129 33.657 1.00 25.84 H new ATOM 0 HD12 LEU A 85 22.977 43.165 35.240 1.00 25.84 H new ATOM 0 HD13 LEU A 85 24.358 42.970 34.490 1.00 25.84 H new ATOM 0 HD21 LEU A 85 23.464 41.010 32.475 1.00 31.93 H new ATOM 0 HD22 LEU A 85 24.804 40.786 33.290 1.00 31.93 H new ATOM 0 HD23 LEU A 85 23.678 39.672 33.295 1.00 31.93 H new ATOM 686 N TRP A 86 22.101 40.032 38.465 1.00 14.08 N ATOM 687 CA TRP A 86 21.722 39.051 39.471 1.00 10.66 C ATOM 688 C TRP A 86 20.869 38.005 38.776 1.00 12.64 C ATOM 689 O TRP A 86 19.828 38.327 38.217 1.00 13.85 O ATOM 690 CB TRP A 86 20.908 39.703 40.588 1.00 7.24 C ATOM 691 CG TRP A 86 21.665 40.716 41.382 1.00 9.74 C ATOM 692 CD1 TRP A 86 22.097 41.940 40.948 1.00 10.12 C ATOM 693 CD2 TRP A 86 22.058 40.616 42.757 1.00 8.32 C ATOM 694 NE1 TRP A 86 22.731 42.604 41.966 1.00 12.02 N ATOM 695 CE2 TRP A 86 22.723 41.819 43.089 1.00 8.47 C ATOM 696 CE3 TRP A 86 21.910 39.630 43.744 1.00 9.41 C ATOM 697 CZ2 TRP A 86 23.244 42.066 44.367 1.00 11.95 C ATOM 698 CZ3 TRP A 86 22.422 39.875 45.016 1.00 8.69 C ATOM 699 CH2 TRP A 86 23.082 41.083 45.315 1.00 15.01 C ATOM 0 H TRP A 86 21.431 40.403 38.073 1.00 14.08 H new ATOM 0 HA TRP A 86 22.515 38.659 39.869 1.00 10.66 H new ATOM 0 HB2 TRP A 86 20.127 40.128 40.200 1.00 7.24 H new ATOM 0 HB3 TRP A 86 20.586 39.011 41.187 1.00 7.24 H new ATOM 0 HD1 TRP A 86 21.978 42.273 40.088 1.00 10.12 H new ATOM 0 HE1 TRP A 86 23.079 43.389 41.909 1.00 12.02 H new ATOM 0 HE3 TRP A 86 21.479 38.829 43.553 1.00 9.41 H new ATOM 0 HZ2 TRP A 86 23.681 42.862 44.566 1.00 11.95 H new ATOM 0 HZ3 TRP A 86 22.326 39.230 45.679 1.00 8.69 H new ATOM 0 HH2 TRP A 86 23.416 41.219 46.172 1.00 15.01 H new ATOM 700 N GLN A 87 21.326 36.761 38.792 1.00 11.88 N ATOM 701 CA GLN A 87 20.610 35.667 38.151 1.00 11.39 C ATOM 702 C GLN A 87 19.438 35.195 39.000 1.00 12.00 C ATOM 703 O GLN A 87 19.589 35.006 40.201 1.00 11.24 O ATOM 704 CB GLN A 87 21.570 34.485 37.940 1.00 14.49 C ATOM 705 CG GLN A 87 20.954 33.287 37.231 1.00 18.40 C ATOM 706 CD GLN A 87 20.598 33.589 35.784 1.00 23.31 C ATOM 707 OE1 GLN A 87 21.462 33.972 34.990 1.00 27.67 O ATOM 708 NE2 GLN A 87 19.325 33.418 35.432 1.00 26.80 N ATOM 0 H GLN A 87 22.060 36.526 39.174 1.00 11.88 H new ATOM 0 HA GLN A 87 20.269 35.990 37.302 1.00 11.39 H new ATOM 0 HB2 GLN A 87 22.334 34.792 37.427 1.00 14.49 H new ATOM 0 HB3 GLN A 87 21.905 34.198 38.804 1.00 14.49 H new ATOM 0 HG2 GLN A 87 21.575 32.543 37.260 1.00 18.40 H new ATOM 0 HG3 GLN A 87 20.156 33.009 37.706 1.00 18.40 H new ATOM 0 HE21 GLN A 87 18.751 33.150 36.013 1.00 26.80 H new ATOM 0 HE22 GLN A 87 19.077 33.576 34.624 1.00 26.80 H new ATOM 709 N ILE A 88 18.263 35.037 38.399 1.00 11.31 N ATOM 710 CA ILE A 88 17.126 34.520 39.155 1.00 12.62 C ATOM 711 C ILE A 88 17.322 33.004 39.123 1.00 11.88 C ATOM 712 O ILE A 88 17.188 32.386 38.070 1.00 14.98 O ATOM 713 CB ILE A 88 15.767 34.870 38.502 1.00 15.22 C ATOM 714 CG1 ILE A 88 15.512 36.380 38.547 1.00 17.20 C ATOM 715 CG2 ILE A 88 14.629 34.147 39.226 1.00 12.57 C ATOM 716 CD1 ILE A 