USER MOD reduce.3.24.130724 H: found=0, std=0, add=3392, rem=0, adj=83 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER DNA BINDING PROTEIN 31-MAR-14 4PZO TITLE CRYSTAL STRUCTURE OF PHC3 SAM L967R COMPND MOL_ID: 1; COMPND 2 MOLECULE: POLYHOMEOTIC-LIKE PROTEIN 3; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 FRAGMENT: STERILE ALPHA MOTIF; COMPND 5 SYNONYM: EARLY DEVELOPMENT REGULATORY PROTEIN 3, HOMOLOG OF COMPND 6 POLYHOMEOTIC 3, HPH3; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: EDR3, PH3, PHC3; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) PLYSS; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET-3C KEYWDS SAM DOMAIN, POLYCOMB GROUP, POLYMER, CHROMATIN, DNA BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR D.R.NANYES,S.E.JUNCO,A.B.TAYLOR,A.K.ROBINSON,N.L.PATTERSON, AUTHOR 2 A.SHIVARAJPUR,J.HALLORAN,S.M.HALE,Y.KAUR,P.J.HART,C.A.KIM REVDAT 3 15-OCT-14 4PZO 1 JRNL REVDAT 2 20-AUG-14 4PZO 1 JRNL REVDAT 1 30-JUL-14 4PZO 0 JRNL AUTH D.R.NANYES,S.E.JUNCO,A.B.TAYLOR,A.K.ROBINSON,N.L.PATTERSON, JRNL AUTH 2 A.SHIVARAJPUR,J.HALLORAN,S.M.HALE,Y.KAUR,P.J.HART,C.A.KIM JRNL TITL MULTIPLE POLYMER ARCHITECTURES OF HUMAN POLYHOMEOTIC HOMOLOG JRNL TITL 2 3 STERILE ALPHA MOTIF. JRNL REF PROTEINS V. 82 2823 2014 JRNL REFN ISSN 0887-3585 JRNL PMID 25044168 JRNL DOI 10.1002/PROT.24645 REMARK 2 REMARK 2 RESOLUTION. 2.25 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.8.4_1496) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : TWIN_LSQ_F REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.25 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.56 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.370 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 32704 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.284 REMARK 3 R VALUE (WORKING SET) : 0.282 REMARK 3 FREE R VALUE : 0.335 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 6.150 REMARK 3 FREE R VALUE TEST SET COUNT : 2010 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 39.7355 - 5.4191 0.93 2278 151 0.2664 0.3614 REMARK 3 2 5.4191 - 4.3030 0.94 2210 143 0.2623 0.3373 REMARK 3 3 4.3030 - 3.7595 0.94 2204 143 0.2560 0.3341 REMARK 3 4 3.7595 - 3.4160 0.94 2213 142 0.2690 0.3270 REMARK 3 5 3.4160 - 3.1713 0.94 2182 145 0.2787 0.3315 REMARK 3 6 3.1713 - 2.9844 0.94 2194 143 0.2799 0.3295 REMARK 3 7 2.9844 - 2.8349 0.94 2186 140 0.3027 0.3498 REMARK 3 8 2.8349 - 2.7116 0.94 2180 142 0.2950 0.3198 REMARK 3 9 2.7116 - 2.6072 0.94 2189 146 0.3003 0.3221 REMARK 3 10 2.6072 - 2.5173 0.94 2176 140 0.3036 0.3183 REMARK 3 11 2.5173 - 2.4386 0.94 2190 141 0.3237 0.3625 REMARK 3 12 2.4386 - 2.3689 0.94 2155 136 0.3202 0.3713 REMARK 3 13 2.3689 - 2.3065 0.94 2159 145 0.3321 0.3759 REMARK 3 14 2.3065 - 2.2502 0.94 2176 140 0.3378 0.3874 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : NULL REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 47.640 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 38.90 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 51.70 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 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.003 3441 REMARK 3 ANGLE : 0.592 4642 REMARK 3 CHIRALITY : 0.025 524 REMARK 3 PLANARITY : 0.002 593 REMARK 3 DIHEDRAL : 15.437 1286 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4PZO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-APR-14. REMARK 100 THE RCSB ID CODE IS RCSB085420. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-JAN-10 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 HF REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54178 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS HTC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XDS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 32712 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.250 REMARK 200 RESOLUTION RANGE LOW (A) : 46.640 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : 3.500 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.06200 REMARK 200 FOR THE DATA SET : 9.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.25 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.37 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 3.50 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.47600 REMARK 200 FOR SHELL : 1.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 4PZN REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 59.11 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.01 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.0 M SODIUM ACETATE, PH 5.5, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 295K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 61.97200 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 25.87250 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 61.97200 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 25.87250 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3, 4, 5, 6, 7 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: HEXAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, F REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 3 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 4 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 5 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: D REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 6 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: E REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 7 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: F REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 909 REMARK 465 GLU A 910 REMARK 465 LYS A 911 REMARK 465 THR A 912 REMARK 465 ARG A 913 REMARK 465 HIS A 985 REMARK 465 HIS A 986 REMARK 465 HIS A 987 REMARK 465 HIS A 988 REMARK 465 HIS A 989 REMARK 465 HIS A 990 REMARK 465 MET B 909 REMARK 465 GLU B 910 REMARK 465 LYS B 911 REMARK 465 THR B 912 REMARK 465 ARG B 984 REMARK 465 HIS B 985 REMARK 465 HIS B 986 REMARK 465 HIS B 987 REMARK 465 HIS B 988 REMARK 465 HIS B 989 REMARK 465 HIS B 990 REMARK 465 MET C 909 REMARK 465 GLU C 910 REMARK 465 LYS C 911 REMARK 465 SER C 983 REMARK 465 ARG C 984 REMARK 465 HIS C 985 REMARK 465 HIS C 986 REMARK 465 HIS C 987 REMARK 465 HIS C 988 REMARK 465 HIS C 989 REMARK 465 HIS C 990 REMARK 465 MET D 909 REMARK 465 GLU D 910 REMARK 465 LYS D 911 REMARK 465 THR D 912 REMARK 465 ARG D 913 REMARK 465 ARG D 984 REMARK 465 HIS D 985 REMARK 465 HIS D 986 REMARK 465 HIS D 987 REMARK 465 HIS D 988 REMARK 465 HIS D 989 REMARK 465 HIS D 990 REMARK 465 MET E 909 REMARK 465 GLU E 910 REMARK 465 LYS E 911 REMARK 465 ARG E 984 REMARK 465 HIS E 985 REMARK 465 HIS E 986 REMARK 465 HIS E 987 REMARK 465 HIS E 988 REMARK 465 HIS E 989 REMARK 465 HIS E 990 REMARK 465 MET F 909 REMARK 465 GLU F 910 REMARK 465 LYS F 911 REMARK 465 THR F 912 REMARK 465 ARG F 984 REMARK 465 HIS F 985 REMARK 465 HIS F 986 REMARK 465 HIS F 987 REMARK 465 HIS F 988 REMARK 465 HIS F 989 REMARK 465 HIS F 990 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 961 -44.64 -148.05 REMARK 500 GLU A 982 -87.25 -67.30 REMARK 500 ASN B 964 -5.54 60.39 REMARK 500 GLU B 982 -5.64 64.81 REMARK 500 ALA C 962 -71.07 -37.36 REMARK 500 MET D 960 -83.66 -71.48 REMARK 500 ASN F 964 88.94 -67.12 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4PZN RELATED DB: PDB DBREF 4PZO A 914 983 UNP Q8NDX5 PHC3_HUMAN 914 983 DBREF 4PZO B 914 983 UNP Q8NDX5 PHC3_HUMAN 914 983 DBREF 4PZO C 914 983 UNP Q8NDX5 PHC3_HUMAN 914 983 DBREF 4PZO D 914 983 UNP Q8NDX5 PHC3_HUMAN 914 983 DBREF 4PZO E 914 983 UNP Q8NDX5 PHC3_HUMAN 914 983 DBREF 4PZO F 914 983 UNP Q8NDX5 PHC3_HUMAN 914 983 SEQADV 4PZO MET A 909 UNP Q8NDX5 INITIATING METHIONINE SEQADV 4PZO GLU A 910 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO LYS A 911 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO THR A 912 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO ARG A 913 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO ARG A 967 UNP Q8NDX5 LEU 967 ENGINEERED MUTATION SEQADV 4PZO ARG A 984 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS A 985 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS A 986 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS A 987 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS A 988 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS A 989 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS A 990 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO MET B 909 UNP Q8NDX5 INITIATING METHIONINE SEQADV 4PZO GLU B 910 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO LYS B 911 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO THR B 912 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO ARG B 913 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO ARG B 967 UNP Q8NDX5 LEU 967 ENGINEERED MUTATION SEQADV 4PZO ARG B 984 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS B 985 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS B 986 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS B 987 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS B 988 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS B 989 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS B 990 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO MET C 909 UNP Q8NDX5 INITIATING METHIONINE SEQADV 4PZO GLU C 910 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO LYS C 911 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO THR C 912 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO ARG C 913 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO ARG C 967 UNP Q8NDX5 LEU 967 ENGINEERED MUTATION SEQADV 4PZO ARG C 984 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS C 985 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS C 986 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS C 987 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS C 988 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS C 989 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS C 990 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO MET D 909 UNP Q8NDX5 INITIATING METHIONINE SEQADV 4PZO GLU D 910 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO LYS D 911 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO THR D 912 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO ARG D 913 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO ARG D 967 UNP Q8NDX5 LEU 967 ENGINEERED MUTATION SEQADV 4PZO ARG D 984 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS D 985 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS D 986 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS D 987 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS D 988 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS D 989 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS D 990 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO MET E 909 UNP Q8NDX5 INITIATING METHIONINE SEQADV 4PZO GLU E 910 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO LYS E 911 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO THR E 912 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO ARG E 913 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO ARG E 967 UNP Q8NDX5 LEU 967 ENGINEERED MUTATION SEQADV 4PZO ARG E 984 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS E 985 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS E 986 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS E 987 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS E 988 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS E 989 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS E 990 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO MET F 909 UNP Q8NDX5 INITIATING METHIONINE SEQADV 4PZO GLU F 910 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO LYS F 911 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO THR F 912 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO ARG F 913 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO ARG F 967 UNP Q8NDX5 LEU 967 ENGINEERED MUTATION SEQADV 4PZO ARG F 984 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS F 985 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS F 986 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS F 987 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS F 988 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS F 989 UNP Q8NDX5 EXPRESSION TAG SEQADV 4PZO HIS F 990 UNP Q8NDX5 EXPRESSION TAG SEQRES 1 A 82 MET GLU LYS THR ARG THR GLU PRO SER ILE TRP THR VAL SEQRES 2 A 82 ASP ASP VAL TRP ALA PHE ILE HIS SER LEU PRO GLY CYS SEQRES 3 A 82 GLN ASP ILE ALA ASP GLU PHE ARG ALA GLN GLU ILE ASP SEQRES 4 A 82 GLY GLN ALA LEU LEU LEU LEU LYS GLU ASP HIS LEU MET SEQRES 5 A 