88 14.292 36.818 37.728 1.00 13.83 C ATOM 0 H ILE A 88 18.104 35.218 37.573 1.00 11.31 H new ATOM 0 HA ILE A 88 17.099 34.902 40.046 1.00 12.62 H new ATOM 0 HB ILE A 88 15.799 34.582 37.576 1.00 15.22 H new ATOM 0 HG12 ILE A 88 15.388 36.653 39.470 1.00 17.20 H new ATOM 0 HG13 ILE A 88 16.298 36.844 38.217 1.00 17.20 H new ATOM 0 HG21 ILE A 88 13.784 34.374 38.808 1.00 12.57 H new ATOM 0 HG22 ILE A 88 14.769 33.189 39.173 1.00 12.57 H new ATOM 0 HG23 ILE A 88 14.613 34.420 40.157 1.00 12.57 H new ATOM 0 HD11 ILE A 88 14.184 37.780 37.796 1.00 13.83 H new ATOM 0 HD12 ILE A 88 14.421 36.573 36.798 1.00 13.83 H new ATOM 0 HD13 ILE A 88 13.498 36.379 38.070 1.00 13.83 H new ATOM 717 N GLN A 89 17.731 32.421 40.247 1.00 15.00 N ATOM 718 CA GLN A 89 17.951 30.974 40.311 1.00 16.39 C ATOM 719 C GLN A 89 16.646 30.218 40.495 1.00 16.88 C ATOM 720 O GLN A 89 16.505 29.078 40.045 1.00 19.34 O ATOM 721 CB GLN A 89 18.974 30.628 41.379 1.00 12.14 C ATOM 722 CG GLN A 89 20.292 31.319 41.124 1.00 13.54 C ATOM 723 CD GLN A 89 21.419 30.665 41.868 1.00 9.67 C ATOM 724 OE1 GLN A 89 21.586 30.871 43.061 1.00 12.98 O ATOM 725 NE2 GLN A 89 22.198 29.858 41.165 1.00 13.21 N ATOM 0 H GLN A 89 17.887 32.841 40.981 1.00 15.00 H new ATOM 0 HA GLN A 89 18.317 30.688 39.460 1.00 16.39 H new ATOM 0 HB2 GLN A 89 18.635 30.886 42.250 1.00 12.14 H new ATOM 0 HB3 GLN A 89 19.109 29.668 41.401 1.00 12.14 H new ATOM 0 HG2 GLN A 89 20.484 31.309 40.173 1.00 13.54 H new ATOM 0 HG3 GLN A 89 20.226 32.249 41.390 1.00 13.54 H new ATOM 0 HE21 GLN A 89 22.048 29.738 40.327 1.00 13.21 H new ATOM 0 HE22 GLN A 89 22.854 29.453 41.547 1.00 13.21 H new ATOM 726 N HIS A 90 15.710 30.839 41.205 1.00 15.39 N ATOM 727 CA HIS A 90 14.376 30.269 41.348 1.00 12.39 C ATOM 728 C HIS A 90 13.342 31.307 41.775 1.00 11.51 C ATOM 729 O HIS A 90 13.672 32.323 42.393 1.00 9.32 O ATOM 730 CB HIS A 90 14.344 28.958 42.166 1.00 11.57 C ATOM 731 CG HIS A 90 14.323 29.134 43.652 1.00 11.82 C ATOM 732 ND1 HIS A 90 14.933 28.431 44.632 1.00 15.98 N flip ATOM 733 CD2 HIS A 90 13.547 30.079 44.288 1.00 5.68 C flip ATOM 734 CE1 HIS A 90 14.518 28.958 45.829 1.00 5.12 C flip ATOM 735 NE2 HIS A 90 13.681 29.950 45.594 1.00 9.37 N flip ATOM 0 H HIS A 90 15.827 31.588 41.610 1.00 15.39 H new ATOM 0 HA HIS A 90 14.105 29.990 40.459 1.00 12.39 H new ATOM 0 HB2 HIS A 90 13.561 28.449 41.904 1.00 11.57 H new ATOM 0 HB3 HIS A 90 15.120 28.427 41.929 1.00 11.57 H new ATOM 0 HD2 HIS A 90 13.012 30.710 43.863 1.00 5.68 H new ATOM 0 HE1 HIS A 90 14.784 28.663 46.670 1.00 5.12 H new ATOM 0 HE2 HIS A 90 13.290 30.431 46.190 1.00 9.37 H new ATOM 736 N HIS A 91 12.115 31.088 41.323 1.00 12.42 N ATOM 737 CA HIS A 91 10.985 31.956 41.612 1.00 13.33 C ATOM 738 C HIS A 91 9.830 31.011 41.883 1.00 14.22 C ATOM 739 O HIS A 91 9.227 30.461 40.965 1.00 14.55 O ATOM 740 CB HIS A 91 10.677 32.837 40.398 1.00 14.49 C ATOM 741 CG HIS A 91 9.508 33.757 40.588 1.00 11.65 C ATOM 742 ND1 HIS A 91 8.830 34.320 39.529 1.00 10.13 N ATOM 743 CD2 HIS A 91 8.919 34.236 41.709 1.00 12.17 C ATOM 744 CE1 HIS A 91 7.875 35.108 39.990 1.00 11.37 C ATOM 745 NE2 HIS A 91 7.908 35.075 41.309 1.00 11.03 N ATOM 0 H HIS A 91 11.912 30.415 40.828 1.00 12.42 H new ATOM 0 HA HIS A 91 11.156 32.549 42.360 1.00 13.33 H new ATOM 0 HB2 HIS A 91 11.462 33.367 40.188 1.00 14.49 H new ATOM 0 HB3 HIS A 91 10.506 32.267 39.632 1.00 14.49 H new ATOM 0 HD1 HIS A 91 9.002 34.180 38.698 1.00 10.13 H new ATOM 0 HD2 HIS A 91 9.155 34.035 42.586 1.00 12.17 H new ATOM 0 HE1 HIS A 91 7.280 35.602 39.473 1.00 11.37 H new ATOM 746 N LEU A 92 9.536 30.818 43.160 1.00 14.20 N ATOM 747 CA LEU A 92 8.483 29.908 43.549 1.00 16.13 C ATOM 748 C LEU A 92 7.706 30.337 44.773 1.00 15.61 C ATOM 749 O LEU A 92 7.994 31.364 45.392 1.00 13.18 O ATOM 750 CB LEU A 92 9.052 28.491 43.741 1.00 21.91 C ATOM 751 CG LEU A 92 10.522 28.319 44.137 1.00 19.48 C ATOM 752 CD1 LEU A 92 10.697 28.548 45.601 1.00 21.10 C ATOM 753 CD2 LEU A 92 11.003 26.940 43.775 1.00 24.03 C ATOM 0 H LEU A 92 9.937 31.206 43.814 1.00 14.20 H new ATOM 0 HA LEU A 92 7.843 29.916 42.820 1.00 16.13 H new ATOM 0 HB2 LEU A 92 8.515 28.051 44.418 1.00 21.91 H new ATOM 0 HB3 LEU A 92 8.915 28.007 42.911 1.00 21.91 H new ATOM 0 HG LEU A 92 11.048 28.974 43.652 1.00 19.48 H new ATOM 0 HD11 LEU A 92 11.631 28.436 45.837 1.00 21.10 H new ATOM 0 HD12 LEU A 92 10.413 29.448 45.824 1.00 21.10 H new ATOM 0 HD13 LEU A 92 10.160 27.909 46.095 1.00 21.10 H new ATOM 0 HD21 LEU A 92 11.934 26.844 44.031 1.00 24.03 H new ATOM 0 HD22 LEU A 92 10.470 26.278 44.243 1.00 24.03 H new ATOM 0 HD23 LEU A 92 10.916 26.807 42.818 1.00 24.03 H new ATOM 754 N MET A 93 6.655 29.576 45.046 1.00 15.85 N ATOM 755 CA MET A 93 5.782 29.789 46.182 1.00 20.41 C ATOM 756 C MET A 93 6.280 28.825 47.251 1.00 22.02 C ATOM 757 O MET A 93 6.350 27.612 47.013 1.00 19.65 O ATOM 758 CB MET A 93 4.354 29.422 45.787 1.00 26.24 C ATOM 759 CG MET A 93 3.275 30.079 46.628 1.00 34.92 C ATOM 760 SD MET A 93 3.241 31.869 46.373 1.00 41.75 S ATOM 761 CE MET A 93 3.437 31.974 44.624 1.00 34.79 C ATOM 0 H MET A 93 6.426 28.904 44.560 1.00 15.85 H new ATOM 0 HA MET A 93 5.787 30.709 46.490 1.00 20.41 H new ATOM 0 HB2 MET A 93 4.216 29.665 44.858 1.00 26.24 H new ATOM 0 HB3 MET A 93 4.252 28.459 45.847 1.00 26.24 H new ATOM 0 HG2 MET A 93 2.411 29.702 46.401 1.00 34.92 H new ATOM 0 HG3 MET A 93 3.431 29.887 47.566 1.00 34.92 H new ATOM 0 HE1 MET A 93 3.127 32.840 44.315 1.00 34.79 H new ATOM 0 HE2 MET A 93 4.374 31.866 44.396 1.00 34.79 H new ATOM 0 HE3 MET A 93 2.918 31.274 44.197 1.00 34.79 H new ATOM 762 N VAL A 94 6.703 29.364 48.390 1.00 22.33 N ATOM 763 CA VAL A 94 7.194 28.536 49.487 1.00 24.39 C ATOM 764 C VAL A 94 6.368 28.825 50.730 1.00 26.64 C ATOM 765 O VAL A 94 6.375 29.938 51.244 1.00 26.50 O ATOM 766 CB VAL A 94 8.668 28.806 49.799 1.00 25.47 C ATOM 767 CG1 VAL A 94 9.120 27.943 50.956 1.00 26.45 C ATOM 768 CG2 VAL A 94 9.513 28.518 48.600 1.00 25.45 C ATOM 0 H VAL A 94 6.714 30.209 48.548 1.00 22.33 H new ATOM 0 HA VAL A 94 7.111 27.608 49.219 1.00 24.39 H new ATOM 