82 SER ALA MET ASN ILE LYS ARG GLY PRO ALA LEU LYS ILE SEQRES 6 A 82 CME ALA ARG ILE ASN SER LEU LYS GLU SER ARG HIS HIS SEQRES 7 A 82 HIS HIS HIS HIS SEQRES 1 B 82 MET GLU LYS THR ARG THR GLU PRO SER ILE TRP THR VAL SEQRES 2 B 82 ASP ASP VAL TRP ALA PHE ILE HIS SER LEU PRO GLY CYS SEQRES 3 B 82 GLN ASP ILE ALA ASP GLU PHE ARG ALA GLN GLU ILE ASP SEQRES 4 B 82 GLY GLN ALA LEU LEU LEU LEU LYS GLU ASP HIS LEU MET SEQRES 5 B 82 SER ALA MET ASN ILE LYS ARG GLY PRO ALA LEU LYS ILE SEQRES 6 B 82 CME ALA ARG ILE ASN SER LEU LYS GLU SER ARG HIS HIS SEQRES 7 B 82 HIS HIS HIS HIS SEQRES 1 C 82 MET GLU LYS THR ARG THR GLU PRO SER ILE TRP THR VAL SEQRES 2 C 82 ASP ASP VAL TRP ALA PHE ILE HIS SER LEU PRO GLY CYS SEQRES 3 C 82 GLN ASP ILE ALA ASP GLU PHE ARG ALA GLN GLU ILE ASP SEQRES 4 C 82 GLY GLN ALA LEU LEU LEU LEU LYS GLU ASP HIS LEU MET SEQRES 5 C 82 SER ALA MET ASN ILE LYS ARG GLY PRO ALA LEU LYS ILE SEQRES 6 C 82 CME ALA ARG ILE ASN SER LEU LYS GLU SER ARG HIS HIS SEQRES 7 C 82 HIS HIS HIS HIS SEQRES 1 D 82 MET GLU LYS THR ARG THR GLU PRO SER ILE TRP THR VAL SEQRES 2 D 82 ASP ASP VAL TRP ALA PHE ILE HIS SER LEU PRO GLY CYS SEQRES 3 D 82 GLN ASP ILE ALA ASP GLU PHE ARG ALA GLN GLU ILE ASP SEQRES 4 D 82 GLY GLN ALA LEU LEU LEU LEU LYS GLU ASP HIS LEU MET SEQRES 5 D 82 SER ALA MET ASN ILE LYS ARG GLY PRO ALA LEU LYS ILE SEQRES 6 D 82 CME ALA ARG ILE ASN SER LEU LYS GLU SER ARG HIS HIS SEQRES 7 D 82 HIS HIS HIS HIS SEQRES 1 E 82 MET GLU LYS THR ARG THR GLU PRO SER ILE TRP THR VAL SEQRES 2 E 82 ASP ASP VAL TRP ALA PHE ILE HIS SER LEU PRO GLY CYS SEQRES 3 E 82 GLN ASP ILE ALA ASP GLU PHE ARG ALA GLN GLU ILE ASP SEQRES 4 E 82 GLY GLN ALA LEU LEU LEU LEU LYS GLU ASP HIS LEU MET SEQRES 5 E 82 SER ALA MET ASN ILE LYS ARG GLY PRO ALA LEU LYS ILE SEQRES 6 E 82 CME ALA ARG ILE ASN SER LEU LYS GLU SER ARG HIS HIS SEQRES 7 E 82 HIS HIS HIS HIS SEQRES 1 F 82 MET GLU LYS THR ARG THR GLU PRO SER ILE TRP THR VAL SEQRES 2 F 82 ASP ASP VAL TRP ALA PHE ILE HIS SER LEU PRO GLY CYS SEQRES 3 F 82 GLN ASP ILE ALA ASP GLU PHE ARG ALA GLN GLU ILE ASP SEQRES 4 F 82 GLY GLN ALA LEU LEU LEU LEU LYS GLU ASP HIS LEU MET SEQRES 5 F 82 SER ALA MET ASN ILE LYS ARG GLY PRO ALA LEU LYS ILE SEQRES 6 F 82 CME ALA ARG ILE ASN SER LEU LYS GLU SER ARG HIS HIS SEQRES 7 F 82 HIS HIS HIS HIS MODRES 4PZO CME A 974 CYS S,S-(2-HYDROXYETHYL)THIOCYSTEINE MODRES 4PZO CME B 974 CYS S,S-(2-HYDROXYETHYL)THIOCYSTEINE MODRES 4PZO CME C 974 CYS S,S-(2-HYDROXYETHYL)THIOCYSTEINE MODRES 4PZO CME D 974 CYS S,S-(2-HYDROXYETHYL)THIOCYSTEINE MODRES 4PZO CME E 974 CYS S,S-(2-HYDROXYETHYL)THIOCYSTEINE MODRES 4PZO CME F 974 CYS S,S-(2-HYDROXYETHYL)THIOCYSTEINE HET CME A 974 10 HET CME B 974 10 HET CME C 974 10 HET CME D 974 10 HET CME E 974 10 HET CME F 974 10 HETNAM CME S,S-(2-HYDROXYETHYL)THIOCYSTEINE FORMUL 1 CME 6(C5 H11 N O3 S2) FORMUL 7 HOH *107(H2 O) HELIX 1 1 GLU A 915 TRP A 919 5 5 HELIX 2 2 THR A 920 SER A 930 1 11 HELIX 3 3 CYS A 934 GLN A 944 1 11 HELIX 4 4 ASP A 947 LEU A 953 1 7 HELIX 5 5 LYS A 955 MET A 960 1 6 HELIX 6 6 LYS A 966 SER A 983 1 18 HELIX 7 7 GLU B 915 TRP B 919 5 5 HELIX 8 8 THR B 920 LEU B 931 1 12 HELIX 9 9 ILE B 937 GLN B 944 1 8 HELIX 10 10 ASP B 947 LEU B 954 1 8 HELIX 11 11 LYS B 955 ASN B 964 1 10 HELIX 12 12 LYS B 966 LYS B 981 1 16 HELIX 13 13 GLU C 915 TRP C 919 5 5 HELIX 14 14 THR C 920 SER C 930 1 11 HELIX 15 15 CYS C 934 GLN C 944 1 11 HELIX 16 16 ASP C 947 LEU C 952 1 6 HELIX 17 17 LYS C 955 SER C 961 1 7 HELIX 18 18 LYS C 966 LYS C 981 1 16 HELIX 19 19 GLU D 915 TRP D 919 5 5 HELIX 20 20 THR D 920 SER D 930 1 11 HELIX 21 21 ASP D 936 GLN D 944 1 9 HELIX 22 22 ASP D 947 LEU D 954 1 8 HELIX 23 23 LYS D 955 MET D 960 1 6 HELIX 24 24 LYS D 966 LYS D 981 1 16 HELIX 25 25 GLU E 915 TRP E 919 5 5 HELIX 26 26 THR E 920 SER E 930 1 11 HELIX 27 27 ILE E 937 GLN E 944 1 8 HELIX 28 28 ASP E 947 LEU E 954 1 8 HELIX 29 29 LYS E 955 ALA E 962 1 8 HELIX 30 30 LYS E 966 LYS E 981 1 16 HELIX 31 31 GLU F 915 TRP F 919 5 5 HELIX 32 32 THR F 920 SER F 930 1 11 HELIX 33 33 CYS F 934 GLN F 944 1 11 HELIX 34 34 ASP F 947 LEU F 952 1 6 HELIX 35 35 LYS F 955 SER F 961 1 7 HELIX 36 36 LYS F 966 LYS F 981 1 16 LINK C ILE A 973 N CME A 974 1555 1555 1.33 LINK C CME A 974 N ALA A 975 1555 1555 1.33 LINK C ILE B 973 N CME B 974 1555 1555 1.33 LINK C CME B 974 N ALA B 975 1555 1555 1.33 LINK C ILE C 973 N CME C 974 1555 1555 1.33 LINK C CME C 974 N ALA C 975 1555 1555 1.33 LINK C ILE D 973 N CME D 974 1555 1555 1.33 LINK C CME D 974 N ALA D 975 1555 1555 1.33 LINK C ILE E 973 N CME E 974 1555 1555 1.33 LINK C CME E 974 N ALA E 975 1555 1555 1.33 LINK C ILE F 973 N CME F 974 1555 1555 1.33 LINK C CME F 974 N ALA F 975 1555 1555 1.33 CRYST1 123.944 51.745 124.020 90.00 119.71 90.00 C 1 2 1 24 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 0.008068 0.000000 0.004603 0.00000 SCALE2 0.000000 0.019326 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009283 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 NoAdj-H: A 974 CME H2 : A 974 CME N : A 973 ILE C :(H bumps) USER MOD NoAdj-H: B 974 CME H2 : B 974 CME N : B 973 ILE C :(H bumps) USER MOD NoAdj-H: C 974 CME H2 : C 974 CME N : C 973 ILE C :(H bumps) USER MOD NoAdj-H: D 974 CME H2 : D 974 CME N : D 973 ILE C :(H bumps) USER MOD NoAdj-H: E 974 CME H2 : E 974 CME N : E 973 ILE C :(H bumps) USER MOD NoAdj-H: F 974 CME H2 : F 974 CME N : F 973 ILE C :(H bumps) USER MOD Set 1.1: F 974 CME OH : rot 87:sc= 1.72 USER MOD Set 1.2: F 978 ASN : amide:sc= 1.03 K(o=3.3,f=-1.6) USER MOD Set 1.3: F 981 LYS NZ :NH3+ 170:sc= 0.507 (180deg=0) USER MOD Set 2.1: E 974 CME OH : rot 52:sc= 1.01 USER MOD Set 2.2: E 978 ASN : amide:sc= 0.769 K(o=1.9,f=-3.7!) USER MOD Set 2.3: E 981 LYS NZ :NH3+ 154:sc= 0.0788 (180deg=0.00304) USER MOD Set 3.1: D 974 CME OH : rot -59:sc= 0.944 USER MOD Set 3.2: D 978 ASN : amide:sc= 1.08 K(o=2,f=-6.1!) USER MOD Set 4.1: C 974 CME OH : rot -114:sc= 1.87 USER MOD Set 4.2: C 978 ASN : amide:sc= 0.993 K(o=3.6,f=-1.4) USER MOD Set 4.3: C 981 LYS NZ :NH3+ 157:sc= 0.715 (180deg=0) USER MOD Set 5.1: C 955 LYS NZ :NH3+ 168:sc= -0.0142 (180deg=-0.0925) USER MOD Set 5.2: C 958 HIS : no HD1:sc= 0.884 K(o=0.87,f=-6!) USER MOD Set 6.1: B 974 CME OH : rot 61:sc= 0.99 USER MOD Set 6.2: B 978 ASN : amide:sc= 0.387 K(o=1.5,f=-4.5!) USER MOD Set 6.3: B 981 LYS NZ :NH3+ 146:sc= 0.103 (180deg=0) USER MOD Set 7.1: A 974 CME OH : rot -108:sc= 0.899 USER MOD Set 7.2: A 978 ASN : amide:sc= 0.771 K(o=2.4,f=-1.1) USER MOD Set 7.3: A 981 LYS NZ :NH3+ -151:sc= 0.731 (180deg=0.406) USER MOD Set 8.1: A 955 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.2: A 958 HIS : no HD1:sc= -0.984! C(o=-0.98!,f=-12!) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 917 SER OG : rot 180:sc= -0.85 USER MOD Single : A 920 THR OG1 : rot 180:sc= 0 USER MOD Single : A 929 HIS : no HD1:sc= -0.742 X(o=-0.74,f=-1.2) USER MOD Single : A 930 SER OG : rot -50:sc= 1.3 USER MOD Single : A 934 CYS SG : rot 54:sc= 0.0602 USER MOD Single : A 935 GLN : amide:sc= -0.312 K(o=-0.31,f=-1.9) USER MOD Single : A 944 GLN : amide:sc= 0.397 K(o=0.4,f=-3.4!) USER MOD Single : A 949 GLN : amide:sc=-0.00522 X(o=-0.0052,f=-0.00099) USER MOD Single : A 960 MET CE :methyl -170:sc= -2.42! (180deg=-3.19!) USER MOD Single : A 961 SER OG : rot -66:sc= 1.2 USER MOD Single : A 963 MET CE :methyl -114:sc= 0 (180deg=-0.82) USER MOD Single : A 964 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 966 LYS NZ :NH3+ 168:sc= -0.0372 (180deg=-0.158) USER MOD Single : A 972 LYS NZ :NH3+ -161:sc= 0.764 (180deg=0.579) USER MOD Single : A 979 SER OG : rot 180:sc= 0 USER MOD Single : A 983 SER OG : rot 180:sc= 0 USER MOD Single : B 914 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : B 917 SER OG : rot -142:sc= 0.507 USER MOD Single : B 920 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : B 929 HIS : no HD1:sc= -0.0398 X(o=-0.04,f=-0.45) USER MOD Single : B 930 SER OG : rot -73:sc= 1.36 USER MOD Single : B 934 CYS SG : rot 54:sc= 0.0369 USER MOD Single : B 935 GLN : amide:sc= -0.0577 K(o=-0.058,f=-1.2) USER MOD Single : B 944 GLN : amide:sc= -0.119 K(o=-0.12,f=-3.6) USER MOD Single : B 949 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 955 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 958 HIS : no HD1:sc= 0.749 K(o=0.75,f=-4.7!) USER MOD Single : B 960 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 961 SER OG : rot 139:sc= 0.528 USER MOD Single : B 963 MET CE :methyl 170:sc= -0.368 (180deg=-0.587) USER MOD Single : B 964 ASN : amide:sc= -1.75! C(o=-1.7!,f=-2.2!) USER MOD Single : B 966 LYS NZ :NH3+ 172:sc=-0.00666 (180deg=-0.0665) USER MOD Single : B 972 LYS NZ :NH3+ 160:sc= 3.27 (180deg=2.47) USER MOD Single : B 979 SER OG : rot 71:sc= 0.0382 USER MOD Single : B 983 SER OG : rot 54:sc= 0.0918 USER MOD Single : C 912 THR OG1 : rot -30:sc= 0.425 USER MOD Single : C 914 THR OG1 : rot -30:sc= 0.0738 USER MOD Single : C 917 SER OG : rot 180:sc= -0.0736 USER MOD Single : C 920 THR OG1 : rot 180:sc= 0 USER MOD Single : C 929 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.2) USER MOD Single : C 930 SER OG : rot -48:sc= 1.77 USER MOD Single : C 934 CYS SG : rot 56:sc= -0.155 USER MOD Single : C 935 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 944 GLN : amide:sc= 0.368 K(o=0.37,f=-1.5) USER MOD Single : C 949 GLN : amide:sc= -0.372 K(o=-0.37,f=-4.2!) USER MOD Single : C 960 MET CE :methyl -138:sc= -1.79 (180deg=-2.19!) USER MOD Single : C 961 SER OG : rot 180:sc= 0 USER MOD Single : C 963 MET CE :methyl 156:sc= -6.16! (180deg=-7.09!) USER MOD Single : C 964 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.44) USER MOD Single : C 966 LYS NZ :NH3+ 167:sc= -0.0258 (180deg=-0.194) USER MOD Single : C 972 LYS NZ :NH3+ -128:sc= 2.38 (180deg=-1.13) USER MOD Single : C 979 SER OG : rot -23:sc= 0.26 USER MOD Single : D 914 THR OG1 : rot 24:sc= 0.06 USER MOD Single : D 917 SER OG : rot 180:sc= 0 USER MOD Single : D 920 THR OG1 : rot -99:sc= 0.228 USER MOD Single : D 929 HIS : no HD1:sc= -0.666 K(o=-0.67,f=-1.9) USER MOD Single : D 930 SER OG : rot -38:sc= 1.28 USER MOD Single : D 934 CYS SG : rot 180:sc= -0.132 USER MOD Single : D 935 GLN : amide:sc= 0.0915 X(o=0.092,f=0) USER MOD Single : D 944 GLN : amide:sc= -0.128 K(o=-0.13,f=-3!) USER MOD Single : D 949 GLN : amide:sc= 0.944 K(o=0.94,f=-1.5) USER MOD Single : D 955 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 958 HIS : no HD1:sc= -0.0353! C(o=-0.035!,f=-11!) USER MOD Single : D 960 MET CE :methyl -106:sc= -0.397 (180deg=-1.62) USER MOD Single : D 961 SER OG : rot 180:sc= 0 USER MOD Single : D 963 MET CE :methyl 139:sc= -0.136 (180deg=-1.27) USER MOD Single : D 964 ASN : amide:sc= -0.0765 K(o=-0.077,f=-0.66) USER MOD Single : D 966 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 972 LYS NZ :NH3+ 153:sc= 0.261 (180deg=0.016) USER MOD Single : D 979 SER OG : rot 180:sc= 0 USER MOD Single : D 981 LYS NZ :NH3+ 158:sc= 0.173 (180deg=0.087) USER MOD Single : D 983 SER OG : rot 180:sc= 0 USER MOD Single : E 912 THR OG1 : rot 41:sc= 1.23 USER MOD Single : E 914 THR OG1 : rot 180:sc= 0 USER MOD Single : E 917 SER OG : rot 180:sc= 0 USER MOD Single : E 920 THR OG1 : rot 180:sc= 0.0868 USER MOD Single : E 929 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : E 930 SER OG : rot -62:sc= 1.29 USER MOD Single : E 934 CYS SG : rot 170:sc= -0.168 USER MOD Single : E 935 GLN : amide:sc= -0.0469 K(o=-0.047,f=-1.5!) USER MOD Single : E 944 GLN : amide:sc= -3.21! K(o=-3.2!,f=-1.7) USER MOD Single : E 949 GLN : amide:sc= -0.0248 K(o=-0.025,f=-1.2) USER MOD Single : E 955 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 958 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-4!) USER MOD Single : E 960 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : E 961 SER OG : rot -131:sc= 0.369 USER MOD Single : E 963 MET CE :methyl -111:sc= -4.59! (180deg=-10.8!) USER MOD Single : E 964 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.3) USER MOD Single : E 966 LYS NZ :NH3+ -124:sc= -0.137 (180deg=-0.539) USER MOD Single : E 972 LYS NZ :NH3+ 159:sc= 1.74 (180deg=0.9) USER MOD Single : E 979 SER OG : rot 73:sc= 0.0297 USER MOD Single : E 983 SER OG : rot 180:sc= 0 USER MOD Single : F 914 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : F 917 SER OG : rot -16:sc= 1.25 USER MOD Single : F 920 THR OG1 : rot -85:sc= 0.464 USER MOD Single : F 929 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.51) USER MOD Single : F 930 SER OG : rot -51:sc= 1.55 USER MOD Single : F 934 CYS SG : rot 49:sc= 0.0864 USER MOD Single : F 935 GLN : amide:sc= -0.004 X(o=-0.004,f=-0.0065) USER MOD Single : F 944 GLN : amide:sc= 0.691 K(o=0.69,f=-0.5) USER MOD Single : F 949 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : F 955 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 958 HIS : no HD1:sc= 0.851 K(o=0.85,f=-5.3!) USER MOD Single : F 960 MET CE :methyl -159:sc= -0.986 (180deg=-1.65) USER MOD Single : F 961 SER OG : rot 180:sc= -0.141 USER MOD Single : F 963 MET CE :methyl 149:sc= 0 (180deg=-0.102) USER MOD Single : F 964 ASN : amide:sc= 0.715 K(o=0.72,f=-1.5) USER MOD Single : F 966 LYS NZ :NH3+ -167:sc= 0.891 (180deg=0.823) USER MOD Single : F 972 LYS NZ :NH3+ 156:sc= 1.94 (180deg=1.39) USER MOD Single : F 979 SER OG : rot -29:sc= 0.0159 USER MOD Single : F 983 SER OG : rot -49:sc= 0.658 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 914 48.993 -8.372 18.272 1.00 84.50 N ATOM 2 CA THR A 914 48.139 -9.319 17.566 1.00 94.16 C ATOM 3 C THR A 914 46.948 -9.733 18.423 1.00 84.94 C ATOM 4 O THR A 914 45.842 -9.924 17.916 1.00100.24 O ATOM 5 CB THR A 914 48.920 -10.579 17.146 1.00107.42 C ATOM 6 OG1 THR A 914 48.022 -11.525 16.553 1.00126.48 O ATOM 7 CG2 THR A 914 49.594 -11.214 18.353 1.00 90.30 C ATOM 0 HA THR A 914 47.818 -8.867 16.770 1.00 94.16 H new ATOM 0 HB THR A 914 49.600 -10.323 16.504 1.00107.42 H new ATOM 0 HG1 THR A 914 48.449 -12.211 16.323 1.00126.48 H new ATOM 0 HG21 THR A 914 50.081 -12.005 18.073 1.00 90.30 H new ATOM 0 HG22 THR A 914 50.210 -10.579 18.751 1.00 90.30 H new ATOM 0 HG23 THR A 914 48.921 -11.463 19.006 1.00 90.30 H new ATOM 8 N GLU A 915 47.180 -9.869 19.724 1.00 64.55 N ATOM 9 CA GLU A 915 46.127 -10.260 20.654 1.00 53.99 C ATOM 10 C GLU A 915 45.103 -9.144 20.828 1.00 57.55 C ATOM 11 O GLU A 915 45.456 -8.006 21.138 1.00 51.67 O ATOM 12 CB GLU A 915 46.724 -10.641 22.010 1.00 48.25 C ATOM 13 CG GLU A 915 45.695 -10.808 23.116 1.00 70.21 C ATOM 14 CD GLU A 915 45.046 -12.178 23.106 1.00 94.57 C ATOM 15 OE1 GLU A 915 45.645 -13.117 22.542 1.00 97.50 O ATOM 16 OE2 GLU A 915 43.936 -12.315 23.663 1.00 83.46 O1+ ATOM 0 H GLU A 915 47.947 -9.738 20.091 1.00 64.55 H new ATOM 0 HA GLU A 915 45.674 -11.032 20.281 1.00 53.99 H new ATOM 0 HB2 GLU A 915 47.218 -11.470 21.913 1.00 48.25 H new ATOM 0 HB3 GLU A 915 47.362 -9.960 22.275 1.00 48.25 H new ATOM 0 HG2 GLU A 915 46.122 -10.662 23.975 1.00 70.21 H new ATOM 0 HG3 GLU A 915 45.010 -10.128 23.021 1.00 70.21 H new ATOM 17 N PRO A 916 43.832 -9.477 20.626 1.00 49.44 N ATOM 18 CA PRO A 916 42.747 -8.498 20.761 1.00 32.36 C ATOM 19 C PRO A 916 42.797 -7.699 22.064 1.00 35.91 C ATOM 20 O PRO A 916 42.539 -6.501 22.041 1.00 38.92 O ATOM 21 CB PRO A 916 41.482 -9.367 20.702 1.00 32.65 C ATOM 22 CG PRO A 916 41.952 -10.774 20.931 1.00 49.69 C ATOM 23 CD PRO A 916 43.317 -10.823 20.338 1.00 48.73 C ATOM 0 HA PRO A 916 42.796 -7.818 20.071 1.00 32.36 H new ATOM 0 HB2 PRO A 916 40.842 -9.098 21.379 1.00 32.65 H new ATOM 0 HB3 PRO A 916 41.039 -9.282 19.843 1.00 32.65 H new ATOM 0 HG2 PRO A 916 41.972 -10.989 21.877 1.00 49.69 H new ATOM 0 HG3 PRO A 916 41.361 -11.416 20.507 1.00 49.69 H new ATOM 0 HD2 PRO A 916 43.863 -11.514 20.744 1.00 48.73 H new ATOM 0 HD3 PRO A 916 43.291 -11.005 19.385 1.00 48.73 H new ATOM 24 N SER A 917 43.145 -8.345 23.172 1.00 23.34 N ATOM 25 CA SER A 917 43.137 -7.686 24.476 1.00 35.18 C ATOM 26 C SER A 917 44.103 -6.502 24.564 1.00 35.57 C ATOM 27 O SER A 917 43.911 -5.600 25.380 1.00 26.62 O ATOM 28 CB SER A 917 43.469 -8.695 25.575 1.00 46.28 C ATOM 29 OG SER A 917 44.746 -9.272 25.362 1.00 47.50 O ATOM 0 H SER A 917 43.390 -9.169 23.191 1.00 23.34 H new ATOM 0 HA SER A 917 42.242 -7.332 24.598 1.00 35.18 H new ATOM 0 HB2 SER A 917 43.448 -8.256 26.440 1.00 46.28 H new ATOM 0 HB3 SER A 917 42.794 -9.392 25.595 1.00 46.28 H new ATOM 0 HG SER A 917 44.911 -9.822 25.975 1.00 47.50 H new ATOM 30 N ILE A 918 45.135 -6.505 23.725 1.00 33.87 N ATOM 31 CA ILE A 918 46.134 -5.440 23.751 1.00 35.01 C ATOM 32 C ILE A 918 46.003 -4.496 22.558 1.00 37.81 C ATOM 33 O ILE A 918 46.863 -3.643 22.337 1.00 34.51 O ATOM 34 CB ILE A 918 47.568 -6.007 23.781 1.00 26.53 C ATOM 35 CG1 ILE A 918 47.941 -6.620 22.430 1.00 41.66 C ATOM 36 CG2 ILE A 918 47.710 -7.030 24.896 1.00 43.24 C ATOM 37 CD1 ILE A 918 49.378 -7.093 22.346 1.00 50.00 C ATOM 0 H ILE A 918 45.275 -7.114 23.134 1.00 33.87 H new ATOM 0 HA ILE A 918 45.967 -4.940 24.565 1.00 35.01 H new ATOM 0 HB ILE A 918 48.181 -5.276 23.956 1.00 26.53 H new ATOM 0 HG12 ILE A 918 47.352 -7.370 22.251 1.00 41.66 H new ATOM 0 HG13 ILE A 918 47.784 -5.964 21.733 1.00 41.66 H new ATOM 0 HG21 ILE A 918 48.616 -7.378 24.903 1.00 43.24 H new ATOM 0 HG22 ILE A 918 47.519 -6.608 25.749 1.00 43.24 H new ATOM 0 HG23 ILE A 918 47.086 -7.758 24.749 1.00 43.24 H new ATOM 0 HD11 ILE A 918 49.544 -7.468 21.467 1.00 50.00 H new ATOM 0 HD12 ILE A 918 49.975 -6.343 22.495 1.00 50.00 H new ATOM 0 HD13 ILE A 918 49.536 -7.771 23.022 1.00 50.00 H new ATOM 38 N TRP A 919 44.920 -4.644 21.800 1.00 39.30 N ATOM 39 CA TRP A 919 44.657 -3.773 20.658 1.00 32.23 C ATOM 40 C TRP A 919 44.329 -2.351 21.094 1.00 35.81 C ATOM 41 O TRP A 919 43.659 -2.138 22.106 1.00 31.39 O ATOM 42 CB TRP A 919 43.507 -4.325 19.814 1.00 42.50 C ATOM 43 CG TRP A 919 43.885 -5.475 18.941 1.00 43.90 C ATOM 44 CD1 TRP A 919 45.112 -6.061 18.837 1.00 48.62 C ATOM 45 CD2 TRP A 919 43.025 -6.179 18.040 1.00 50.85 C ATOM 46 NE1 TRP A 919 45.069 -7.091 17.927 1.00 46.95 N ATOM 47 CE2 TRP A 919 43.797 -7.183 17.423 1.00 48.25 C ATOM 48 CE3 TRP A 919 41.675 -6.059 17.695 1.00 51.83 C ATOM 49 CZ2 TRP A 919 43.266 -8.061 16.481 1.00 60.98 C ATOM 50 CZ3 TRP A 919 41.148 -6.932 16.760 1.00 49.30 C ATOM 51 CH2 TRP A 919 41.942 -7.920 16.164 1.00 51.60 C ATOM 0 H TRP A 919 44.321 -5.247 21.932 1.00 39.30 H new ATOM 0 HA TRP A 919 45.468 -3.749 20.126 1.00 32.23 H new ATOM 0 HB2 TRP A 919 42.790 -4.603 20.405 1.00 42.50 H new ATOM 0 HB3 TRP A 919 43.156 -3.612 19.258 1.00 42.50 H new ATOM 0 HD1 TRP A 919 45.868 -5.802 19.312 1.00 48.62 H new ATOM 0 HE1 TRP A 919 45.731 -7.595 17.710 1.00 46.95 H new ATOM 0 HE3 TRP A 919 41.142 -5.405 18.086 1.00 51.83 H new ATOM 0 HZ2 TRP A 919 43.791 -8.718 16.083 1.00 60.98 H new ATOM 0 HZ3 TRP A 919 40.251 -6.862 16.523 1.00 49.30 H new ATOM 0 HH2 TRP A 919 41.561 -8.493 15.539 1.00 51.60 H new ATOM 52 N THR A 920 44.799 -1.380 20.319 1.00 37.05 N ATOM 53 CA THR A 920 44.525 0.021 20.605 1.00 39.31 C ATOM 54 C THR A 920 43.279 0.478 19.865 1.00 34.48 C ATOM 55 O THR A 920 42.654 -0.303 19.147 1.00 38.57 O ATOM 56 CB THR A 920 45.707 0.924 20.214 1.00 38.25 C ATOM 57 OG1 THR A 920 45.968 0.790 18.812 1.00 42.65 O ATOM 58 CG2 THR A 920 46.950 0.536 20.993 1.00 43.42 C ATOM 0 H THR A 920 45.281 -1.513 19.619 1.00 37.05 H new ATOM 0 HA THR A 920 44.385 0.097 21.562 1.00 39.31 H new ATOM 0 HB THR A 920 45.478 1.844 20.421 1.00 38.25 H new ATOM 0 HG1 THR A 920 46.613 1.284 18.598 1.00 42.65 H new ATOM 0 HG21 THR A 920 47.686 1.113 20.736 1.00 43.42 H new ATOM 0 HG22 THR A 920 46.780 0.633 21.943 1.00 43.42 H new ATOM 0 HG23 THR A 920 47.180 -0.386 20.798 1.00 43.42 H new ATOM 59 N VAL A 921 42.924 1.746 20.042 1.00 35.34 N ATOM 60 CA VAL A 921 41.770 2.324 19.366 1.00 40.14 C ATOM 61 C VAL A 921 41.976 2.306 17.852 1.00 29.56 C ATOM 62 O VAL A 921 41.036 2.072 17.091 1.00 41.22 O ATOM 63 CB VAL A 921 41.504 3.767 19.850 1.00 35.68 C ATOM 64 CG1 VAL A 921 40.371 4.401 19.069 1.00 30.71 C ATOM 65 CG2 VAL A 921 41.191 3.774 21.340 1.00 31.94 C ATOM 0 H VAL A 921 43.344 2.293 20.556 1.00 35.34 H new ATOM 0 HA VAL A 921 40.995 1.784 19.585 1.00 40.14 H new ATOM 0 HB VAL A 921 42.306 4.291 19.696 1.00 35.68 H new ATOM 0 HG11 VAL A 921 40.222 5.304 19.390 1.00 30.71 H new ATOM 0 HG12 VAL A 921 40.601 4.426 18.127 1.00 30.71 H new ATOM 0 HG13 VAL A 921 39.563 3.879 19.190 1.00 30.71 H new ATOM 0 HG21 VAL A 921 41.026 4.684 21.632 1.00 31.94 H new ATOM 0 HG22 VAL A 921 40.403 3.233 21.508 1.00 31.94 H new ATOM 0 HG23 VAL A 921 41.944 3.409 21.831 1.00 31.94 H new ATOM 66 N ASP A 922 43.214 2.536 17.424 1.00 41.17 N ATOM 67 CA ASP A 922 43.557 2.498 16.005 1.00 29.67 C ATOM 68 C ASP A 922 43.442 1.083 15.443 1.00 32.48 C ATOM 69 O ASP A 922 42.937 0.887 14.338 1.00 38.67 O ATOM 70 CB ASP A 922 44.973 3.035 15.776 1.00 39.78 C ATOM 71 CG ASP A 922 45.098 4.514 16.093 1.00 45.39 C ATOM 72 OD1 ASP A 922 44.071 5.223 16.050 1.00 35.33 O ATOM 73 OD2 ASP A 922 46.227 4.970 16.378 1.00 31.29 O1+ ATOM 0 H ASP A 922 43.875 2.717 17.944 1.00 41.17 H new ATOM 0 HA ASP A 922 42.924 3.065 15.537 1.00 29.67 H new ATOM 0 HB2 ASP A 922 45.597 2.536 16.327 1.00 39.78 H new ATOM 0 HB3 ASP A 922 45.227 2.884 14.852 1.00 39.78 H new ATOM 74 N ASP A 923 43.914 0.101 16.206 1.00 27.83 N ATOM 75 CA ASP A 923 43.848 -1.292 15.779 1.00 34.52 C ATOM 76 C ASP A 923 42.404 -1.759 15.638 1.00 34.50 C ATOM 77 O ASP A 923 42.072 -2.512 14.724 1.00 32.16 O ATOM 78 CB ASP A 923 44.596 -2.193 16.762 1.00 39.85 C ATOM 79 CG ASP A 923 46.094 -1.966 16.738 1.00 43.87 C ATOM 80 OD1 ASP A 923 46.607 -1.473 15.713 1.00 39.61 O ATOM 81 OD2 ASP A 923 46.759 -2.291 17.744 1.00 49.01 O1+ ATOM 0 H ASP A 923 44.277 0.221 16.976 1.00 27.83 H new ATOM 0 HA ASP A 923 44.274 -1.353 14.910 1.00 34.52 H new ATOM 0 HB2 ASP A 923 44.263 -2.034 17.659 1.00 39.85 H new ATOM 0 HB3 ASP A 923 44.410 -3.121 16.551 1.00 39.85 H new ATOM 82 N VAL A 924 41.551 -1.305 16.550 1.00 40.29 N ATOM 83 CA VAL A 924 40.134 -1.640 16.504 1.00 34.85 C ATOM 84 C VAL A 924 39.465 -0.975 15.305 1.00 40.00 C ATOM 85 O VAL A 924 38.628 -1.582 14.635 1.00 45.51 O ATOM 86 CB VAL A 924 39.418 -1.224 17.806 1.00 28.20 C ATOM 87 CG1 VAL A 924 37.910 -1.213 17.624 1.00 28.02 C ATOM 88 CG2 VAL A 924 39.812 -2.156 18.937 1.00 36.56 C ATOM 0 H VAL A 924 41.775 -0.798 17.208 1.00 40.29 H new ATOM 0 HA VAL A 924 40.062 -2.603 16.412 1.00 34.85 H new ATOM 0 HB VAL A 924 39.695 -0.322 18.031 1.00 28.20 H new ATOM 0 HG11 VAL A 924 37.485 -0.949 18.455 1.00 28.02 H new ATOM 0 HG12 VAL A 924 37.673 -0.583 16.926 1.00 28.02 H new ATOM 0 HG13 VAL A 924 37.607 -2.100 17.375 1.00 28.02 H new ATOM 0 HG21 VAL A 924 39.358 -1.887 19.751 1.00 36.56 H new ATOM 0 HG22 VAL A 924 39.559 -3.065 18.711 1.00 36.56 H new ATOM 0 HG23 VAL A 924 40.771 -2.112 19.073 1.00 36.56 H new ATOM 89 N TRP A 925 39.851 0.268 15.028 1.00 40.55 N ATOM 90 CA TRP A 925 39.312 0.993 13.884 1.00 26.50 C ATOM 91 C TRP A 925 39.573 0.243 12.585 1.00 31.70 C ATOM 92 O TRP A 925 38.669 0.062 11.775 1.00 37.58 O ATOM 93 CB TRP A 925 39.908 2.397 13.799 1.00 29.45 C ATOM 94 CG TRP A 925 39.447 3.156 12.590 1.00 35.62 C ATOM 95 CD1 TRP A 925 38.326 3.924 12.483 1.00 29.49 C ATOM 96 CD2 TRP A 925 40.096 3.214 11.313 1.00 42.45 C ATOM 97 NE1 TRP A 925 38.235 4.458 11.221 1.00 33.08 N ATOM 98 CE2 TRP A 925 39.310 4.038 10.483 1.00 34.34 C ATOM 99 CE3 TRP A 925 41.264 2.651 10.792 1.00 49.03 C ATOM 100 CZ2 TRP A 925 39.654 4.312 9.162 1.00 41.84 C ATOM 101 CZ3 TRP A 925 41.605 2.924 9.480 1.00 48.92 C ATOM 102 CH2 TRP A 925 40.802 3.747 8.680 1.00 54.13 C ATOM 0 H TRP A 925 40.425 0.709 15.492 1.00 40.55 H new ATOM 0 HA TRP A 925 38.353 1.066 14.012 1.00 26.50 H new ATOM 0 HB2 TRP A 925 39.669 2.894 14.597 1.00 29.45 H new ATOM 0 HB3 TRP A 925 40.876 2.332 13.785 1.00 29.45 H new ATOM 0 HD1 TRP A 925 37.711 4.066 13.166 1.00 29.49 H new ATOM 0 HE1 TRP A 925 37.606 4.972 10.940 1.00 33.08 H new ATOM 0 HE3 TRP A 925 41.802 2.103 11.317 1.00 49.03 H new ATOM 0 HZ2 TRP A 925 39.123 4.858 8.628 1.00 41.84 H new ATOM 0 HZ3 TRP A 925 42.380 2.555 9.123 1.00 48.92 H new ATOM 0 HH2 TRP A 925 41.056 3.913 7.801 1.00 54.13 H new ATOM 103 N ALA A 926 40.814 -0.193 12.396 1.00 34.91 N ATOM 104 CA ALA A 926 41.192 -0.932 11.197 1.00 39.74 C ATOM 105 C ALA A 926 40.422 -2.243 11.094 1.00 38.29 C ATOM 106 O ALA A 926 40.066 -2.682 10.001 1.00 53.53 O ATOM 107 CB ALA A 926 42.689 -1.196 11.189 1.00 41.75 C ATOM 0 H ALA A 926 41.456 -0.070 12.955 1.00 34.91 H new ATOM 0 HA ALA A 926 40.965 -0.389 10.426 1.00 39.74 H new ATOM 0 HB1 ALA A 926 42.927 -1.688 10.387 1.00 41.75 H new ATOM 0 HB2 ALA A 926 43.167 -0.352 11.204 1.00 41.75 H new ATOM 0 HB3 ALA A 926 42.930 -1.717 11.971 1.00 41.75 H new ATOM 108 N PHE A 927 40.166 -2.862 12.240 1.00 32.93 N ATOM 109 CA PHE A 927 39.436 -4.122 12.291 1.00 34.17 C ATOM 110 C PHE A 927 37.992 -3.953 11.823 1.00 40.16 C ATOM 111 O PHE A 927 37.509 -4.717 10.988 1.00 43.15 O ATOM 112 CB PHE A 927 39.473 -4.691 13.711 1.00 45.00 C ATOM 113 CG PHE A 927 38.656 -5.938 13.892 1.00 43.62 C ATOM 114 CD1 PHE A 927 39.097 -7.151 13.389 1.00 48.80 C ATOM 115 CD2 PHE A 927 37.457 -5.900 14.583 1.00 38.18 C ATOM 116 CE1 PHE A 927 38.349 -8.301 13.562 1.00 60.04 C ATOM 117 CE2 PHE A 927 36.705 -7.046 14.759 1.00 42.77 C ATOM 118 CZ PHE A 927 37.151 -8.247 14.249 1.00 62.88 C ATOM 0 H PHE A 927 40.410 -2.564 13.009 1.00 32.93 H new ATOM 0 HA PHE A 927 39.869 -4.744 