0 HB VAL A 94 8.766 29.741 50.039 1.00 25.47 H new ATOM 0 HG11 VAL A 94 10.054 28.120 51.147 1.00 26.45 H new ATOM 0 HG12 VAL A 94 8.586 28.147 51.740 1.00 26.45 H new ATOM 0 HG13 VAL A 94 9.010 27.007 50.725 1.00 26.45 H new ATOM 0 HG21 VAL A 94 10.444 28.693 48.810 1.00 25.45 H new ATOM 0 HG22 VAL A 94 9.408 27.588 48.346 1.00 25.45 H new ATOM 0 HG23 VAL A 94 9.236 29.086 47.864 1.00 25.45 H new ATOM 769 N ARG A 95 5.656 27.812 51.206 1.00 28.59 N ATOM 770 CA ARG A 95 4.801 27.950 52.377 1.00 30.86 C ATOM 771 C ARG A 95 3.795 29.092 52.197 1.00 28.49 C ATOM 772 O ARG A 95 3.442 29.785 53.150 1.00 31.14 O ATOM 773 CB ARG A 95 5.643 28.127 53.648 1.00 35.29 C ATOM 774 CG ARG A 95 6.193 26.814 54.231 1.00 43.27 C ATOM 775 CD ARG A 95 7.128 26.076 53.271 1.00 50.53 C ATOM 776 NE ARG A 95 7.570 24.779 53.793 1.00 54.79 N ATOM 777 CZ ARG A 95 8.841 24.378 53.845 1.00 56.28 C ATOM 778 NH1 ARG A 95 9.818 25.167 53.407 1.00 52.45 N ATOM 779 NH2 ARG A 95 9.140 23.184 54.347 1.00 59.62 N ATOM 0 H ARG A 95 5.655 27.025 50.859 1.00 28.59 H new ATOM 0 HA ARG A 95 4.289 27.132 52.477 1.00 30.86 H new ATOM 0 HB2 ARG A 95 6.387 28.718 53.451 1.00 35.29 H new ATOM 0 HB3 ARG A 95 5.102 28.567 54.323 1.00 35.29 H new ATOM 0 HG2 ARG A 95 6.669 27.006 55.054 1.00 43.27 H new ATOM 0 HG3 ARG A 95 5.451 26.233 54.462 1.00 43.27 H new ATOM 0 HD2 ARG A 95 6.675 25.942 52.424 1.00 50.53 H new ATOM 0 HD3 ARG A 95 7.904 26.630 53.093 1.00 50.53 H new ATOM 0 HE ARG A 95 6.968 24.239 54.086 1.00 54.79 H new ATOM 0 HH11 ARG A 95 9.633 25.943 53.087 1.00 52.45 H new ATOM 0 HH12 ARG A 95 10.635 24.901 53.444 1.00 52.45 H new ATOM 0 HH21 ARG A 95 8.514 22.671 54.638 1.00 59.62 H new ATOM 0 HH22 ARG A 95 9.959 22.925 54.381 1.00 59.62 H new ATOM 780 N GLY A 96 3.352 29.283 50.955 1.00 26.49 N ATOM 781 CA GLY A 96 2.376 30.317 50.646 1.00 24.62 C ATOM 782 C GLY A 96 2.914 31.701 50.337 1.00 24.27 C ATOM 783 O GLY A 96 2.137 32.605 50.018 1.00 26.98 O ATOM 0 H GLY A 96 3.608 28.820 50.277 1.00 26.49 H new ATOM 0 HA2 GLY A 96 1.853 30.020 49.885 1.00 24.62 H new ATOM 0 HA3 GLY A 96 1.767 30.391 51.397 1.00 24.62 H new ATOM 784 N VAL A 97 4.233 31.864 50.405 1.00 20.29 N ATOM 785 CA VAL A 97 4.881 33.147 50.136 1.00 18.13 C ATOM 786 C VAL A 97 5.712 33.086 48.863 1.00 16.61 C ATOM 787 O VAL A 97 6.472 32.136 48.653 1.00 18.26 O ATOM 788 CB VAL A 97 5.802 33.548 51.310 1.00 21.27 C ATOM 789 CG1 VAL A 97 6.535 34.843 51.013 1.00 21.18 C ATOM 790 CG2 VAL A 97 4.988 33.696 52.572 1.00 24.93 C ATOM 0 H VAL A 97 4.780 31.232 50.609 1.00 20.29 H new ATOM 0 HA VAL A 97 4.179 33.808 50.028 1.00 18.13 H new ATOM 0 HB VAL A 97 6.462 32.848 51.431 1.00 21.27 H new ATOM 0 HG11 VAL A 97 7.105 35.072 51.764 1.00 21.18 H new ATOM 0 HG12 VAL A 97 7.078 34.732 50.217 1.00 21.18 H new ATOM 0 HG13 VAL A 97 5.891 35.554 50.868 1.00 21.18 H new ATOM 0 HG21 VAL A 97 5.571 33.948 53.306 1.00 24.93 H new ATOM 0 HG22 VAL A 97 4.315 34.382 52.444 1.00 24.93 H new ATOM 0 HG23 VAL A 97 4.555 32.853 52.778 1.00 24.93 H new ATOM 791 N GLN A 98 5.568 34.104 48.019 1.00 11.13 N ATOM 792 CA GLN A 98 6.322 34.187 46.770 1.00 9.24 C ATOM 793 C GLN A 98 7.790 34.470 47.113 1.00 11.25 C ATOM 794 O GLN A 98 8.095 35.368 47.912 1.00 9.57 O ATOM 795 CB GLN A 98 5.759 35.290 45.876 1.00 11.50 C ATOM 796 CG GLN A 98 6.286 35.263 44.460 1.00 20.05 C ATOM 797 CD GLN A 98 5.622 36.297 43.574 1.00 21.93 C ATOM 798 OE1 GLN A 98 4.479 36.814 44.020 1.00 24.81 O flip ATOM 799 NE2 GLN A 98 6.127 36.628 42.500 1.00 24.35 N flip ATOM 0 H GLN A 98 5.033 34.764 48.153 1.00 11.13 H new ATOM 0 HA GLN A 98 6.251 33.350 46.285 1.00 9.24 H new ATOM 0 HB2 GLN A 98 4.792 35.213 45.853 1.00 11.50 H new ATOM 0 HB3 GLN A 98 5.966 36.151 46.272 1.00 11.50 H new ATOM 0 HG2 GLN A 98 7.243 35.418 44.471 1.00 20.05 H new ATOM 0 HG3 GLN A 98 6.146 34.380 44.083 1.00 20.05 H new ATOM 0 HE21 GLN A 98 6.867 36.272 42.245 1.00 24.35 H new ATOM 0 HE22 GLN A 98 5.739 37.215 42.005 1.00 24.35 H new ATOM 800 N GLU A 99 8.692 33.711 46.498 1.00 12.43 N ATOM 801 CA GLU A 99 10.110 33.859 46.782 1.00 11.35 C ATOM 802 C GLU A 99 11.027 33.912 45.563 1.00 10.20 C ATOM 803 O GLU A 99 10.893 33.119 44.635 1.00 9.87 O ATOM 804 CB GLU A 99 10.563 32.723 47.708 1.00 9.36 C ATOM 805 CG GLU A 99 12.063 32.672 47.920 1.00 14.16 C ATOM 806 CD GLU A 99 12.491 31.512 48.781 1.00 13.26 C ATOM 807 OE1 GLU A 99 12.259 31.552 50.003 1.00 18.35 O ATOM 808 OE2 GLU A 99 13.081 30.565 48.244 1.00 13.98 O ATOM 0 H GLU A 99 8.502 33.107 45.916 1.00 12.43 H new ATOM 0 HA GLU A 99 10.195 34.729 47.202 1.00 11.35 H new ATOM 0 HB2 GLU A 99 10.126 32.824 48.568 1.00 9.36 H new ATOM 0 HB3 GLU A 99 10.268 31.877 47.337 1.00 9.36 H new ATOM 0 HG2 GLU A 99 12.505 32.611 47.059 1.00 14.16 H new ATOM 0 HG3 GLU A 99 12.356 33.500 48.331 1.00 14.16 H new ATOM 809 N LEU A 100 11.960 34.861 45.581 1.00 10.42 N ATOM 810 CA LEU A 100 12.947 34.997 44.515 1.00 8.12 C ATOM 811 C LEU A 100 14.276 34.636 45.128 1.00 7.89 C ATOM 812 O LEU A 100 14.535 34.988 46.278 1.00 8.59 O ATOM 813 CB LEU A 100 13.038 36.438 44.014 1.00 10.38 C ATOM 814 CG LEU A 100 11.968 37.005 43.083 1.00 8.57 C ATOM 815 CD1 LEU A 100 12.180 38.503 42.937 1.00 12.70 C ATOM 816 CD2 LEU A 100 12.034 36.317 41.734 1.00 11.56 C ATOM 0 H LEU A 100 12.038 35.442 46.210 1.00 10.42 H new ATOM 0 HA LEU A 100 12.702 34.432 43.766 1.00 8.12 H new ATOM 0 HB2 LEU A 100 13.070 37.011 44.796 1.00 10.38 H new ATOM 0 HB3 LEU A 100 13.890 36.530 43.560 1.00 10.38 H new ATOM 0 HG LEU A 100 11.088 36.845 43.458 1.00 8.57 H new ATOM 0 HD11 LEU A 100 11.503 38.870 42.347 1.00 12.70 H new ATOM 0 HD12 LEU A 100 12.113 38.926 43.807 1.00 12.70 H new ATOM 0 HD13 LEU A 100 13.059 38.671 42.564 1.00 12.70 H new ATOM 0 HD21 LEU A 100 11.352 36.683 41.150 1.00 11.56 H new ATOM 0 HD22 LEU A 100 12.908 36.461 41.339 1.00 11.56 H new ATOM 0 HD23 LEU A 100 11.885 35.365 41.848 1.00 11.56 H new ATOM 817 N LEU A 101 15.069 33.849 44.405 1.00 8.76 N ATOM 818 CA LEU A 101 16.406 33.497 44.861 1.00 10.93 C ATOM 819 C LEU A 101 17.342 34.076 43.806 1.00 12.06 C