11.686 1.00 34.17 H new ATOM 0 HB2 PHE A 927 40.394 -4.882 13.949 1.00 45.00 H new ATOM 0 HB3 PHE A 927 39.154 -4.014 14.329 1.00 45.00 H new ATOM 0 HD1 PHE A 927 39.905 -7.192 12.930 1.00 48.80 H new ATOM 0 HD2 PHE A 927 37.154 -5.093 14.933 1.00 38.18 H new ATOM 0 HE1 PHE A 927 38.652 -9.110 13.217 1.00 60.04 H new ATOM 0 HE2 PHE A 927 35.899 -7.007 15.221 1.00 42.77 H new ATOM 0 HZ PHE A 927 36.647 -9.019 14.367 1.00 62.88 H new ATOM 119 N ILE A 928 37.311 -2.946 12.363 1.00 37.08 N ATOM 120 CA ILE A 928 35.928 -2.666 11.992 1.00 27.28 C ATOM 121 C ILE A 928 35.846 -2.158 10.559 1.00 41.72 C ATOM 122 O ILE A 928 34.939 -2.521 9.810 1.00 48.91 O ATOM 123 CB ILE A 928 35.286 -1.627 12.933 1.00 32.91 C ATOM 124 CG1 ILE A 928 35.349 -2.106 14.385 1.00 29.84 C ATOM 125 CG2 ILE A 928 33.847 -1.352 12.529 1.00 28.27 C ATOM 126 CD1 ILE A 928 34.527 -3.345 14.655 1.00 33.41 C ATOM 0 H ILE A 928 37.636 -2.409 12.951 1.00 37.08 H new ATOM 0 HA ILE A 928 35.439 -3.500 12.070 1.00 27.28 H new ATOM 0 HB ILE A 928 35.788 -0.800 12.858 1.00 32.91 H new ATOM 0 HG12 ILE A 928 36.274 -2.284 14.618 1.00 29.84 H new ATOM 0 HG13 ILE A 928 35.043 -1.392 14.966 1.00 29.84 H new ATOM 0 HG21 ILE A 928 33.461 -0.697 13.132 1.00 28.27 H new ATOM 0 HG22 ILE A 928 33.825 -1.009 11.622 1.00 28.27 H new ATOM 0 HG23 ILE A 928 33.335 -2.175 12.575 1.00 28.27 H new ATOM 0 HD11 ILE A 928 34.612 -3.592 15.589 1.00 33.41 H new ATOM 0 HD12 ILE A 928 33.596 -3.166 14.451 1.00 33.41 H new ATOM 0 HD13 ILE A 928 34.846 -4.073 14.098 1.00 33.41 H new ATOM 127 N HIS A 929 36.807 -1.319 10.185 1.00 36.33 N ATOM 128 CA HIS A 929 36.844 -0.719 8.856 1.00 43.35 C ATOM 129 C HIS A 929 36.958 -1.774 7.759 1.00 43.67 C ATOM 130 O HIS A 929 36.453 -1.587 6.652 1.00 46.82 O ATOM 131 CB HIS A 929 38.012 0.264 8.759 1.00 41.42 C ATOM 132 CG HIS A 929 37.874 1.266 7.654 1.00 51.00 C ATOM 133 ND1 HIS A 929 38.502 1.123 6.439 1.00 50.94 N ATOM 134 CD2 HIS A 929 37.185 2.430 7.592 1.00 42.25 C ATOM 135 CE1 HIS A 929 38.204 2.158 5.668 1.00 60.28 C ATOM 136 NE2 HIS A 929 37.409 2.963 6.344 1.00 47.63 N ATOM 0 H HIS A 929 37.457 -1.081 10.696 1.00 36.33 H new ATOM 0 HA HIS A 929 36.008 -0.246 8.723 1.00 43.35 H new ATOM 0 HB2 HIS A 929 38.097 0.736 9.602 1.00 41.42 H new ATOM 0 HB3 HIS A 929 38.833 -0.236 8.630 1.00 41.42 H new ATOM 0 HD2 HIS A 929 36.660 2.799 8.265 1.00 42.25 H new ATOM 0 HE1 HIS A 929 38.504 2.293 4.798 1.00 60.28 H new ATOM 0 HE2 HIS A 929 37.083 3.703 6.052 1.00 47.63 H new ATOM 137 N SER A 930 37.618 -2.883 8.075 1.00 40.75 N ATOM 138 CA SER A 930 37.821 -3.958 7.110 1.00 37.11 C ATOM 139 C SER A 930 36.531 -4.722 6.836 1.00 44.75 C ATOM 140 O SER A 930 36.433 -5.458 5.854 1.00 49.66 O ATOM 141 CB SER A 930 38.897 -4.925 7.606 1.00 34.58 C ATOM 142 OG SER A 930 38.489 -5.566 8.803 1.00 52.42 O ATOM 0 H SER A 930 37.959 -3.033 8.850 1.00 40.75 H new ATOM 0 HA SER A 930 38.111 -3.549 6.280 1.00 37.11 H new ATOM 0 HB2 SER A 930 39.078 -5.591 6.924 1.00 34.58 H new ATOM 0 HB3 SER A 930 39.725 -4.443 7.759 1.00 34.58 H new ATOM 0 HG SER A 930 38.217 -4.990 9.351 1.00 52.42 H new ATOM 143 N LEU A 931 35.545 -4.548 7.709 1.00 57.63 N ATOM 144 CA LEU A 931 34.263 -5.226 7.561 1.00 41.58 C ATOM 145 C LEU A 931 33.381 -4.496 6.554 1.00 49.34 C ATOM 146 O LEU A 931 33.330 -3.266 6.549 1.00 45.56 O ATOM 147 CB LEU A 931 33.550 -5.331 8.912 1.00 48.20 C ATOM 148 CG LEU A 931 34.379 -5.877 10.078 1.00 58.68 C ATOM 149 CD1 LEU A 931 33.511 -6.073 11.316 1.00 38.14 C ATOM 150 CD2 LEU A 931 35.085 -7.173 9.694 1.00 57.51 C ATOM 0 H LEU A 931 35.599 -4.037 8.399 1.00 57.63 H new ATOM 0 HA LEU A 931 34.432 -6.122 7.230 1.00 41.58 H new ATOM 0 HB2 LEU A 931 33.227 -4.449 9.155 1.00 48.20 H new ATOM 0 HB3 LEU A 931 32.771 -5.898 8.801 1.00 48.20 H new ATOM 0 HG LEU A 931 35.062 -5.221 10.290 1.00 58.68 H new ATOM 0 HD11 LEU A 931 34.055 -6.419 12.041 1.00 38.14 H new ATOM 0 HD12 LEU A 931 33.125 -5.223 11.579 1.00 38.14 H new ATOM 0 HD13 LEU A 931 32.800 -6.702 11.117 1.00 38.14 H new ATOM 0 HD21 LEU A 931 35.602 -7.496 10.449 1.00 57.51 H new ATOM 0 HD22 LEU A 931 34.426 -7.839 9.445 1.00 57.51 H new ATOM 0 HD23 LEU A 931 35.678 -7.009 8.944 1.00 57.51 H new ATOM 151 N PRO A 932 32.685 -5.258 5.696 1.00 65.81 N ATOM 152 CA PRO A 932 31.821 -4.728 4.634 1.00 55.29 C ATOM 153 C PRO A 932 30.741 -3.779 5.150 1.00 44.43 C ATOM 154 O PRO A 932 29.912 -4.172 5.971 1.00 36.34 O ATOM 155 CB PRO A 932 31.186 -5.988 4.039 1.00 49.18 C ATOM 156 CG PRO A 932 32.156 -7.071 4.336 1.00 53.04 C ATOM 157 CD PRO A 932 32.734 -6.731 5.676 1.00 60.48 C ATOM 0 HA PRO A 932 32.325 -4.196 3.998 1.00 55.29 H new ATOM 0 HB2 PRO A 932 30.321 -6.170 4.439 1.00 49.18 H new ATOM 0 HB3 PRO A 932 31.043 -5.894 3.084 1.00 49.18 H new ATOM 0 HG2 PRO A 932 31.719 -7.937 4.353 1.00 53.04 H new ATOM 0 HG3 PRO A 932 32.848 -7.116 3.658 1.00 53.04 H new ATOM 0 HD2 PRO A 932 32.215 -7.117 6.399 1.00 60.48 H new ATOM 0 HD3 PRO A 932 33.641 -7.061 5.770 1.00 60.48 H new ATOM 158 N GLY A 933 30.762 -2.541 4.668 1.00 50.77 N ATOM 159 CA GLY A 933 29.747 -1.561 5.011 1.00 47.74 C ATOM 160 C GLY A 933 29.826 -1.048 6.435 1.00 56.53 C ATOM 161 O GLY A 933 28.875 -0.446 6.935 1.00 58.67 O ATOM 0 H GLY A 933 31.367 -2.248 4.132 1.00 50.77 H new ATOM 0 HA2 GLY A 933 29.821 -0.809 4.403 1.00 47.74 H new ATOM 0 HA3 GLY A 933 28.872 -1.955 4.869 1.00 47.74 H new ATOM 162 N CYS A 934 30.961 -1.280 7.088 1.00 47.31 N ATOM 163 CA CYS A 934 31.149 -0.856 8.470 1.00 43.30 C ATOM 164 C CYS A 934 32.174 0.267 8.583 1.00 43.56 C ATOM 165 O CYS A 934 32.620 0.598 9.681 1.00 47.66 O ATOM 166 CB CYS A 934 31.580 -2.041 9.336 1.00 44.62 C ATOM 167 SG CYS A 934 30.413 -3.416 9.370 1.00 49.65 S ATOM 0 H CYS A 934 31.638 -1.684 6.745 1.00 47.31 H new ATOM 0 HA CYS A 934 30.298 -0.517 8.788 1.00 43.30 H new ATOM 0 HB2 CYS A 934 32.435 -2.367 9.014 1.00 44.62 H new ATOM 0 HB3 CYS A 934 31.719 -1.729 10.244 1.00 44.62 H new ATOM 0 HG CYS A 934 30.166 -3.759 8.247 1.00 49.65 H new ATOM 168 N GLN A 935 32.537 0.854 7.446 1.00 41.78 N ATOM 169 CA GLN A 935 33.572 1.885 7.398 1.00 37.17 C ATOM 170 C GLN A 935 33.259 3.097 8.276 1.00 54.49 C ATOM 171 O GLN A 935 34.106 3.541 9.051 1.00 61.02 O ATOM 172 CB GLN A 935 33.799 2.342 5.954 1.00 43.58 C ATOM 173 CG GLN A 935 34.768 1.477 5.148 1.00 53.86 C ATOM 174 CD GLN A 935 34.165 0.159 4.692 1.00 63.01 C ATOM 175 OE1 GLN A 935 33.793 -0.686 5.506 1.00 68.74 O ATOM 176 NE2 GLN A 935 34.072 -0.023 3.379 1.00 57.14 N ATOM 0 H GLN A 935 32.191 0.667 6.681 1.00 41.78 H new ATOM 0 HA GLN A 935 34.378 1.478 7.752 1.00 37.17 H new ATOM 0 HB2 GLN A 935 32.944 2.359 5.496 1.00 43.58 H new ATOM 0 HB3 GLN A 935 34.133 3.253 5.966 1.00 43.58 H new ATOM 0 HG2 GLN A 935 35.065 1.975 4.371 1.00 53.86 H new ATOM 0 HG3 GLN A 935 35.554 1.296 5.687 1.00 53.86 H new ATOM 0 HE21 GLN A 935 34.342 0.590 2.840 1.00 57.14 H new ATOM 0 HE22 GLN A 935 33.742 -0.754 3.069 1.00 57.14 H new ATOM 177 N ASP A 936 32.047 3.630 8.155 1.00 48.84 N ATOM 178 CA ASP A 936 31.652 4.810 8.923 1.00 47.48 C ATOM 179 C ASP A 936 31.487 4.504 10.407 1.00 47.38 C ATOM 180 O ASP A 936 31.732 5.360 11.256 1.00 55.60 O ATOM 181 CB ASP A 936 30.353 5.398 8.372 1.00 64.80 C ATOM 182 CG ASP A 936 30.596 6.441 7.302 1.00 79.20 C ATOM 183 OD1 ASP A 936 31.593 6.313 6.560 1.00 77.17 O ATOM 184 OD2 ASP A 936 29.791 7.392 7.209 1.00 85.28 O1+ ATOM 0 H ASP A 936 31.436 3.324 7.633 1.00 48.84 H new ATOM 0 HA ASP A 936 32.368 5.458 8.831 1.00 47.48 H new ATOM 0 HB2 ASP A 936 29.808 4.684 8.006 1.00 64.80 H new ATOM 0 HB3 ASP A 936 29.848 5.796 9.098 1.00 64.80 H new ATOM 185 N ILE A 937 31.066 3.283 10.711 1.00 45.57 N ATOM 186 CA ILE A 937 30.895 2.851 12.092 1.00 40.87 C ATOM 187 C ILE A 937 32.253 2.691 12.769 1.00 51.39 C ATOM 188 O ILE A 937 32.393 2.930 13.971 1.00 52.29 O ATOM 189 CB ILE A 937 30.104 1.534 12.166 1.00 41.35 C ATOM 190 CG1 ILE A 937 28.735 1.720 11.507 1.00 46.15 C ATOM 191 CG2 ILE A 937 29.956 1.070 13.609 1.00 45.28 C ATOM 192 CD1 ILE A 937 28.004 0.441 11.248 1.00 53.91 C ATOM 0 H ILE A 937 30.872 2.684 10.126 1.00 45.57 H new ATOM 0 HA ILE A 937 30.389 3.533 12.560 1.00 40.87 H new ATOM 0 HB ILE A 937 30.592 0.846 11.687 1.00 41.35 H new ATOM 0 HG12 ILE A 937 28.188 2.285 12.074 1.00 46.15 H new ATOM 0 HG13 ILE A 937 28.852 2.190 10.667 1.00 46.15 H new ATOM 0 HG21 ILE A 937 29.455 0.240 13.632 1.00 45.28 H new ATOM 0 HG22 ILE A 937 30.834 0.928 13.995 1.00 45.28 H new ATOM 0 HG23 ILE A 937 29.484 1.746 14.120 1.00 45.28 H new ATOM 0 HD11 ILE A 937 27.150 0.635 10.832 1.00 53.91 H new ATOM 0 HD12 ILE A 937 28.531 -0.119 10.657 1.00 53.91 H new ATOM 0 HD13 ILE A 937 27.856 -0.023 12.087 1.00 53.91 H new ATOM 193 N ALA A 938 33.254 2.297 11.986 1.00 36.72 N ATOM 194 CA ALA A 938 34.624 2.212 12.474 1.00 37.95 C ATOM 195 C ALA A 938 35.065 3.563 13.020 1.00 42.89 C ATOM 196 O ALA A 938 35.755 3.637 14.035 1.00 47.41 O ATOM 197 CB ALA A 938 35.560 1.748 11.370 1.00 22.24 C ATOM 0 H ALA A 938 33.157 2.073 11.161 1.00 36.72 H new ATOM 0 HA ALA A 938 34.660 1.559 13.190 1.00 37.95 H new ATOM 0 HB1 ALA A 938 36.466 1.698 11.713 1.00 22.24 H new ATOM 0 HB2 ALA A 938 35.284 0.872 11.058 1.00 22.24 H new ATOM 0 HB3 ALA A 938 35.529 2.378 10.633 1.00 22.24 H new ATOM 198 N ASP A 939 34.646 4.630 12.346 1.00 41.76 N ATOM 199 CA ASP A 939 34.943 5.985 12.790 1.00 42.43 C ATOM 200 C ASP A 939 34.265 6.291 14.120 1.00 33.44 C ATOM 201 O ASP A 939 34.796 7.042 14.938 1.00 33.79 O ATOM 202 CB ASP A 939 34.503 7.007 11.741 1.00 35.82 C ATOM 203 CG ASP A 939 35.110 6.745 10.380 1.00 54.68 C ATOM 204 OD1 ASP A 939 36.169 6.086 10.314 1.00 57.90 O ATOM 205 OD2 ASP A 939 34.527 7.204 9.374 1.00 60.93 O1+ ATOM 0 H ASP A 939 34.184 4.588 11.622 1.00 41.76 H new ATOM 0 HA ASP A 939 35.903 6.048 12.911 1.00 42.43 H new ATOM 0 HB2 ASP A 939 33.536 6.994 11.668 1.00 35.82 H new ATOM 0 HB3 ASP A 939 34.753 7.896 12.037 1.00 35.82 H new ATOM 206 N GLU A 940 33.088 5.710 14.334 1.00 38.96 N ATOM 207 CA GLU A 940 32.362 5.916 15.580 1.00 33.41 C ATOM 208 C GLU A 940 33.052 5.193 16.728 1.00 29.59 C ATOM 209 O GLU A 940 33.163 5.726 17.832 1.00 34.97 O ATOM 210 CB GLU A 940 30.912 5.444 15.446 1.00 42.48 C ATOM 211 CG GLU A 940 30.067 5.690 16.688 1.00 50.82 C ATOM 212 CD GLU A 940 29.991 7.161 17.065 1.00 60.97 C ATOM 213 OE1 GLU A 940 30.042 8.016 16.154 1.00 79.59 O ATOM 214 OE2 GLU A 940 29.885 7.462 18.273 1.00 58.39 O1+ ATOM 0 H GLU A 940 32.694 5.194 13.770 1.00 38.96 H new ATOM 0 HA GLU A 940 32.357 6.866 15.774 1.00 33.41 H new ATOM 0 HB2 GLU A 940 30.502 5.896 14.692 1.00 42.48 H new ATOM 0 HB3 GLU A 940 30.907 4.495 15.245 1.00 42.48 H new ATOM 0 HG2 GLU A 940 29.170 5.352 16.537 1.00 50.82 H new ATOM 0 HG3 GLU A 940 30.437 5.188 17.431 1.00 50.82 H new ATOM 215 N PHE A 941 33.509 3.974 16.459 1.00 30.75 N ATOM 216 CA PHE A 941 34.306 3.216 17.417 1.00 23.03 C ATOM 217 C PHE A 941 35.509 4.025 17.884 1.00 25.17 C ATOM 218 O PHE A 941 35.747 4.173 19.084 1.00 33.51 O ATOM 219 CB PHE A 941 34.774 1.898 16.800 1.00 39.87 C ATOM 220 CG PHE A 941 33.824 0.759 17.010 1.00 30.86 C ATOM 221 CD1 PHE A 941 32.538 0.808 16.501 1.00 43.70 C ATOM 222 CD2 PHE A 941 34.221 -0.369 17.709 1.00 30.48 C ATOM 223 CE1 PHE A 941 31.662 -0.243 16.693 1.00 47.91 C ATOM 224 CE2 PHE A 941 33.351 -1.425 17.903 1.00 23.44 C ATOM 225 CZ PHE A 941 32.070 -1.361 17.394 1.00 38.71 C ATOM 0 H PHE A 941 33.366 3.564 15.717 1.00 30.75 H new ATOM 0 HA PHE A 941 33.746 3.024 18.185 1.00 23.03 H new ATOM 0 HB2 PHE A 941 34.906 2.026 15.848 1.00 39.87 H new ATOM 0 HB3 PHE A 941 35.636 1.662 17.177 1.00 39.87 H new ATOM 0 HD1 PHE A 941 32.260 1.557 16.024 1.00 43.70 H new ATOM 0 HD2 PHE A 941 35.084 -0.416 18.052 1.00 30.48 H new ATOM 0 HE1 PHE A 941 30.799 -0.198 16.351 1.00 47.91 H new ATOM 0 HE2 PHE A 941 33.628 -2.177 18.375 1.00 23.44 H new ATOM 0 HZ PHE A 941 31.482 -2.070 17.523 1.00 38.71 H new ATOM 226 N ARG A 942 36.256 4.550 16.919 1.00 35.34 N ATOM 227 CA ARG A 942 37.430 5.373 17.188 1.00 23.44 C ATOM 228 C ARG A 942 37.080 6.608 18.009 1.00 27.68 C ATOM 229 O ARG A 942 37.807 6.979 18.929 1.00 26.16 O ATOM 230 CB ARG A 942 38.094 5.779 15.869 1.00 29.91 C ATOM 231 CG ARG A 942 38.980 7.010 15.950 1.00 61.32 C ATOM 232 CD ARG A 942 39.741 7.211 14.650 1.00 52.56 C ATOM 233 NE ARG A 942 40.817 6.236 14.495 1.00 49.48 N ATOM 234 CZ ARG A 942 41.287 5.821 13.324 1.00 57.02 C ATOM 235 NH1 ARG A 942 40.768 6.286 12.195 1.00 56.28 N1+ ATOM 236 NH2 ARG A 942 42.271 4.933 13.280 1.00 55.20 N ATOM 0 H ARG A 942 36.094 4.438 16.082 1.00 35.34 H new ATOM 0 HA ARG A 942 38.052 4.844 17.712 1.00 23.44 H new ATOM 0 HB2 ARG A 942 38.626 5.034 15.548 1.00 29.91 H new ATOM 0 HB3 ARG A 942 37.401 5.938 15.209 1.00 29.91 H new ATOM 0 HG2 ARG A 942 38.438 7.792 16.137 1.00 61.32 H new ATOM 0 HG3 ARG A 942 39.606 6.916 16.685 1.00 61.32 H new ATOM 0 HD2 ARG A 942 39.128 7.138 13.902 1.00 52.56 H new ATOM 0 HD3 ARG A 942 40.111 8.107 14.627 1.00 52.56 H new ATOM 0 HE ARG A 942 41.169 5.909 15.208 1.00 49.48 H new ATOM 0 HH11 ARG A 942 40.126 6.857 12.220 1.00 56.28 H new ATOM 0 HH12 ARG A 942 41.074 6.016 11.438 1.00 56.28 H new ATOM 0 HH21 ARG A 942 42.605 4.625 14.010 1.00 55.20 H new ATOM 0 HH22 ARG A 942 42.575 4.665 12.521 1.00 55.20 H new ATOM 237 N ALA A 943 35.957 7.235 17.675 1.00 37.60 N ATOM 238 CA ALA A 943 35.504 8.422 18.388 1.00 27.86 C ATOM 239 C ALA A 943 35.096 8.081 19.816 1.00 35.60 C ATOM 240 O ALA A 943 35.291 8.876 20.734 1.00 26.38 O ATOM 241 CB ALA A 943 34.349 9.076 17.645 1.00 35.90 C ATOM 0 H ALA A 943 35.440 6.986 17.034 1.00 37.60 H new ATOM 0 HA ALA A 943 36.242 9.050 18.430 1.00 27.86 H new ATOM 0 HB1 ALA A 943 34.057 9.864 18.129 1.00 35.90 H new ATOM 0 HB2 ALA A 943 34.640 9.333 16.756 1.00 35.90 H new ATOM 0 HB3 ALA A 943 33.612 8.449 17.575 1.00 35.90 H new ATOM 242 N GLN A 944 34.534 6.892 19.998 1.00 24.59 N ATOM 243 CA GLN A 944 34.102 6.449 21.315 1.00 23.55 C ATOM 244 C GLN A 944 35.214 5.692 22.038 1.00 29.85 C ATOM 245 O GLN A 944 34.985 5.083 23.083 1.00 30.31 O ATOM 246 CB GLN A 944 32.851 5.575 21.203 1.00 32.01 C ATOM 247 CG GLN A 944 31.628 6.282 20.642 1.00 38.24 C ATOM 248 CD GLN A 944 30.982 7.215 21.645 1.00 42.49 C ATOM 249 OE1 GLN A 944 31.215 7.109 22.850 1.00 36.88 O ATOM 250 NE2 GLN A 944 30.162 8.136 21.153 1.00 52.68 N ATOM 0 H GLN A 944 34.394 6.324 19.367 1.00 24.59 H new ATOM 0 HA GLN A 944 33.887 7.238 21.837 1.00 23.55 H new ATOM 0 HB2 GLN A 944 33.054 4.812 20.640 1.00 32.01 H new ATOM 0 HB3 GLN A 944 32.634 5.229 22.083 1.00 32.01 H new ATOM 0 HG2 GLN A 944 31.884 6.787 19.854 1.00 38.24 H new ATOM 0 HG3 GLN A 944 30.979 5.620 20.357 1.00 38.24 H new ATOM 0 HE21 GLN A 944 30.024 8.180 20.305 1.00 52.68 H new ATOM 0 HE22 GLN A 944 29.769 8.689 21.682 1.00 52.68 H new ATOM 251 N GLU A 945 36.413 5.736 21.466 1.00 31.22 N ATOM 252 CA GLU A 945 37.611 5.163 22.078 1.00 28.21 C ATOM 253 C GLU A 945 37.459 3.704 22.493 1.00 31.39 C ATOM 254 O GLU A 945 37.777 3.340 23.623 1.00 36.81 O ATOM 255 CB GLU A 945 38.030 5.993 23.292 1.00 28.86 C ATOM 256 CG GLU A 945 38.474 7.402 22.951 1.00 31.15 C ATOM 257 CD GLU A 945 38.778 8.228 24.180 1.00 42.93 C ATOM 258 OE1 GLU A 945 38.755 7.669 25.297 1.00 53.04 O ATOM 259 OE2 GLU A 945 39.036 9.440 24.031 1.00 41.44 O1+ ATOM 0 H GLU A 945 36.557 6.104 20.702 1.00 31.22 H new ATOM 0 HA GLU A 945 38.295 5.187 21.391 1.00 28.21 H new ATOM 0 HB2 GLU A 945 37.286 6.039 23.913 1.00 28.86 H new ATOM 0 HB3 GLU A 945 38.754 5.537 23.750 1.00 28.86 H new ATOM 0 HG2 GLU A 945 39.264 7.362 22.389 1.00 31.15 H new ATOM 0 HG3 GLU A 945 37.780 7.840 22.434 1.00 31.15 H new ATOM 260 N ILE A 946 36.982 2.866 21.580 1.00 34.40 N ATOM 261 CA ILE A 946 36.923 1.433 21.849 1.00 31.87 C ATOM 262 C ILE A 946 38.259 0.784 21.503 1.00 32.52 C ATOM 263 O ILE A 946 38.637 0.695 20.334 1.00 34.42 O ATOM 264 CB ILE A 946 35.795 0.730 21.061 1.00 30.95 C ATOM 265 CG1 ILE A 946 34.432 1.092 21.645 1.00 29.04 C ATOM 266 CG2 ILE A 946 35.970 -0.778 21.107 1.00 32.61 C ATOM 267 CD1 ILE A 946 33.801 2.290 21.010 1.00 37.70 C ATOM 0 H ILE A 946 36.690 3.102 20.806 1.00 34.40 H new ATOM 0 HA ILE A 946 36.732 1.329 22.794 1.00 31.87 H new ATOM 0 HB ILE A 946 35.843 1.030 20.140 1.00 30.95 H new ATOM 0 HG12 ILE A 946 33.836 0.333 21.547 1.00 29.04 H new ATOM 0 HG13 ILE A 946 34.530 1.255 22.596 1.00 29.04 H new ATOM 0 HG21 ILE A 946 35.254 -1.202 20.608 1.00 32.61 H new ATOM 0 HG22 ILE A 946 36.824 -1.017 20.714 1.00 32.61 H new ATOM 0 HG23 ILE A 946 35.944 -1.079 22.029 1.00 32.61 H new ATOM 0 HD11 ILE A 946 32.942 2.463 21.427 1.00 37.70 H new ATOM 0 HD12 ILE A 946 34.378 3.061 21.128 1.00 37.70 H new ATOM 0 HD13 ILE A 946 33.673 2.125 20.063 1.00 37.70 H new ATOM 268 N ASP A 947 38.986 0.357 22.529 1.00 33.07 N ATOM 269 CA ASP A 947 40.195 -0.426 22.323 1.00 31.77 C ATOM 270 C ASP A 947 39.830 -1.901 22.324 1.00 22.29 C ATOM 271 O ASP A 947 38.652 -2.252 22.298 1.00 26.63 O ATOM 272 CB ASP A 947 41.243 -0.119 23.397 1.00 34.09 C ATOM 273 CG ASP A 947 40.654 -0.055 24.793 1.00 42.27 C ATOM 274 OD1 ASP A 947 39.519 -0.536 24.989 1.00 34.27 O ATOM 275 OD2 ASP A 947 41.333 0.478 25.695 1.00 33.49 O1+ ATOM 0 H ASP A 947 38.795 0.511 23.353 1.00 33.07 H new ATOM 0 HA ASP A 947 40.587 -0.191 21.468 1.00 31.77 H new ATOM 0 HB2 ASP A 947 41.933 -0.800 23.373 1.00 34.09 H new ATOM 0 HB3 ASP A 947 41.671 0.727 23.192 1.00 34.09 H new ATOM 276 N GLY A 948 40.838 -2.762 22.350 1.00 30.86 N ATOM 277 CA GLY A 948 40.607 -4.191 22.313 1.00 26.61 C ATOM 278 C GLY A 948 39.797 -4.703 23.487 1.00 29.96 C ATOM 279 O GLY A 948 38.931 -5.562 23.322 1.00 31.68 O ATOM 0 H GLY A 948 41.666 -2.534 22.389 1.00 30.86 H new ATOM 0 HA2 GLY A 948 40.147 -4.416 21.489 1.00 26.61 H new ATOM 0 HA3 GLY A 948 41.462 -4.649 22.295 1.00 26.61 H new ATOM 280 N GLN A 949 40.081 -4.176 24.674 1.00 35.45 N ATOM 281 CA GLN A 949 39.349 -4.556 25.879 1.00 32.47 C ATOM 282 C GLN A 949 37.877 -4.178 25.778 1.00 32.13 C ATOM 283 O GLN A 949 37.000 -5.012 25.999 1.00 43.24 O ATOM 284 CB GLN A 949 39.969 -3.905 27.117 1.00 36.04 C ATOM 285 CG GLN A 949 41.189 -4.631 27.654 1.00 46.20 C ATOM 286 CD GLN A 949 41.007 -5.075 29.092 1.00 69.02 C ATOM 287 OE1 GLN A 949 40.801 -4.255 29.987 1.00 70.44 O ATOM 288 NE2 GLN A 949 41.075 -6.382 29.321 1.00 58.89 N ATOM 0 H GLN A 949 40.699 -3.592 24.804 1.00 35.45 H new ATOM 0 HA GLN A 949 39.411 -5.520 25.964 1.00 32.47 H new ATOM 0 HB2 GLN A 949 40.217 -2.992 26.901 1.00 36.04 H new ATOM 0 HB3 GLN A 949 39.298 -3.859 27.816 1.00 36.04 H new ATOM 0 HG2 GLN A 949 41.372 -5.405 27.099 1.00 46.20 H new ATOM 0 HG3 GLN A 949 41.962 -4.049 27.593 1.00 46.20 H new ATOM 0 HE21 GLN A 949 41.221 -6.926 28.671 1.00 58.89 H new ATOM 0 HE22 GLN A 949 40.973 -6.684 30.120 1.00 58.89 H new ATOM 289 N ALA A 950 37.615 -2.919 25.443 1.00 29.43 N ATOM 290 CA ALA A 950 36.249 -2.434 25.294 1.00 26.46 C ATOM 291 C ALA A 950 35.512 -3.211 24.210 1.00 30.58 C ATOM 292 O ALA A 950 34.318 -3.480 24.329 1.00 32.53 O ATOM 293 CB ALA A 950 36.245 -0.947 24.979 1.00 30.49 C ATOM 0 H ALA A 950 38.220 -2.326 25.297 1.00 29.43 H new ATOM 0 HA ALA A 950 35.785 -2.573 26.134 1.00 26.46 H new ATOM 0 HB1 ALA A 950 35.330 -0.639 24.883 1.00 30.49 H new ATOM 0 HB2 ALA A 950 36.675 -0.462 25.701 1.00 30.49 H new ATOM 0 HB3 ALA A 950 36.727 -0.790 24.152 1.00 30.49 H new ATOM 294 N LEU A 951 36.236 -3.578 23.158 1.00 28.26 N ATOM 295 CA LEU A 951 35.663 -4.351 22.063 1.00 29.97 C ATOM 296 C LEU A 951 35.195 -5.724 22.533 1.00 36.18 C ATOM 297 O LEU A 951 34.163 -6.224 22.087 1.00 49.73 O ATOM 298 CB LEU A 951 36.680 -4.509 20.934 1.00 25.65 C ATOM 299 CG LEU A 951 36.205 -5.267 19.694 1.00 25.80 C ATOM 300 CD1 LEU A 951 35.169 -4.455 18.936 1.00 14.92 C ATOM 301 CD2 LEU A 951 37.382 -5.620 18.797 1.00 36.78 C ATOM 0 H LEU A 951 37.069 -3.387 23.059 1.00 28.26 H new ATOM 0 HA LEU A 951 34.891 -3.865 21.734 1.00 29.97 H new ATOM 0 HB2 LEU A 951 36.968 -3.625 20.658 1.00 25.65 H new ATOM 0 HB3 LEU A 951 37.460 -4.964 21.288 1.00 25.65 H new ATOM 0 HG LEU A 951 35.788 -6.094 19.982 1.00 25.80 H new ATOM 0 HD11 LEU A 951 34.879 -4.950 18.154 1.00 14.92 H new ATOM 0 HD12 LEU A 951 34.407 -4.285 19.511 1.00 14.92 H new ATOM 0 HD13 LEU A 951 35.559 -3.611 18.658 1.00 14.92 H new ATOM 0 HD21 LEU A 951 37.062 -6.100 18.017 1.00 36.78 H new ATOM 0 HD22 LEU A 951 37.830 -4.807 18.515 1.00 36.78 H new ATOM 0 HD23 LEU A 951 38.006 -6.179 19.286 1.00 36.78 H new ATOM 302 N LEU A 952 35.956 -6.329 23.439 1.00 34.57 N ATOM 303 CA LEU A 952 35.624 -7.652 23.953 1.00 40.48 C ATOM 304 C LEU A 952 34.551 -7.579 25.034 1.00 37.47 C ATOM 305 O LEU A 952 33.958 -8.593 25.402 1.00 33.24 O ATOM 306 CB LEU A 952 36.877 -8.341 24.498 1.00 36.11 C ATOM 307 CG LEU A 952 37.957 -8.666 23.464 1.00 42.56 C ATOM 308 CD1 LEU A 952 39.164 -9.306 24.130 1.00 33.75 C ATOM 309 CD2 LEU A 952 37.399 -9.570 22.376 1.00 36.96 C ATOM 0 H LEU A 952 36.673 -5.988 23.770 1.00 34.57 H new ATOM 0 HA LEU A 952 35.270 -8.174 23.217 1.00 40.48 H new ATOM 0 HB2 LEU A 952 37.267 -7.774 25.181 1.00 36.11 H new ATOM 0 HB3 LEU A 952 36.610 -9.166 24.933 1.00 36.11 H new ATOM 0 HG LEU A 952 38.245 -7.836 23.052 1.00 42.56 H new ATOM 0 HD11 LEU A 952 39.836 -9.504 23.460 1.00 33.75 H new ATOM 0 HD12 LEU A 952 39.533 -8.695 24.787 1.00 33.75 H new ATOM 0 HD13 LEU A 952 38.894 -10.128 24.569 1.00 33.75 H new ATOM 0 HD21 LEU A 952 38.095 -9.766 21.730 1.00 36.96 H new ATOM 0 HD22 LEU A 952 37.084 -10.397 22.772 1.00 36.96 H new ATOM 0 HD23 LEU A 952 36.662 -9.124 21.931 1.00 36.96 H new ATOM 310 N LEU A 953 34.304 -6.375 25.539 1.00 38.06 N ATOM 311 CA LEU A 953 33.300 -6.170 26.574 1.00 31.16 C ATOM 312 C LEU A 953 31.935 -5.866 25.969 1.00 34.43 C ATOM 313 O LEU A 953 30.931 -5.799 26.677 1.00 40.62 O ATOM 314 CB LEU A 953 33.725 -5.039 27.511 1.00 31.95 C ATOM 315 CG LEU A 953 34.913 -5.363 28.416 1.00 29.85 C ATOM 316 CD1 LEU A 953 35.377 -4.127 29.157 1.00 30.05 C ATOM 317 CD2 LEU A 953 34.546 -6.467 29.393 1.00 26.91 C ATOM 0 H LEU A 953 34.711 -5.659 25.293 1.00 38.06 H new ATOM 0 HA LEU A 953 33.226 -6.992 27.084 1.00 31.16 H new ATOM 0 HB2 LEU A 953 33.946 -4.260 26.977 1.00 31.95 H new ATOM 0 HB3 LEU A 953 32.968 -4.796 28.067 1.00 31.95 H new ATOM 0 HG LEU A 953 35.645 -5.673 27.861 1.00 29.85 H new ATOM 0 HD11 LEU A 953 36.130 -4.354 29.725 1.00 30.05 H new ATOM 0 HD12 LEU A 953 35.647 -3.449 28.518 1.00 30.05 H new ATOM 0 HD13 LEU A 953 34.652 -3.786 29.703 1.00 30.05 H new ATOM 0 HD21 LEU A 953 35.307 -6.663 29.961 1.00 26.91 H new ATOM 0 HD22 LEU A 953 33.800 -6.179 29.942 1.00 26.91 H new ATOM 0 HD23 LEU A 953 34.296 -7.265 28.901 1.00 26.91 H new ATOM 318 N LEU A 954 31.906 -5.683 24.654 1.00 37.70 N ATOM 319 CA LEU A 954 30.665 -5.403 23.945 1.00 44.42 C ATOM 320 C LEU A 954 29.715 -6.593 23.980 1.00 47.30 C ATOM 321 O LEU A 954 30.109 -7.720 23.682 1.00 49.85 O ATOM 322 CB LEU A 954 30.958 -5.014 22.494 1.00 47.57 C ATOM 323 CG LEU A 954 31.484 -3.598 22.262 1.00 45.94 C ATOM 324 CD1 LEU A 954 32.061 -3.467 20.865 1.00 51.71 C ATOM 325 CD2 LEU A 954 30.370 -2.589 22.471 1.00 49.08 C ATOM 0 H LEU A 954 32.602 -5.717 24.150 1.00 37.70 H new ATOM 0 HA LEU A 954 30.232 -4.662 24.397 1.00 44.42 H new ATOM 0 HB2 LEU A 954 31.606 -5.641 22.136 1.00 47.57 H new ATOM 0 HB3 LEU A 954 30.143 -5.123 21.980 1.00 47.57 H new ATOM 0 HG LEU A 954 32.191 -3.420 22.902 1.00 45.94 H new ATOM 0 HD11 LEU A 954 32.390 -2.564 20.734 1.00 51.71 H new ATOM 0 HD12 LEU A 954 32.792 -4.096 20.756 1.00 51.71 H new ATOM 0 HD13 LEU A 954 31.371 -3.657 20.210 1.00 51.71 H new ATOM 0 HD21 LEU A 954 30.712 -1.694 22.322 1.00 49.08 H new ATOM 0 HD22 LEU A 954 29.650 -2.768 21.846 1.00 49.08 H new ATOM 0 HD23 LEU A 954 30.035 -2.660 23.379 1.00 49.08 H new ATOM 326 N LYS A 955 28.466 -6.337 24.356 1.00 44.45 N ATOM 327 CA LYS A 955 27.428 -7.357 24.298 1.00 43.63 C ATOM 328 C LYS A 955 26.600 -7.160 23.035 1.00 48.36 C ATOM 329 O LYS A 955 26.659 -6.101 22.409 1.00 50.36 O ATOM 330 CB LYS A 955 26.532 -7.305 25.538 1.00 57.94 C ATOM 331 CG LYS A 955 27.285 -7.366 26.861 1.00 51.42 C ATOM 332 CD LYS A 955 26.371 -7.821 27.991 1.00 55.22 C ATOM 333 CE LYS A 955 27.037 -7.679 29.351 1.00 50.09 C ATOM 334 NZ LYS A 955 27.084 -6.257 29.806 1.00 36.76 N1+ ATOM 0 H LYS A 955 28.199 -5.574 24.649 1.00 44.45 H new ATOM 0 HA LYS A 955 27.849 -8.231 24.277 1.00 43.63 H new ATOM 0 HB2 LYS A 955 26.010 -6.488 25.513 1.00 57.94 H new ATOM 0 HB3 LYS A 955 25.904 -8.044 25.501 1.00 57.94 H new ATOM 0 HG2 LYS A 955 28.035 -7.976 26.782 1.00 51.42 H new ATOM 0 HG3 LYS A 955 27.651 -6.492 27.069 1.00 51.42 H new ATOM 0 HD2 LYS A 955 25.554 -7.299 27.975 1.00 55.22 H new ATOM 0 HD3 LYS A 955 26.119 -8.747 27.850 1.00 55.22 H new ATOM 0 HE2 LYS A 955 26.555 -8.211 30.003 1.00 50.09 H new ATOM 0 HE3 LYS A 955 27.939 -8.034 29.307 1.00 50.09 H new ATOM 0 HZ1 LYS A 955 27.479 -6.213 30.602 1.00 36.76 H new ATOM 0 HZ2 LYS A 955 27.545 -5.772 29.219 1.00 36.76 H new ATOM 0 HZ3 LYS A 955 26.256 -5.937 29.868 1.00 36.76 H new ATOM 335 N GLU A 956 25.833 -8.179 22.660 1.00 58.13 N ATOM 336 CA GLU A 956 25.022 -8.113 21.448 1.00 55.79 C ATOM 337 C GLU A 956 24.014 -6.973 21.527 1.00 47.73 C ATOM 338 O GLU A 956 23.731 -6.309 20.528 1.00 59.02 O ATOM 339 CB GLU A 956 24.298 -9.437 21.209 1.00 61.35 C ATOM 340 CG GLU A 956 23.540 -9.494 19.890 1.00 80.94 C ATOM 341 CD GLU A 956 22.871 -10.834 19.655 1.00 86.02 C