ATOM 820 O LEU A 101 17.403 33.584 42.671 1.00 13.11 O ATOM 821 CB LEU A 101 16.609 31.982 44.998 1.00 9.65 C ATOM 822 CG LEU A 101 18.001 31.673 45.574 1.00 11.27 C ATOM 823 CD1 LEU A 101 18.099 32.208 46.995 1.00 11.25 C ATOM 824 CD2 LEU A 101 18.299 30.176 45.524 1.00 12.23 C ATOM 0 H LEU A 101 14.849 33.509 43.646 1.00 8.76 H new ATOM 0 HA LEU A 101 16.573 33.851 45.748 1.00 10.93 H new ATOM 0 HB2 LEU A 101 15.924 31.610 45.576 1.00 9.65 H new ATOM 0 HB3 LEU A 101 16.510 31.558 44.131 1.00 9.65 H new ATOM 0 HG LEU A 101 18.670 32.116 45.029 1.00 11.27 H new ATOM 0 HD11 LEU A 101 18.978 32.011 47.355 1.00 11.25 H new ATOM 0 HD12 LEU A 101 17.959 33.168 46.990 1.00 11.25 H new ATOM 0 HD13 LEU A 101 17.422 31.786 47.547 1.00 11.25 H new ATOM 0 HD21 LEU A 101 19.181 30.009 45.892 1.00 12.23 H new ATOM 0 HD22 LEU A 101 17.636 29.696 46.044 1.00 12.23 H new ATOM 0 HD23 LEU A 101 18.270 29.871 44.604 1.00 12.23 H new ATOM 825 N LEU A 102 18.030 35.153 44.188 1.00 12.14 N ATOM 826 CA LEU A 102 18.950 35.881 43.312 1.00 12.70 C ATOM 827 C LEU A 102 20.417 35.604 43.596 1.00 11.45 C ATOM 828 O LEU A 102 20.832 35.526 44.747 1.00 14.27 O ATOM 829 CB LEU A 102 18.713 37.388 43.454 1.00 9.65 C ATOM 830 CG LEU A 102 17.294 37.898 43.228 1.00 12.23 C ATOM 831 CD1 LEU A 102 17.230 39.413 43.442 1.00 11.94 C ATOM 832 CD2 LEU A 102 16.856 37.527 41.826 1.00 11.88 C ATOM 0 H LEU A 102 17.974 35.487 44.978 1.00 12.14 H new ATOM 0 HA LEU A 102 18.763 35.569 42.413 1.00 12.70 H new ATOM 0 HB2 LEU A 102 18.988 37.652 44.346 1.00 9.65 H new ATOM 0 HB3 LEU A 102 19.299 37.844 42.830 1.00 9.65 H new ATOM 0 HG LEU A 102 16.692 37.487 43.868 1.00 12.23 H new ATOM 0 HD11 LEU A 102 16.323 39.723 43.295 1.00 11.94 H new ATOM 0 HD12 LEU A 102 17.500 39.623 44.350 1.00 11.94 H new ATOM 0 HD13 LEU A 102 17.827 39.854 42.817 1.00 11.94 H new ATOM 0 HD21 LEU A 102 15.953 37.848 41.673 1.00 11.88 H new ATOM 0 HD22 LEU A 102 17.456 37.933 41.181 1.00 11.88 H new ATOM 0 HD23 LEU A 102 16.877 36.563 41.725 1.00 11.88 H new ATOM 833 N LYS A 103 21.210 35.532 42.536 1.00 10.60 N ATOM 834 CA LYS A 103 22.630 35.284 42.677 1.00 10.78 C ATOM 835 C LYS A 103 23.414 36.371 41.960 1.00 8.25 C ATOM 836 O LYS A 103 23.250 36.566 40.756 1.00 9.80 O ATOM 837 CB LYS A 103 22.990 33.913 42.093 1.00 14.08 C ATOM 838 CG LYS A 103 24.456 33.517 42.291 1.00 12.97 C ATOM 839 CD LYS A 103 24.750 32.164 41.689 1.00 18.27 C ATOM 840 CE LYS A 103 26.194 31.801 41.902 1.00 19.25 C ATOM 841 NZ LYS A 103 26.495 30.426 41.441 1.00 26.24 N ATOM 0 H LYS A 103 20.941 35.625 41.724 1.00 10.60 H new ATOM 0 HA LYS A 103 22.858 35.292 43.620 1.00 10.78 H new ATOM 0 HB2 LYS A 103 22.425 33.239 42.502 1.00 14.08 H new ATOM 0 HB3 LYS A 103 22.790 33.913 41.144 1.00 14.08 H new ATOM 0 HG2 LYS A 103 25.030 34.185 41.885 1.00 12.97 H new ATOM 0 HG3 LYS A 103 24.663 33.503 43.238 1.00 12.97 H new ATOM 0 HD2 LYS A 103 24.178 31.492 42.092 1.00 18.27 H new ATOM 0 HD3 LYS A 103 24.549 32.175 40.740 1.00 18.27 H new ATOM 0 HE2 LYS A 103 26.758 32.431 