ATOM 342 OE1 GLU A 956 22.799 -11.640 20.606 1.00 90.92 O ATOM 343 OE2 GLU A 956 22.420 -11.084 18.517 1.00 69.87 O1+ ATOM 0 H GLU A 956 25.768 -8.919 23.094 1.00 58.13 H new ATOM 0 HA GLU A 956 25.618 -7.945 20.702 1.00 55.79 H new ATOM 0 HB2 GLU A 956 24.946 -10.159 21.231 1.00 61.35 H new ATOM 0 HB3 GLU A 956 23.676 -9.592 21.937 1.00 61.35 H new ATOM 0 HG2 GLU A 956 22.868 -8.795 19.878 1.00 80.94 H new ATOM 0 HG3 GLU A 956 24.153 -9.311 19.161 1.00 80.94 H new ATOM 344 N ASP A 957 23.483 -6.749 22.725 1.00 47.08 N ATOM 345 CA ASP A 957 22.530 -5.674 22.956 1.00 54.81 C ATOM 346 C ASP A 957 23.201 -4.318 22.760 1.00 54.89 C ATOM 347 O ASP A 957 22.643 -3.433 22.122 1.00 58.50 O ATOM 348 CB ASP A 957 21.931 -5.784 24.361 1.00 60.86 C ATOM 349 CG ASP A 957 20.658 -4.972 24.520 1.00 84.02 C ATOM 350 OD1 ASP A 957 19.590 -5.441 24.067 1.00 65.70 O1+ ATOM 351 OD2 ASP A 957 20.721 -3.873 25.112 1.00 76.11 O ATOM 0 H ASP A 957 23.666 -7.216 23.424 1.00 47.08 H new ATOM 0 HA ASP A 957 21.810 -5.754 22.311 1.00 54.81 H new ATOM 0 HB2 ASP A 957 21.743 -6.715 24.556 1.00 60.86 H new ATOM 0 HB3 ASP A 957 22.585 -5.484 25.012 1.00 60.86 H new ATOM 352 N HIS A 958 24.409 -4.179 23.301 1.00 61.51 N ATOM 353 CA HIS A 958 25.178 -2.937 23.216 1.00 57.53 C ATOM 354 C HIS A 958 25.270 -2.379 21.802 1.00 60.57 C ATOM 355 O HIS A 958 25.187 -1.167 21.601 1.00 62.96 O ATOM 356 CB HIS A 958 26.594 -3.150 23.753 1.00 54.14 C ATOM 357 CG HIS A 958 26.699 -3.066 25.243 1.00 45.09 C ATOM 358 ND1 HIS A 958 27.427 -3.970 25.987 1.00 36.36 N ATOM 359 CD2 HIS A 958 26.188 -2.177 26.126 1.00 54.34 C ATOM 360 CE1 HIS A 958 27.351 -3.647 27.265 1.00 46.57 C ATOM 361 NE2 HIS A 958 26.605 -2.562 27.377 1.00 63.96 N ATOM 0 H HIS A 958 24.809 -4.807 23.731 1.00 61.51 H new ATOM 0 HA HIS A 958 24.698 -2.290 23.757 1.00 57.53 H new ATOM 0 HB2 HIS A 958 26.912 -4.020 23.464 1.00 54.14 H new ATOM 0 HB3 HIS A 958 27.183 -2.487 23.359 1.00 54.14 H new ATOM 0 HD2 HIS A 958 25.654 -1.443 25.924 1.00 54.34 H new ATOM 0 HE1 HIS A 958 27.754 -4.105 27.967 1.00 46.57 H new ATOM 0 HE2 HIS A 958 26.412 -2.162 28.113 1.00 63.96 H new ATOM 362 N LEU A 959 25.446 -3.272 20.832 1.00 57.47 N ATOM 363 CA LEU A 959 25.650 -2.887 19.440 1.00 59.45 C ATOM 364 C LEU A 959 24.536 -1.995 18.922 1.00 70.12 C ATOM 365 O LEU A 959 24.796 -0.939 18.348 1.00 72.57 O ATOM 366 CB LEU A 959 25.773 -4.127 18.562 1.00 56.10 C ATOM 367 CG LEU A 959 27.070 -4.891 18.786 1.00 61.03 C ATOM 368 CD1 LEU A 959 27.148 -6.066 17.849 1.00 58.47 C ATOM 369 CD2 LEU A 959 28.260 -3.967 18.588 1.00 43.72 C ATOM 0 H LEU A 959 25.450 -4.122 20.964 1.00 57.47 H new ATOM 0 HA LEU A 959 26.475 -2.378 19.401 1.00 59.45 H new ATOM 0 HB2 LEU A 959 25.023 -4.716 18.737 1.00 56.10 H new ATOM 0 HB3 LEU A 959 25.716 -3.864 17.630 1.00 56.10 H new ATOM 0 HG LEU A 959 27.087 -5.224 19.697 1.00 61.03 H new ATOM 0 HD11 LEU A 959 27.977 -6.546 18.000 1.00 58.47 H new ATOM 0 HD12 LEU A 959 26.398 -6.659 18.011 1.00 58.47 H new ATOM 0 HD13 LEU A 959 27.119 -5.751 16.932 1.00 58.47 H new ATOM 0 HD21 LEU A 959 29.082 -4.462 18.733 1.00 43.72 H new ATOM 0 HD22 LEU A 959 28.250 -3.615 17.684 1.00 43.72 H new ATOM 0 HD23 LEU A 959 28.209 -3.234 19.221 1.00 43.72 H new ATOM 370 N MET A 960 23.292 -2.417 19.113 1.00 71.69 N ATOM 371 CA MET A 960 22.184 -1.535 18.778 1.00 62.85 C ATOM 372 C MET A 960 21.197 -1.410 19.939 1.00 72.55 C ATOM 373 O MET A 960 20.091 -1.947 19.916 1.00 83.67 O ATOM 374 CB MET A 960 21.485 -1.987 17.489 1.00 52.66 C ATOM 375 CG MET A 960 20.934 -3.392 17.436 1.00 53.51 C ATOM 376 SD MET A 960 19.747 -3.458 16.080 1.00 70.59 S ATOM 377 CE MET A 960 19.249 -1.735 15.997 1.00 43.98 C ATOM 0 H MET A 960 23.072 -3.187 19.426 1.00 71.69 H new ATOM 0 HA MET A 960 22.551 -0.652 18.617 1.00 62.85 H new ATOM 0 HB2 MET A 960 20.753 -1.374 17.317 1.00 52.66 H new ATOM 0 HB3 MET A 960 22.115 -1.887 16.759 1.00 52.66 H new ATOM 0 HG2 MET A 960 21.648 -4.033 17.296 1.00 53.51 H new ATOM 0 HG3 MET A 960 20.506 -3.623 18.275 1.00 53.51 H new ATOM 0 HE1 MET A 960 18.486 -1.647 15.405 1.00 43.98 H new ATOM 0 HE2 MET A 960 19.007 -1.425 16.884 1.00 43.98 H new ATOM 0 HE3 MET A 960 19.984 -1.201 15.658 1.00 43.98 H new ATOM 378 N SER A 961 21.633 -0.685 20.962 1.00 77.08 N ATOM 379 CA SER A 961 20.776 -0.270 22.065 1.00 83.12 C ATOM 380 C SER A 961 21.272 1.076 22.566 1.00 89.52 C ATOM 381 O SER A 961 20.488 1.996 22.800 1.00107.96 O ATOM 382 CB SER A 961 20.774 -1.296 23.198 1.00100.90 C ATOM 383 OG SER A 961 22.091 -1.542 23.665 1.00 80.94 O ATOM 0 H SER A 961 22.447 -0.416 21.036 1.00 77.08 H new ATOM 0 HA SER A 961 19.861 -0.200 21.750 1.00 83.12 H new ATOM 0 HB2 SER A 961 20.223 -0.974 23.929 1.00100.90 H new ATOM 0 HB3 SER A 961 20.377 -2.125 22.887 1.00100.90 H new ATOM 0 HG SER A 961 22.538 -1.916 23.060 1.00 80.94 H new ATOM 384 N ALA A 962 22.589 1.185 22.712 1.00 86.56 N ATOM 385 CA ALA A 962 23.217 2.424 23.153 1.00102.37 C ATOM 386 C ALA A 962 24.104 3.024 22.069 1.00 91.40 C ATOM 387 O ALA A 962 24.461 4.200 22.136 1.00 89.02 O ATOM 388 CB ALA A 962 24.026 2.184 24.414 1.00100.26 C ATOM 0 H ALA A 962 23.142 0.544 22.558 1.00 86.56 H new ATOM 0 HA ALA A 962 22.509 3.060 23.342 1.00102.37 H new ATOM 0 HB1 ALA A 962 24.438 3.015 24.697 1.00100.26 H new ATOM 0 HB2 ALA A 962 23.442 1.858 25.116 1.00100.26 H new ATOM 0 HB3 ALA A 962 24.716 1.526 24.236 1.00100.26 H new ATOM 389 N MET A 963 24.456 2.213 21.073 1.00 94.60 N ATOM 390 CA MET A 963 25.390 2.640 20.032 1.00 87.15 C ATOM 391 C MET A 963 24.700 3.095 18.750 1.00 82.46 C ATOM 392 O MET A 963 25.341 3.673 17.874 1.00 74.16 O ATOM 393 CB MET A 963 26.380 1.517 19.707 1.00 82.03 C ATOM 394 CG MET A 963 27.364 1.242 20.820 1.00 65.70 C ATOM 395 SD MET A 963 27.872 2.797 21.568 1.00104.24 S ATOM 396 CE MET A 963 28.981 3.429 20.309 1.00 44.68 C ATOM 0 H MET A 963 24.164 1.409 20.982 1.00 94.60 H new ATOM 0 HA MET A 963 25.860 3.408 20.392 1.00 87.15 H new ATOM 0 HB2 MET A 963 25.885 0.705 19.514 1.00 82.03 H new ATOM 0 HB3 MET A 963 26.869 1.749 18.902 1.00 82.03 H new ATOM 0 HG2 MET A 963 26.959 0.667 21.488 1.00 65.70 H new ATOM 0 HG3 MET A 963 28.137 0.771 20.472 1.00 65.70 H new ATOM 0 HE1 MET A 963 29.885 3.458 20.659 1.00 44.68 H new ATOM 0 HE2 MET A 963 28.954 2.848 19.532 1.00 44.68 H new ATOM 0 HE3 MET A 963 28.705 4.323 20.054 1.00 44.68 H new ATOM 397 N ASN A 964 23.400 2.832 18.648 1.00 77.46 N ATOM 398 CA ASN A 964 22.601 3.227 17.489 1.00 82.21 C ATOM 399 C ASN A 964 23.181 2.764 16.158 1.00 86.89 C ATOM 400 O ASN A 964 23.189 3.512 15.178 1.00100.10 O ATOM 401 CB ASN A 964 22.414 4.744 17.462 1.00 97.35 C ATOM 402 CG ASN A 964 20.996 5.159 17.803 1.00110.92 C ATOM 403 OD1 ASN A 964 20.633 5.262 18.974 1.00108.86 O ATOM 404 ND2 ASN A 964 20.185 5.394 16.776 1.00 80.81 N ATOM 0 H ASN A 964 22.953 2.416 19.254 1.00 77.46 H new ATOM 0 HA ASN A 964 21.745 2.782 17.594 1.00 82.21 H new ATOM 0 HB2 ASN A 964 23.028 5.154 18.091 1.00 97.35 H new ATOM 0 HB3 ASN A 964 22.643 5.080 16.581 1.00 97.35 H new ATOM 0 HD21 ASN A 964 19.370 5.629 16.917 1.00 80.81 H new ATOM 0 HD22 ASN A 964 20.476 5.311 15.971 1.00 80.81 H new ATOM 405 N ILE A 965 23.674 1.530 16.141 1.00 70.75 N ATOM 406 CA ILE A 965 24.128 0.898 14.913 1.00 57.11 C ATOM 407 C ILE A 965 22.955 0.196 14.252 1.00 56.67 C ATOM 408 O ILE A 965 22.136 -0.423 14.931 1.00 60.79 O ATOM 409 CB ILE A 965 25.254 -0.122 15.173 1.00 50.24 C ATOM 410 CG1 ILE A 965 26.380 0.523 15.977 1.00 57.46 C ATOM 411 CG2 ILE A 965 25.777 -0.694 13.860 1.00 66.07 C ATOM 412 CD1 ILE A 965 27.517 -0.426 16.301 1.00 82.05 C ATOM 0 H ILE A 965 23.754 1.038 16.842 1.00 70.75 H new ATOM 0 HA ILE A 965 24.483 1.590 14.333 1.00 57.11 H new ATOM 0 HB ILE A 965 24.892 -0.856 15.694 1.00 50.24 H new ATOM 0 HG12 ILE A 965 26.731 1.278 15.479 1.00 57.46 H new ATOM 0 HG13 ILE A 965 26.016 0.874 16.805 1.00 57.46 H new ATOM 0 HG21 ILE A 965 26.484 -1.333 14.044 1.00 66.07 H new ATOM 0 HG22 ILE A 965 25.054 -1.138 13.390 1.00 66.07 H new ATOM 0 HG23 ILE A 965 26.126 0.025 13.310 1.00 66.07 H new ATOM 0 HD11 ILE A 965 28.196 0.044 16.810 1.00 82.05 H new ATOM 0 HD12 ILE A 965 27.179 -1.170 16.823 1.00 82.05 H new ATOM 0 HD13 ILE A 965 27.905 -0.760 15.477 1.00 82.05 H new ATOM 413 N LYS A 966 22.863 0.303 12.931 1.00 47.27 N ATOM 414 CA LYS A 966 21.819 -0.401 12.206 1.00 52.77 C ATOM 415 C LYS A 966 22.056 -1.890 12.353 1.00 46.00 C ATOM 416 O LYS A 966 23.201 -2.339 12.436 1.00 44.12 O ATOM 417 CB LYS A 966 21.787 0.005 10.731 1.00 50.59 C ATOM 418 CG LYS A 966 21.488 1.478 10.522 1.00 52.98 C ATOM 419 CD LYS A 966 21.645 1.899 9.072 1.00 67.39 C ATOM 420 CE LYS A 966 21.268 3.367 8.888 1.00 64.10 C ATOM 421 NZ LYS A 966 22.159 4.278 9.666 1.00 57.19 N ATOM 0 H LYS A 966 23.391 0.774 12.442 1.00 47.27 H new ATOM 0 HA LYS A 966 20.955 -0.165 12.578 1.00 52.77 H new ATOM 0 HB2 LYS A 966 22.642 -0.206 10.325 1.00 50.59 H new ATOM 0 HB3 LYS A 966 21.116 -0.524 10.271 1.00 50.59 H new ATOM 0 HG2 LYS A 966 20.583 1.667 10.815 1.00 52.98 H new ATOM 0 HG3 LYS A 966 22.082 2.008 11.076 1.00 52.98 H new ATOM 0 HD2 LYS A 966 22.562 1.758 8.788 1.00 67.39 H new ATOM 0 HD3 LYS A 966 21.085 1.344 8.507 1.00 67.39 H new ATOM 0 HE2 LYS A 966 21.316 3.596 7.947 1.00 64.10 H new ATOM 0 HE3 LYS A 966 20.348 3.501 9.166 1.00 64.10 H new ATOM 0 HZ1 LYS A 966 22.027 5.118 9.404 1.00 57.19 H new ATOM 0 HZ2 LYS A 966 21.973 4.206 10.533 1.00 57.19 H new ATOM 0 HZ3 LYS A 966 23.009 4.054 9.525 1.00 57.19 H new ATOM 422 N ARG A 967 20.965 -2.642 12.397 1.00 45.98 N ATOM 423 CA ARG A 967 21.010 -4.072 12.664 1.00 39.04 C ATOM 424 C ARG A 967 21.907 -4.861 11.721 1.00 40.03 C ATOM 425 O ARG A 967 22.544 -5.835 12.133 1.00 37.24 O ATOM 426 CB ARG A 967 19.600 -4.644 12.603 1.00 43.47 C ATOM 427 CG ARG A 967 19.546 -6.130 12.848 1.00 58.72 C ATOM 428 CD ARG A 967 19.545 -6.481 14.370 1.00 76.23 C ATOM 429 NE ARG A 967 20.846 -6.254 15.006 1.00102.87 N ATOM 430 CZ ARG A 967 21.205 -6.675 16.223 1.00 74.24 C ATOM 431 NH1 ARG A 967 20.380 -7.379 16.992 1.00 90.63 N ATOM 432 NH2 ARG A 967 22.418 -6.391 16.681 1.00 57.58 N ATOM 0 H ARG A 967 20.172 -2.335 12.272 1.00 45.98 H new ATOM 0 HA ARG A 967 21.396 -4.165 13.549 1.00 39.04 H new ATOM 0 HB2 ARG A 967 19.047 -4.194 13.261 1.00 43.47 H new ATOM 0 HB3 ARG A 967 19.218 -4.452 11.732 1.00 43.47 H new ATOM 0 HG2 ARG A 967 18.749 -6.495 12.434 1.00 58.72 H new ATOM 0 HG3 ARG A 967 20.307 -6.554 12.421 1.00 58.72 H new ATOM 0 HD2 ARG A 967 18.872 -5.947 14.820 1.00 76.23 H new ATOM 0 HD3 ARG A 967 19.292 -7.411 14.483 1.00 76.23 H new ATOM 0 HE ARG A 967 21.430 -5.811 14.556 1.00102.87 H new ATOM 0 HH11 ARG A 967 19.592 -7.575 16.710 1.00 90.63 H new ATOM 0 HH12 ARG A 967 20.635 -7.638 17.771 1.00 90.63 H new ATOM 0 HH21 ARG A 967 22.966 -5.939 16.196 1.00 57.58 H new ATOM 0 HH22 ARG A 967 22.656 -6.659 17.463 1.00 57.58 H new ATOM 433 N GLY A 968 21.928 -4.446 10.458 1.00 39.83 N ATOM 434 CA GLY A 968 22.754 -5.068 9.434 1.00 51.37 C ATOM 435 C GLY A 968 24.230 -5.181 9.782 1.00 48.65 C ATOM 436 O GLY A 968 24.735 -6.264 10.033 1.00 41.43 O ATOM 0 H GLY A 968 21.456 -3.787 10.170 1.00 39.83 H new ATOM 0 HA2 GLY A 968 22.409 -5.956 9.254 1.00 51.37 H new ATOM 0 HA3 GLY A 968 22.667 -4.558 8.613 1.00 51.37 H new ATOM 437 N PRO A 969 24.941 -4.048 9.798 1.00 39.22 N ATOM 438 CA PRO A 969 26.365 -4.004 10.164 1.00 46.64 C ATOM 439 C PRO A 969 26.619 -4.393 11.622 1.00 35.10 C ATOM 440 O PRO A 969 27.718 -4.839 11.952 1.00 38.81 O ATOM 441 CB PRO A 969 26.745 -2.541 9.927 1.00 51.36 C ATOM 442 CG PRO A 969 25.450 -1.789 9.982 1.00 53.41 C ATOM 443 CD PRO A 969 24.411 -2.720 9.447 1.00 43.19 C ATOM 0 HA PRO A 969 26.887 -4.637 9.647 1.00 46.64 H new ATOM 0 HB2 PRO A 969 27.364 -2.225 10.604 1.00 51.36 H new ATOM 0 HB3 PRO A 969 27.181 -2.426 9.068 1.00 51.36 H new ATOM 0 HG2 PRO A 969 25.242 -1.522 10.891 1.00 53.41 H new ATOM 0 HG3 PRO A 969 25.496 -0.978 9.451 1.00 53.41 H new ATOM 0 HD2 PRO A 969 23.544 -2.561 9.852 1.00 43.19 H new ATOM 0 HD3 PRO A 969 24.299 -2.620 8.489 1.00 43.19 H new ATOM 444 N ALA A 970 25.621 -4.211 12.481 1.00 38.68 N ATOM 445 CA ALA A 970 25.728 -4.641 13.873 1.00 35.74 C ATOM 446 C ALA A 970 25.811 -6.160 13.958 1.00 38.35 C ATOM 447 O ALA A 970 26.453 -6.703 14.856 1.00 35.82 O ATOM 448 CB ALA A 970 24.553 -4.133 14.684 1.00 30.90 C ATOM 0 H ALA A 970 24.872 -3.840 12.278 1.00 38.68 H new ATOM 0 HA ALA A 970 26.542 -4.265 14.244 1.00 35.74 H new ATOM 0 HB1 ALA A 970 24.642 -4.429 15.604 1.00 30.90 H new ATOM 0 HB2 ALA A 970 24.536 -3.164 14.657 1.00 30.90 H new ATOM 0 HB3 ALA A 970 23.728 -4.481 14.312 1.00 30.90 H new ATOM 449 N LEU A 971 25.151 -6.844 13.027 1.00 49.22 N ATOM 450 CA LEU A 971 25.187 -8.302 12.988 1.00 44.51 C ATOM 451 C LEU A 971 26.566 -8.803 12.581 1.00 39.19 C ATOM 452 O LEU A 971 27.076 -9.770 13.145 1.00 37.25 O ATOM 453 CB LEU A 971 24.125 -8.841 12.030 1.00 42.77 C ATOM 454 CG LEU A 971 22.707 -9.009 12.579 1.00 31.48 C ATOM 455 CD1 LEU A 971 21.713 -9.146 11.442 1.00 44.21 C ATOM 456 CD2 LEU A 971 22.637 -10.216 13.495 1.00 31.70 C ATOM 0 H LEU A 971 24.676 -6.482 12.408 1.00 49.22 H new ATOM 0 HA LEU A 971 24.995 -8.629 13.881 1.00 44.51 H new ATOM 0 HB2 LEU A 971 24.082 -8.247 11.264 1.00 42.77 H new ATOM 0 HB3 LEU A 971 24.425 -9.704 11.704 1.00 42.77 H new ATOM 0 HG LEU A 971 22.478 -8.219 13.093 1.00 31.48 H new ATOM 0 HD11 LEU A 971 20.819 -9.252 11.804 1.00 44.21 H new ATOM 0 HD12 LEU A 971 21.745 -8.351 10.887 1.00 44.21 H new ATOM 0 HD13 LEU A 971 21.938 -9.923 10.907 1.00 44.21 H new ATOM 0 HD21 LEU A 971 21.734 -10.312 13.836 1.00 31.70 H new ATOM 0 HD22 LEU A 971 22.881 -11.013 12.999 1.00 31.70 H new ATOM 0 HD23 LEU A 971 23.251 -10.096 14.236 1.00 31.70 H new ATOM 457 N LYS A 972 27.162 -8.138 11.598 1.00 39.49 N ATOM 458 CA LYS A 972 28.477 -8.523 11.103 1.00 52.51 C ATOM 459 C LYS A 972 29.555 -8.294 12.155 1.00 41.18 C ATOM 460 O LYS A 972 30.429 -9.137 12.357 1.00 42.05 O ATOM 461 CB LYS A 972 28.819 -7.748 9.831 1.00 53.11 C ATOM 462 CG LYS A 972 27.646 -7.546 8.892 1.00 39.35 C ATOM 463 CD LYS A 972 28.083 -6.813 7.637 1.00 45.18 C ATOM 464 CE LYS A 972 26.923 -6.079 6.998 1.00 38.75 C ATOM 465 NZ LYS A 972 27.333 -5.403 5.737 1.00 39.55 N1+ ATOM 0 H LYS A 972 26.819 -7.456 11.202 1.00 39.49 H new ATOM 0 HA LYS A 972 28.447 -9.471 10.899 1.00 52.51 H new ATOM 0 HB2 LYS A 972 29.175 -6.880 10.079 1.00 53.11 H new ATOM 0 HB3 LYS A 972 29.522 -8.218 9.357 1.00 53.11 H new ATOM 0 HG2 LYS A 972 27.265 -8.406 8.654 1.00 39.35 H new ATOM 0 HG3 LYS A 972 26.950 -7.041 9.341 1.00 39.35 H new ATOM 0 HD2 LYS A 972 28.786 -6.182 7.856 1.00 45.18 H new ATOM 0 HD3 LYS A 972 28.457 -7.446 7.004 1.00 45.18 H new ATOM 0 HE2 LYS A 972 26.205 -6.705 6.812 1.00 38.75 H new ATOM 0 HE3 LYS A 972 26.573 -5.422 7.620 1.00 38.75 H new ATOM 0 HZ1 LYS A 972 26.740 -4.772 5.532 1.00 39.55 H new ATOM 0 HZ2 LYS A 972 28.135 -5.032 5.846 1.00 39.55 H new ATOM 0 HZ3 LYS A 972 27.370 -6.000 5.078 1.00 39.55 H new ATOM 466 N ILE A 973 29.486 -7.145 12.820 1.00 37.33 N ATOM 467 CA ILE A 973 30.445 -6.801 13.863 1.00 34.63 C ATOM 468 C ILE A 973 30.378 -7.802 15.013 1.00 32.89 C ATOM 469 O ILE A 973 31.408 -8.262 15.501 1.00 36.66 O ATOM 470 CB ILE A 973 30.205 -5.373 14.397 1.00 26.59 C ATOM 471 CG1 ILE A 973 30.493 -4.345 13.300 1.00 40.09 C ATOM 472 CG2 ILE A 973 31.080 -5.096 15.606 1.00 26.17 C ATOM 473 CD1 ILE A 973 30.343 -2.907 13.748 1.00 34.97 C ATOM 0 H ILE A 973 28.885 -6.546 12.680 1.00 37.33 H new ATOM 0 HA ILE A 973 31.330 -6.835 13.466 1.00 34.63 H new ATOM 0 HB ILE A 973 29.276 -5.301 14.666 1.00 26.59 H new ATOM 0 HG12 ILE A 973 31.396 -4.479 12.973 1.00 40.09 H new ATOM 0 HG13 ILE A 973 29.894 -4.506 12.554 1.00 40.09 H new ATOM 0 HG21 ILE A 973 30.915 -4.195 15.926 1.00 26.17 H new ATOM 0 HG22 ILE A 973 30.872 -5.732 16.309 1.00 26.17 H new ATOM 0 HG23 ILE A 973 32.013 -5.184 15.357 1.00 26.17 H new ATOM 0 HD11 ILE A 973 30.540 -2.314 13.006 1.00 34.97 H new ATOM 0 HD12 ILE A 973 29.434 -2.755 14.050 1.00 34.97 H new ATOM 0 HD13 ILE A 973 30.959 -2.729 14.476 1.00 34.97 H new HETATM 474 N CME A 974 29.163 -8.150 15.428 1.00 43.35 N HETATM 475 CA CME A 974 28.961 -9.109 16.497 1.00 32.07 C HETATM 476 CB CME A 974 27.500 -9.399 16.858 1.00 38.48 C HETATM 477 SG CME A 974 27.240 -10.017 18.484 1.00 60.26 S HETATM 478 SD CME A 974 28.314 -8.774 19.804 1.00 59.70 S HETATM 479 CE CME A 974 29.744 -9.657 20.320 1.00 44.68 C HETATM 480 CZ CME A 974 29.426 -10.825 21.226 1.00 48.57 C HETATM 481 OH CME A 974 30.668 -11.415 21.582 1.00 53.87 O HETATM 482 C CME A 974 29.585 -10.446 16.124 1.00 38.94 C HETATM 483 O CME A 974 30.245 -11.136 16.904 1.00 51.29 O HETATM 0 HZ3 CME A 974 28.947 -10.528 22.015 1.00 48.57 H new HETATM 0 HZ2 CME A 974 28.857 -11.467 20.773 1.00 48.57 H new HETATM 0 HH CME A 974 30.749 -12.155 21.192 1.00 53.87 H new HETATM 0 HE3 CME A 974 30.217 -9.981 19.538 1.00 44.68 H new HETATM 0 HE2 CME A 974 30.343 -9.050 20.782 1.00 44.68 H new HETATM 0 HB3 CME A 974 26.987 -8.583 16.752 1.00 38.48 H new HETATM 0 HB2 CME A 974 27.146 -10.041 16.223 1.00 38.48 H new HETATM 0 HA CME A 974 29.377 -8.690 17.266 1.00 32.07 H new HETATM 0 H CME A 974 28.485 -7.786 15.043 1.00 43.35 H new ATOM 484 N ALA A 975 29.362 -10.820 14.869 1.00 38.44 N ATOM 485 CA ALA A 975 29.833 -12.096 14.343 1.00 37.17 C ATOM 486 C ALA A 975 31.355 -12.182 14.326 1.00 40.16 C ATOM 487 O ALA A 975 31.930 -13.210 14.686 1.00 47.14 O ATOM 488 CB ALA A 975 29.279 -12.323 12.946 1.00 34.14 C ATOM 0 H ALA A 975 28.933 -10.341 14.298 1.00 38.44 H new ATOM 0 HA ALA A 975 29.510 -12.792 14.936 1.00 37.17 H new ATOM 0 HB1 ALA A 975 29.598 -13.173 12.605 1.00 34.14 H new ATOM 0 HB2 ALA A 975 28.310 -12.332 12.980 1.00 34.14 H new ATOM 0 HB3 ALA A 975 29.575 -11.609 12.360 1.00 34.14 H new ATOM 489 N ARG A 976 32.007 -11.102 13.907 1.00 42.64 N ATOM 490 CA ARG A 976 33.463 -11.082 13.830 1.00 38.88 C ATOM 491 C ARG A 976 34.101 -11.030 15.211 1.00 27.64 C ATOM 492 O ARG A 976 35.170 -11.598 15.425 1.00 36.20 O ATOM 493 CB ARG A 976 33.942 -9.906 12.978 1.00 43.73 C ATOM 494 CG ARG A 976 33.913 -10.206 11.491 1.00 39.40 C ATOM 495 CD ARG A 976 34.517 -11.580 11.223 1.00 41.53 C ATOM 496 NE ARG A 976 34.396 -11.984 9.826 1.00 62.12 N ATOM 497 CZ ARG A 976 34.630 -13.215 9.383 1.00 71.58 C ATOM 498 NH1 ARG A 976 34.993 -14.167 10.233 1.00 65.63 N1+ ATOM 499 NH2 ARG A 976 34.497 -13.496 8.093 1.00 43.08 N ATOM 0 H ARG A 976 31.625 -10.371 13.663 1.00 42.64 H new ATOM 0 HA ARG A 976 33.742 -11.910 13.408 1.00 38.88 H new ATOM 0 HB2 ARG A 976 33.384 -9.133 13.159 1.00 43.73 H new ATOM 0 HB3 ARG A 976 34.846 -9.671 13.239 1.00 43.73 H new ATOM 0 HG2 ARG A 976 33.000 -10.177 11.166 1.00 39.40 H new ATOM 0 HG3 ARG A 976 34.408 -9.527 11.007 1.00 39.40 H new ATOM 0 HD2 ARG A 976 35.454 -11.572 11.474 1.00 41.53 H new ATOM 0 HD3 ARG A 976 34.078 -12.238 11.785 1.00 41.53 H new ATOM 0 HE ARG A 976 34.158 -11.388 9.253 1.00 62.12 H new ATOM 0 HH11 ARG A 976 35.077 -13.987 11.070 1.00 65.63 H new ATOM 0 HH12 ARG A 976 35.145 -14.964 9.947 1.00 65.63 H new ATOM 0 HH21 ARG A 976 34.259 -12.881 7.541 1.00 43.08 H new ATOM 0 HH22 ARG A 976 34.649 -14.293 7.809 1.00 43.08 H new ATOM 500 N ILE A 977 33.444 -10.348 16.143 1.00 33.10 N ATOM 501 CA ILE A 977 33.901 -10.322 17.527 1.00 38.18 C ATOM 502 C ILE A 977 33.792 -11.724 18.114 1.00 41.95 C ATOM 503 O ILE A 977 34.666 -12.167 18.858 1.00 37.00 O ATOM 504 CB ILE A 977 33.091 -9.324 18.381 1.00 36.60 C ATOM 505 CG1 ILE A 977 33.326 -7.894 17.895 1.00 39.03 C ATOM 506 CG2 ILE A 977 33.475 -9.433 19.846 1.00 32.14 C ATOM 507 CD1 ILE A 977 32.446 -6.870 18.576 1.00 36.34 C ATOM 0 H ILE A 977 32.730 -9.893 15.994 1.00 33.10 H new ATOM 0 HA ILE A 977 34.825 -10.026 17.538 1.00 38.18 H new ATOM 0 HB ILE A 977 32.151 -9.543 18.287 1.00 36.60 H new ATOM 0 HG12 ILE A 977 34.256 -7.659 18.042 1.00 39.03 H new ATOM 0 HG13 ILE A 977 33.172 -7.856 16.938 1.00 39.03 H new ATOM 0 HG21 ILE A 977 32.956 -8.799 20.365 1.00 32.14 H new ATOM 0 HG22 ILE A 977 33.295 -10.332 20.162 1.00 32.14 H new ATOM 0 HG23 ILE A 977 34.420 -9.237 19.949 1.00 32.14 H new ATOM 0 HD11 ILE A 977 32.644 -5.988 18.224 1.00 36.34 H new ATOM 0 HD12 ILE A 977 31.514 -7.082 18.410 1.00 36.34 H new ATOM 0 HD13 ILE A 977 32.615 -6.882 19.531 1.00 36.34 H new ATOM 508 N ASN A 978 32.721 -12.425 17.759 1.00 42.28 N ATOM 509 CA ASN A 978 32.529 -13.798 18.205 1.00 39.84 C ATOM 510 C ASN A 978 33.559 -14.746 17.598 1.00 40.75 C ATOM 511 O ASN A 978 34.029 -15.667 18.265 1.00 28.95 O ATOM 512 CB ASN A 978 31.113 -14.271 17.872 1.00 29.74 C ATOM 513 CG ASN A 978 30.083 -13.771 18.868 1.00 43.29 C ATOM 514 OD1 ASN A 978 30.355 -13.682 20.065 1.00 42.43 O ATOM 515 ND2 ASN A 978 28.892 -13.444 18.377 1.00 50.25 N ATOM 0 H ASN A 978 32.091 -12.122 17.258 1.00 42.28 H new ATOM 0 HA ASN A 978 32.653 -13.811 19.167 1.00 39.84 H new ATOM 0 HB2 ASN A 978 30.874 -13.965 16.983 1.00 29.74 H new ATOM 0 HB3 ASN A 978 31.095 -15.241 17.853 1.00 29.74 H new ATOM 0 HD21 ASN A 978 28.274 -13.157 18.902 1.00 50.25 H new ATOM 0 HD22 ASN A 978 28.739 -13.520 17.534 1.00 50.25 H new ATOM 516 N SER A 979 33.910 -14.516 16.336 1.00 43.06 N ATOM 517 CA SER A 979 34.943 -15.309 15.677 1.00 53.48 C ATOM 518 C SER A 979 36.311 -15.014 16.286 1.00 52.22 C ATOM 519 O SER A 979 37.225 -15.835 16.218 1.00 59.40 O ATOM 520 CB SER A 979 34.964 -15.037 14.171 1.00 58.58 C ATOM 521 OG SER A 979 33.869 -15.667 13.523 1.00 76.37 O ATOM 0 H SER A 979 33.561 -13.904 15.843 1.00 43.06 H new ATOM 0 HA SER A 979 34.736 -16.247 15.814 1.00 53.48 H new ATOM 0 HB2 SER A 979 34.932 -14.081 14.011 1.00 58.58 H new ATOM 0 HB3 SER A 979 35.797 -15.360 13.793 1.00 58.58 H new ATOM 0 HG SER A 979 33.899 -15.504 12.700 1.00 76.37 H new ATOM 522 N LEU A 980 36.439 -13.838 16.889 1.00 45.18 N ATOM 523 CA LEU A 980 37.680 -13.440 17.542 1.00 34.66 C ATOM 524 C LEU A 980 37.862 -14.201 18.852 1.00 42.64 C ATOM 525 O LEU A 980 38.910 -14.802 19.096 1.00 46.59 O ATOM 526 CB LEU A 980 37.687 -11.934 17.800 1.00 40.75 C ATOM 527 CG LEU A 980 38.976 -11.182 17.472 1.00 49.29 C ATOM 528 CD1 LEU A 980 39.404 -11.436 16.031 1.00 57.53 C ATOM 529 CD2 LEU A 980 38.802 -9.691 17.728 1.00 35.50 C ATOM 0 H LEU A 980 35.812 -13.251 16.931 1.00 45.18 H new ATOM 0 HA LEU A 980 38.419 -13.657 16.953 1.00 34.66 H new ATOM 0 HB2 LEU A 980 36.967 -11.536 17.286 1.00 40.75 H new ATOM 0 HB3 LEU A 980 37.482 -11.787 18.737 1.00 40.75 H new ATOM 0 HG LEU A 980 39.677 -11.514 18.054 1.00 49.29 H new ATOM 0 HD11 LEU A 980 40.223 -10.950 15.846 1.00 57.53 H new ATOM 0 HD12 LEU A 980 39.556 -12.385 15.901 1.00 57.53 H new ATOM 0 HD13 LEU A 980 38.706 -11.135 15.428 1.00 57.53 H new ATOM 0 HD21 LEU A 980 39.627 -9.228 17.516 1.00 35.50 H new ATOM 0 HD22 LEU A 980 38.086 -9.348 17.170 1.00 35.50 H new ATOM 0 HD23 LEU A 980 38.581 -9.546 18.661 1.00 35.50 H new ATOM 530 N LYS A 981 36.830 -14.168 19.691 1.00 37.93 N ATOM 531 CA LYS A 981 36.852 -14.875 20.965 1.00 29.37 C ATOM 532 C LYS A 981 36.909 -16.383 20.743 1.00 37.98 C ATOM 533 O LYS A 981 37.436 -17.122 21.574 1.00 53.86 O ATOM 534 CB LYS A 981 35.626 -14.508 21.804 1.00 33.21 C ATOM 535 CG LYS A 981 35.396 -13.013 21.950 1.00 34.18 C ATOM 536 CD LYS A 981 34.209 -12.733 22.865 1.00 32.90 C ATOM 537 CE LYS A 981 33.999 -11.232 23.072 1.00 47.66 C ATOM 538 NZ LYS A 981 32.837 -10.930 23.966 1.00 43.67 N1+ ATOM 0 H LYS A 981 36.102 -13.737 19.538 1.00 37.93 H new ATOM 0 HA LYS A 981 37.649 -14.605 21.448 1.00 29.37 H new ATOM 0 HB2 LYS A 981 34.839 -14.908 21.401 1.00 33.21 H new ATOM 0 HB3 LYS A 981 35.722 -14.898 22.687 1.00 33.21 H new ATOM 0 HG2 LYS A 981 36.193 -12.593 22.310 1.00 34.18 H new ATOM 0 HG3 LYS A 981 35.237 -12.620 21.078 1.00 34.18 H new ATOM 0 HD2 LYS A 981 33.407 -13.123 22.484 1.00 32.90 H new ATOM 0 HD3 LYS A 981 34.353 -13.162 23.723 1.00 32.90 H new ATOM 0 HE2 LYS A 981 34.804 -10.846 23.452 1.00 47.66 H new ATOM 0 HE3 LYS A 981 33.859 -10.807 22.211 1.00 47.66 H new ATOM 0 HZ1 LYS A 981 32.489 -10.141 23.744 1.00 43.67 H new ATOM 0 HZ2 LYS A 981 32.219 -11.563 23.874 1.00 43.67 H new ATOM 0 HZ3 LYS A 981 33.112 -10.905 24.812 1.00 43.67 H new ATOM 539 N GLU A 982 36.424 -16.833 19.598 1.00 56.86 N ATOM 540 CA GLU A 982 36.399 -18.255 19.288 1.00 61.21 C ATOM 541 C GLU A 982 37.791 -18.832 19.109 1.00 70.94 C ATOM 542 O GLU A 982 38.384 -19.359 20.043 1.00 72.85 O ATOM 543 CB GLU A 982 35.583 -18.519 18.025 1.00 55.07 C ATOM 544 CG GLU A 982 35.691 -19.951 17.530 1.00 71.47 C ATOM 545 CD GLU A 982 35.606 -20.067 16.022 1.00 92.19 C ATOM 546 OE1 GLU A 982 35.485 -19.028 15.348 1.00 74.66 O ATOM 547 OE2 GLU A 982 35.658 -21.203 15.510 1.00 92.44 O1+ ATOM 0 H GLU A 982 36.101 -16.328 18.981 1.00 56.86 H new ATOM 0 HA GLU A 982 35.984 -18.694 20.047 1.00 61.21 H new ATOM 0 HB2 GLU A 982 34.651 -18.313 18.200 1.00 55.07 H new ATOM 0 HB3 GLU A 982 35.879 -17.918 17.324 1.00 55.07 H new ATOM 0 HG2 GLU A 982 36.532 -20.329 17.831 1.00 71.47 H new ATOM 0 HG3 GLU A 982 34.983 -20.480 17.930 1.00 71.47 H new ATOM 548 N SER A 983 38.300 -18.746 17.888 1.00 68.27 N ATOM 549 CA SER A 983 39.601 -19.304 17.567 1.00 79.89 C ATOM 550 C SER A 983 40.664 -18.314 17.983 1.00 71.33 C ATOM 551 O SER A 983 40.913 -17.319 17.307 1.00 81.50 O ATOM 552 CB SER A 983 39.698 -19.655 16.087 1.00 66.58 C ATOM 553 OG SER A 983 39.493 -21.039 15.908 1.00 57.27 O ATOM 0 H SER A 