41.427 1.00 19.25 H new ATOM 0 HE3 LYS A 103 26.411 31.880 42.844 1.00 19.25 H new ATOM 0 HZ1 LYS A 103 27.355 30.247 41.582 1.00 26.24 H new ATOM 0 HZ2 LYS A 103 25.993 29.845 41.892 1.00 26.24 H new ATOM 0 HZ3 LYS A 103 26.317 30.359 40.572 1.00 26.24 H new ATOM 842 N LEU A 104 24.260 37.077 42.703 1.00 8.70 N ATOM 843 CA LEU A 104 25.077 38.140 42.119 1.00 10.28 C ATOM 844 C LEU A 104 26.169 37.528 41.256 1.00 9.18 C ATOM 845 O LEU A 104 26.997 36.763 41.743 1.00 11.41 O ATOM 846 CB LEU A 104 25.698 39.012 43.212 1.00 10.80 C ATOM 847 CG LEU A 104 26.633 40.102 42.701 1.00 10.58 C ATOM 848 CD1 LEU A 104 25.905 41.017 41.723 1.00 10.79 C ATOM 849 CD2 LEU A 104 27.181 40.879 43.872 1.00 11.82 C ATOM 0 H LEU A 104 24.377 36.958 43.547 1.00 8.70 H new ATOM 0 HA LEU A 104 24.509 38.702 41.570 1.00 10.28 H new ATOM 0 HB2 LEU A 104 24.985 39.427 43.722 1.00 10.80 H new ATOM 0 HB3 LEU A 104 26.189 38.442 43.824 1.00 10.80 H new ATOM 0 HG LEU A 104 27.373 39.695 42.223 1.00 10.58 H new ATOM 0 HD11 LEU A 104 26.513 41.704 41.408 1.00 10.79 H new ATOM 0 HD12 LEU A 104 25.587 40.497 40.969 1.00 10.79 H new ATOM 0 HD13 LEU A 104 25.151 41.433 42.169 1.00 10.79 H new ATOM 0 HD21 LEU A 104 27.777 41.573 43.550 1.00 11.82 H new ATOM 0 HD22 LEU A 104 26.449 41.284 44.363 1.00 11.82 H new ATOM 0 HD23 LEU A 104 27.670 40.280 44.457 1.00 11.82 H new ATOM 850 N LEU A 105 26.133 37.843 39.969 1.00 6.87 N ATOM 851 CA LEU A 105 27.095 37.332 39.008 1.00 9.92 C ATOM 852 C LEU A 105 28.296 38.268 38.875 1.00 15.63 C ATOM 853 O LEU A 105 28.194 39.464 39.163 1.00 14.69 O ATOM 854 CB LEU A 105 26.414 37.171 37.649 1.00 10.09 C ATOM 855 CG LEU A 105 25.218 36.216 37.594 1.00 8.13 C ATOM 856 CD1 LEU A 105 24.583 36.276 36.208 1.00 12.90 C ATOM 857 CD2 LEU A 105 25.660 34.808 37.910 1.00 12.11 C ATOM 0 H LEU A 105 25.542 38.365 39.626 1.00 6.87 H new ATOM 0 HA LEU A 105 27.417 36.473 39.323 1.00 9.92 H new ATOM 0 HB2 LEU A 105 26.118 38.046 37.352 1.00 10.09 H new ATOM 0 HB3 LEU A 105 27.077 36.864 37.011 1.00 10.09 H new ATOM 0 HG LEU A 105 24.562 36.485 38.256 1.00 8.13 H new ATOM 0 HD11 LEU A 105 23.825 35.671 36.172 1.00 12.90 H new ATOM 0 HD12 LEU A 105 24.283 37.181 36.028 1.00 12.90 H new ATOM 0 HD13 LEU A 105 25.237 36.014 35.541 1.00 12.90 H new ATOM 0 HD21 LEU A 105 24.895 34.212 37.872 1.00 12.11 H new ATOM 0 HD22 LEU A 105 26.323 34.524 37.262 1.00 12.11 H new ATOM 0 HD23 LEU A 105 26.046 34.782 38.799 1.00 12.11 H new ATOM 858 N PRO A 106 29.457 37.731 38.457 1.00 19.64 N ATOM 859 CA PRO A 106 30.660 38.558 38.297 1.00 22.67 C ATOM 860 C PRO A 106 30.432 39.539 37.164 1.00 25.96 C ATOM 861 O PRO A 106 29.753 39.206 36.190 1.00 29.22 O ATOM 862 CB PRO A 106 31.742 37.532 37.956 1.00 20.17 C ATOM 863 CG PRO A 106 30.980 36.424 37.296 1.00 18.51 C ATOM 864 CD PRO A 106 29.735 36.320 38.137 1.00 19.87 C ATOM 0 HA PRO A 106 30.897 39.088 39.074 1.00 22.67 H new ATOM 0 HB2 PRO A 106 32.414 37.905 37.364 1.00 20.17 H new ATOM 0 HB3 PRO A 106 32.204 37.223 38.751 1.00 20.17 H new ATOM 0 HG2 PRO A 106 30.772 36.632 36.372 1.00 18.51 H new ATOM 0 HG3 PRO A 106 31.482 35.594 37.294 1.00 18.51 H new ATOM 0 HD2 PRO A 106 29.003 35.908 37.652 1.00 19.87 H new ATOM 0 HD3 PRO A 106 29.881 35.789 38.936 1.00 19.87 H new ATOM 865 N ASP A 107 30.943 40.758 37.296 1.00 30.85 N ATOM 866 CA ASP A 107 30.739 41.746 36.238 1.00 37.83 C ATOM 867 C ASP A 107 31.469 41.340 34.971 1.00 41.65 C ATOM 868 O ASP A 107 32.653 41.016 35.014 1.00 40.17 O ATOM 869 CB ASP A 107 31.196 43.140 36.671 1.00 43.05 C ATOM 870 CG ASP A 107 30.820 44.219 35.654 1.00 51.89 C ATOM 871 OD1 ASP A 107 31.520 44.348 34.618 1.00 53.03 O ATOM 872 OD2 ASP A 107 29.815 44.933 35.892 1.00 54.46 O ATOM 0 H ASP A 107 31.400 41.031 37.972 1.00 30.85 H new ATOM 0 HA ASP A 107 29.786 41.779 36.060 1.00 37.83 H new ATOM 0 HB2 ASP A 107 30.799 43.356 37.529 1.00 43.05 H new ATOM 0 HB3 ASP A 107 32.158 43.138 36.796 1.00 43.05 H new ATOM 873 N ASP A 108 30.750 41.325 33.853 1.00 46.19 N ATOM 874 CA ASP A 108 31.352 40.962 32.577 1.00 50.93 C ATOM 875 C ASP A 108 31.279 42.138 31.608 1.00 51.95 C ATOM 876 O ASP A 108 31.867 43.180 31.964 1.00 53.18 O ATOM 877 CB ASP A 108 30.661 39.731 31.977 1.00 51.88 C ATOM 878 CG ASP A 108 31.404 39.166 30.761 1.00 52.53 C ATOM 879 OD1 ASP A 108 32.547 39.602 30.477 1.00 50.50 O ATOM 880 OD2 ASP A 108 30.842 38.271 30.092 1.00 55.16 O ATOM 881 OXT ASP A 108 30.861 41.990 30.465 1.00 53.01 O ATOM 0 H ASP A 108 29.914 41.521 33.813 1.00 46.19 H new ATOM 0 HA ASP A 108 32.284 40.740 32.731 1.00 50.93 H new ATOM 0 HB2 ASP A 108 30.590 39.042 32.656 1.00 51.88 H new ATOM 0 HB3 ASP A 108 29.757 39.967 31.717 1.00 51.88 H new TER 882 ASP A 108 HETATM 883 O HOH A 201 10.790 54.362 49.155 1.00 40.18 O HETATM 884 O HOH A 202 2.542 44.383 50.633 1.00 23.32 O HETATM 885 O HOH A 203 25.202 45.116 45.802 1.00 43.48 O HETATM 886 O HOH A 204 13.390 60.000 54.870 1.00 43.75 O HETATM 887 O HOH A 205 27.374 41.457 37.460 1.00 17.49 O HETATM 888 O HOH A 206 27.812 34.370 40.842 1.00 50.30 O HETATM 889 O HOH A 207 3.611 36.208 48.759 1.00 23.32 O HETATM 890 O HOH A 208 23.300 44.010 53.130 1.00 43.87 O HETATM 891 O HOH A 209 13.307 31.217 55.633 1.00 42.65 O HETATM 892 O HOH A 210 10.639 51.975 47.659 1.00 46.65 O HETATM 893 O HOH A 211 2.400 38.324 41.933 1.00 42.89 O HETATM 894 O HOH A 212 18.750 47.014 51.139 1.00 20.60 O HETATM 895 O HOH A 213 29.420 41.990 40.390 1.00 35.57 O HETATM 896 O HOH A 214 19.260 32.730 32.410 1.00 47.68 O HETATM 897 O HOH A 215 15.685 48.995 59.961 1.00 46.82 O HETATM 898 O HOH A 216 -1.220 40.340 55.790 1.00 58.68 O HETATM 899 O HOH A 217 7.303 41.722 35.036 1.00 44.43 O HETATM 900 O HOH A 218 28.604 49.559 48.327 1.00 56.72 O HETATM 901 O HOH A 219 23.770 46.990 57.770 1.00 39.86 O HETATM 902 O HOH A 220 2.957 37.206 52.169 1.00 51.92 O HETATM 903 O HOH A 221 30.110 49.910 43.900 1.00 57.81 O HETATM 904 O HOH A 222 29.812 49.633 38.182 1.00 45.35 O HETATM 905 O HOH A 223 28.242 50.610 57.743 1.00 50.83 O HETATM 906 O HOH A 224 7.227 31.975 36.634 1.00 29.20 O END