983 37.903 -18.365 17.227 1.00 68.27 H new ATOM 0 HA SER A 983 39.733 -20.133 18.053 1.00 79.89 H new ATOM 0 HB2 SER A 983 39.037 -19.154 15.584 1.00 66.58 H new ATOM 0 HB3 SER A 983 40.569 -19.402 15.743 1.00 66.58 H new ATOM 0 HG SER A 983 39.546 -21.227 15.091 1.00 57.27 H new ATOM 554 N ARG A 984 41.264 -18.603 19.130 1.00 30.00 N ATOM 555 CA ARG A 984 42.159 -17.702 19.821 1.00 30.00 C ATOM 556 C ARG A 984 42.161 -18.132 21.278 1.00 30.00 C ATOM 557 O ARG A 984 41.402 -19.019 21.665 1.00 30.00 O ATOM 558 CB ARG A 984 41.668 -16.263 19.695 1.00 20.00 C ATOM 559 CG ARG A 984 42.161 -15.323 20.779 1.00 20.00 C ATOM 560 CD ARG A 984 41.214 -15.304 21.960 1.00 20.00 C ATOM 561 NE ARG A 984 41.467 -14.164 22.828 1.00 20.00 N ATOM 562 CZ ARG A 984 40.521 -13.447 23.423 1.00 20.00 C ATOM 563 NH1 ARG A 984 39.244 -13.751 23.246 1.00 20.00 N ATOM 564 NH2 ARG A 984 40.854 -12.425 24.202 1.00 20.00 N ATOM 0 H ARG A 984 41.155 -19.353 19.536 1.00 30.00 H new ATOM 0 HA ARG A 984 43.051 -17.737 19.442 1.00 30.00 H new ATOM 0 HB2 ARG A 984 41.945 -15.915 18.833 1.00 20.00 H new ATOM 0 HB3 ARG A 984 40.698 -16.264 19.703 1.00 20.00 H new ATOM 0 HG2 ARG A 984 43.043 -15.599 21.073 1.00 20.00 H new ATOM 0 HG3 ARG A 984 42.250 -14.427 20.418 1.00 20.00 H new ATOM 0 HD2 ARG A 984 40.298 -15.273 21.641 1.00 20.00 H new ATOM 0 HD3 ARG A 984 41.310 -16.126 22.467 1.00 20.00 H new ATOM 0 HE ARG A 984 42.286 -13.939 22.965 1.00 20.00 H new ATOM 0 HH11 ARG A 984 39.025 -14.415 22.744 1.00 20.00 H new ATOM 0 HH12 ARG A 984 38.633 -13.285 23.633 1.00 20.00 H new ATOM 0 HH21 ARG A 984 41.682 -12.227 24.321 1.00 20.00 H new ATOM 0 HH22 ARG A 984 40.241 -11.961 24.587 1.00 20.00 H new TER 565 ARG A 984 ATOM 566 N ARG B 913 43.979 -2.077 50.022 1.00 53.20 N ATOM 567 CA ARG B 913 43.875 -2.538 51.402 1.00 83.23 C ATOM 568 C ARG B 913 42.713 -1.871 52.130 1.00 83.88 C ATOM 569 O ARG B 913 42.696 -1.806 53.360 1.00 89.54 O ATOM 570 CB ARG B 913 45.180 -2.274 52.158 1.00110.00 C ATOM 571 CG ARG B 913 45.828 -3.533 52.707 1.00 98.02 C ATOM 572 CD ARG B 913 44.794 -4.407 53.400 1.00105.66 C ATOM 573 NE ARG B 913 45.124 -5.825 53.301 1.00119.69 N ATOM 574 CZ ARG B 913 44.914 -6.567 52.218 1.00129.28 C ATOM 575 NH1 ARG B 913 44.377 -6.024 51.134 1.00126.39 N ATOM 576 NH2 ARG B 913 45.245 -7.851 52.217 1.00120.98 N ATOM 0 HA ARG B 913 43.708 -3.493 51.376 1.00 83.23 H new ATOM 0 HB2 ARG B 913 45.805 -1.830 51.564 1.00110.00 H new ATOM 0 HB3 ARG B 913 45.003 -1.664 52.891 1.00110.00 H new ATOM 0 HG2 ARG B 913 46.247 -4.028 51.986 1.00 98.02 H new ATOM 0 HG3 ARG B 913 46.530 -3.295 53.333 1.00 98.02 H new ATOM 0 HD2 ARG B 913 44.732 -4.154 54.334 1.00105.66 H new ATOM 0 HD3 ARG B 913 43.922 -4.250 53.005 1.00105.66 H new ATOM 0 HE ARG B 913 45.477 -6.205 53.987 1.00119.69 H new ATOM 0 HH11 ARG B 913 44.164 -5.191 51.131 1.00126.39 H new ATOM 0 HH12 ARG B 913 44.242 -6.505 50.434 1.00126.39 H new ATOM 0 HH21 ARG B 913 45.596 -8.205 52.918 1.00120.98 H new ATOM 0 HH22 ARG B 913 45.109 -8.330 51.516 1.00120.98 H new ATOM 577 N THR B 914 41.742 -1.380 51.366 1.00 87.90 N ATOM 578 CA THR B 914 40.590 -0.696 51.942 1.00 93.81 C ATOM 579 C THR B 914 39.303 -1.016 51.183 1.00 81.36 C ATOM 580 O THR B 914 39.297 -1.094 49.953 1.00 81.44 O ATOM 581 CB THR B 914 40.805 0.832 51.967 1.00 74.40 C ATOM 582 OG1 THR B 914 39.567 1.488 52.266 1.00 86.49 O ATOM 583 CG2 THR B 914 41.323 1.324 50.622 1.00 56.98 C ATOM 0 H THR B 914 41.732 -1.433 50.508 1.00 87.90 H new ATOM 0 HA THR B 914 40.500 -1.020 52.852 1.00 93.81 H new ATOM 0 HB THR B 914 41.461 1.039 52.650 1.00 74.40 H new ATOM 0 HG1 THR B 914 39.687 2.319 52.280 1.00 86.49 H new ATOM 0 HG21 THR B 914 41.452 2.285 50.656 1.00 56.98 H new ATOM 0 HG22 THR B 914 42.168 0.892 50.423 1.00 56.98 H new ATOM 0 HG23 THR B 914 40.679 1.109 49.929 1.00 56.98 H new ATOM 584 N GLU B 915 38.218 -1.203 51.929 1.00 59.52 N ATOM 585 CA GLU B 915 36.919 -1.529 51.349 1.00 52.42 C ATOM 586 C GLU B 915 36.419 -0.374 50.483 1.00 49.58 C ATOM 587 O GLU B 915 36.517 0.785 50.879 1.00 45.54 O ATOM 588 CB GLU B 915 35.908 -1.851 52.454 1.00 67.39 C ATOM 589 CG GLU B 915 34.862 -2.888 52.068 1.00 65.88 C ATOM 590 CD GLU B 915 33.447 -2.350 52.142 1.00 71.77 C ATOM 591 OE1 GLU B 915 33.119 -1.679 53.144 1.00 73.57 O ATOM 592 OE2 GLU B 915 32.665 -2.591 51.198 1.00 53.35 O1+ ATOM 0 H GLU B 915 38.215 -1.144 52.787 1.00 59.52 H new ATOM 0 HA GLU B 915 37.018 -2.313 50.787 1.00 52.42 H new ATOM 0 HB2 GLU B 915 36.389 -2.168 53.235 1.00 67.39 H new ATOM 0 HB3 GLU B 915 35.456 -1.032 52.712 1.00 67.39 H new ATOM 0 HG2 GLU B 915 35.039 -3.199 51.166 1.00 65.88 H new ATOM 0 HG3 GLU B 915 34.943 -3.656 52.654 1.00 65.88 H new ATOM 593 N PRO B 916 35.886 -0.690 49.292 1.00 44.71 N ATOM 594 CA PRO B 916 35.472 0.344 48.336 1.00 41.15 C ATOM 595 C PRO B 916 34.357 1.251 48.848 1.00 43.07 C ATOM 596 O PRO B 916 34.309 2.414 48.459 1.00 37.45 O ATOM 597 CB PRO B 916 34.991 -0.468 47.127 1.00 26.08 C ATOM 598 CG PRO B 916 34.668 -1.815 47.673 1.00 35.38 C ATOM 599 CD PRO B 916 35.661 -2.045 48.765 1.00 50.31 C ATOM 0 HA PRO B 916 36.201 0.955 48.146 1.00 41.15 H new ATOM 0 HB2 PRO B 916 34.213 -0.059 46.716 1.00 26.08 H new ATOM 0 HB3 PRO B 916 35.677 -0.521 46.444 1.00 26.08 H new ATOM 0 HG2 PRO B 916 33.760 -1.847 48.013 1.00 35.38 H new ATOM 0 HG3 PRO B 916 34.738 -2.497 46.987 1.00 35.38 H new ATOM 0 HD2 PRO B 916 35.315 -2.643 49.446 1.00 50.31 H new ATOM 0 HD3 PRO B 916 36.480 -2.441 48.429 1.00 50.31 H new ATOM 600 N SER B 917 33.487 0.735 49.709 1.00 43.27 N ATOM 601 CA SER B 917 32.344 1.508 50.189 1.00 42.54 C ATOM 602 C SER B 917 32.769 2.739 50.987 1.00 44.24 C ATOM 603 O SER B 917 32.007 3.697 51.115 1.00 38.26 O ATOM 604 CB SER B 917 31.429 0.631 51.044 1.00 43.46 C ATOM 605 OG SER B 917 32.039 0.325 52.287 1.00 60.31 O ATOM 0 H SER B 917 33.539 -0.062 50.029 1.00 43.27 H new ATOM 0 HA SER B 917 31.863 1.817 49.405 1.00 42.54 H new ATOM 0 HB2 SER B 917 30.587 1.088 51.196 1.00 43.46 H new ATOM 0 HB3 SER B 917 31.225 -0.190 50.569 1.00 43.46 H new ATOM 0 HG SER B 917 31.860 -0.468 52.500 1.00 60.31 H new ATOM 606 N ILE B 918 33.988 2.714 51.517 1.00 40.59 N ATOM 607 CA ILE B 918 34.497 3.836 52.294 1.00 38.70 C ATOM 608 C ILE B 918 35.506 4.657 51.499 1.00 43.74 C ATOM 609 O ILE B 918 36.092 5.603 52.025 1.00 41.13 O ATOM 610 CB ILE B 918 35.151 3.365 53.609 1.00 39.92 C ATOM 611 CG1 ILE B 918 36.503 2.705 53.336 1.00 43.43 C ATOM 612 CG2 ILE B 918 34.224 2.417 54.349 1.00 42.83 C ATOM 613 CD1 ILE B 918 37.204 2.202 54.581 1.00 55.41 C ATOM 0 H ILE B 918 34.536 2.056 51.438 1.00 40.59 H new ATOM 0 HA ILE B 918 33.732 4.394 52.504 1.00 38.70 H new ATOM 0 HB ILE B 918 35.306 4.140 54.171 1.00 39.92 H new ATOM 0 HG12 ILE B 918 36.373 1.962 52.726 1.00 43.43 H new ATOM 0 HG13 ILE B 918 37.079 3.343 52.887 1.00 43.43 H new ATOM 0 HG21 ILE B 918 34.647 2.128 55.173 1.00 42.83 H new ATOM 0 HG22 ILE B 918 33.392 2.872 54.555 1.00 42.83 H new ATOM 0 HG23 ILE B 918 34.040 1.644 53.793 1.00 42.83 H new ATOM 0 HD11 ILE B 918 38.051 1.797 54.335 1.00 55.41 H new ATOM 0 HD12 ILE B 918 37.364 2.944 55.185 1.00 55.41 H new ATOM 0 HD13 ILE B 918 36.647 1.542 55.022 1.00 55.41 H new ATOM 614 N TRP B 919 35.705 4.292 50.234 1.00 47.07 N ATOM 615 CA TRP B 919 36.593 5.042 49.350 1.00 44.15 C ATOM 616 C TRP B 919 36.143 6.489 49.218 1.00 41.22 C ATOM 617 O TRP B 919 34.979 6.762 48.925 1.00 42.51 O ATOM 618 CB TRP B 919 36.657 4.406 47.958 1.00 35.29 C ATOM 619 CG TRP B 919 37.510 3.182 47.870 1.00 39.61 C ATOM 620 CD1 TRP B 919 38.193 2.580 48.885 1.00 32.46 C ATOM 621 CD2 TRP B 919 37.775 2.408 46.693 1.00 49.70 C ATOM 622 NE1 TRP B 919 38.864 1.477 48.414 1.00 44.30 N ATOM 623 CE2 TRP B 919 38.624 1.350 47.070 1.00 50.78 C ATOM 624 CE3 TRP B 919 37.374 2.506 45.356 1.00 40.43 C ATOM 625 CZ2 TRP B 919 39.081 0.397 46.162 1.00 45.34 C ATOM 626 CZ3 TRP B 919 37.827 1.560 44.456 1.00 22.61 C ATOM 627 CH2 TRP B 919 38.672 0.519 44.862 1.00 36.12 C ATOM 0 H TRP B 919 35.333 3.609 49.867 1.00 47.07 H new ATOM 0 HA TRP B 919 37.476 5.019 49.750 1.00 44.15 H new ATOM 0 HB2 TRP B 919 35.757 4.179 47.678 1.00 35.29 H new ATOM 0 HB3 TRP B 919 36.992 5.065 47.330 1.00 35.29 H new ATOM 0 HD1 TRP B 919 38.203 2.873 49.768 1.00 32.46 H new ATOM 0 HE1 TRP B 919 39.355 0.952 48.886 1.00 44.30 H new ATOM 0 HE3 TRP B 919 36.814 3.194 45.078 1.00 40.43 H new ATOM 0 HZ2 TRP B 919 39.642 -0.295 46.429 1.00 45.34 H new ATOM 0 HZ3 TRP B 919 37.566 1.615 43.565 1.00 22.61 H new ATOM 0 HH2 TRP B 919 38.961 -0.103 44.234 1.00 36.12 H new ATOM 628 N THR B 920 37.070 7.415 49.431 1.00 29.48 N ATOM 629 CA THR B 920 36.782 8.828 49.238 1.00 31.72 C ATOM 630 C THR B 920 36.687 9.133 47.751 1.00 39.12 C ATOM 631 O THR B 920 36.866 8.247 46.915 1.00 40.00 O ATOM 632 CB THR B 920 37.858 9.722 49.874 1.00 32.73 C ATOM 633 OG1 THR B 920 39.091 9.569 49.160 1.00 46.56 O ATOM 634 CG2 THR B 920 38.067 9.349 51.332 1.00 38.09 C ATOM 0 H THR B 920 37.873 7.245 49.688 1.00 29.48 H new ATOM 0 HA THR B 920 35.937 9.019 49.674 1.00 31.72 H new ATOM 0 HB THR B 920 37.564 10.645 49.827 1.00 32.73 H new ATOM 0 HG1 THR B 920 39.679 10.059 49.507 1.00 46.56 H new ATOM 0 HG21 THR B 920 38.748 9.922 51.718 1.00 38.09 H new ATOM 0 HG22 THR B 920 37.235 9.463 51.818 1.00 38.09 H new ATOM 0 HG23 THR B 920 38.351 8.424 51.392 1.00 38.09 H new ATOM 635 N VAL B 921 36.408 10.390 47.426 1.00 41.12 N ATOM 636 CA VAL B 921 36.356 10.825 46.036 1.00 37.80 C ATOM 637 C VAL B 921 37.716 10.622 45.370 1.00 43.22 C ATOM 638 O VAL B 921 37.798 10.186 44.221 1.00 42.50 O ATOM 639 CB VAL B 921 35.934 12.304 45.924 1.00 31.91 C ATOM 640 CG1 VAL B 921 36.031 12.784 44.486 1.00 31.84 C ATOM 641 CG2 VAL B 921 34.520 12.493 46.457 1.00 39.19 C ATOM 0 H VAL B 921 36.245 11.010 47.999 1.00 41.12 H new ATOM 0 HA VAL B 921 35.690 10.286 45.581 1.00 37.80 H new ATOM 0 HB VAL B 921 36.541 12.837 46.462 1.00 31.91 H new ATOM 0 HG11 VAL B 921 35.762 13.715 44.436 1.00 31.84 H new ATOM 0 HG12 VAL B 921 36.946 12.695 44.176 1.00 31.84 H new ATOM 0 HG13 VAL B 921 35.447 12.249 43.926 1.00 31.84 H new ATOM 0 HG21 VAL B 921 34.267 13.426 46.381 1.00 39.19 H new ATOM 0 HG22 VAL B 921 33.904 11.949 45.942 1.00 39.19 H new ATOM 0 HG23 VAL B 921 34.486 12.224 47.388 1.00 39.19 H new ATOM 642 N ASP B 922 38.782 10.918 46.107 1.00 46.81 N ATOM 643 CA ASP B 922 40.134 10.787 45.576 1.00 39.64 C ATOM 644 C ASP B 922 40.555 9.327 45.425 1.00 39.87 C ATOM 645 O ASP B 922 41.312 8.988 44.514 1.00 47.21 O ATOM 646 CB ASP B 922 41.134 11.529 46.463 1.00 41.76 C ATOM 647 CG ASP B 922 41.062 13.034 46.288 1.00 47.71 C ATOM 648 OD1 ASP B 922 40.367 13.494 45.358 1.00 38.49 O ATOM 649 OD2 ASP B 922 41.711 13.757 47.070 1.00 63.95 O1+ ATOM 0 H ASP B 922 38.743 11.197 46.919 1.00 46.81 H new ATOM 0 HA ASP B 922 40.131 11.186 44.692 1.00 39.64 H new ATOM 0 HB2 ASP B 922 40.965 11.306 47.392 1.00 41.76 H new ATOM 0 HB3 ASP B 922 42.032 11.225 46.257 1.00 41.76 H new ATOM 650 N ASP B 923 40.068 8.467 46.315 1.00 29.79 N ATOM 651 CA ASP B 923 40.345 7.038 46.211 1.00 41.02 C ATOM 652 C ASP B 923 39.753 6.479 44.922 1.00 38.33 C ATOM 653 O ASP B 923 40.343 5.612 44.279 1.00 34.72 O ATOM 654 CB ASP B 923 39.787 6.281 47.418 1.00 32.03 C ATOM 655 CG ASP B 923 40.490 6.647 48.711 1.00 38.95 C ATOM 656 OD1 ASP B 923 41.606 7.203 48.646 1.00 43.76 O ATOM 657 OD2 ASP B 923 39.930 6.369 49.792 1.00 41.67 O1+ ATOM 0 H ASP B 923 39.576 8.690 46.985 1.00 29.79 H new ATOM 0 HA ASP B 923 41.307 6.918 46.196 1.00 41.02 H new ATOM 0 HB2 ASP B 923 38.839 6.470 47.504 1.00 32.03 H new ATOM 0 HB3 ASP B 923 39.873 5.327 47.266 1.00 32.03 H new ATOM 658 N VAL B 924 38.586 6.991 44.549 1.00 42.02 N ATOM 659 CA VAL B 924 37.914 6.572 43.325 1.00 45.12 C ATOM 660 C VAL B 924 38.656 7.082 42.091 1.00 39.71 C ATOM 661 O VAL B 924 38.796 6.361 41.101 1.00 37.26 O ATOM 662 CB VAL B 924 36.454 7.061 43.298 1.00 35.48 C ATOM 663 CG1 VAL B 924 35.845 6.891 41.916 1.00 35.02 C ATOM 664 CG2 VAL B 924 35.637 6.313 44.335 1.00 32.61 C ATOM 0 H VAL B 924 38.162 7.590 44.997 1.00 42.02 H new ATOM 0 HA VAL B 924 37.915 5.602 43.310 1.00 45.12 H new ATOM 0 HB VAL B 924 36.445 8.007 43.512 1.00 35.48 H new ATOM 0 HG11 VAL B 924 34.927 7.206 41.926 1.00 35.02 H new ATOM 0 HG12 VAL B 924 36.356 7.405 41.272 1.00 35.02 H new ATOM 0 HG13 VAL B 924 35.862 5.954 41.668 1.00 35.02 H new ATOM 0 HG21 VAL B 924 34.719 6.626 44.312 1.00 32.61 H new ATOM 0 HG22 VAL B 924 35.659 5.363 44.141 1.00 32.61 H new ATOM 0 HG23 VAL B 924 36.010 6.471 45.216 1.00 32.61 H new ATOM 665 N TRP B 925 39.136 8.322 42.159 1.00 46.92 N ATOM 666 CA TRP B 925 39.904 8.909 41.065 1.00 38.09 C ATOM 667 C TRP B 925 41.090 8.029 40.695 1.00 35.87 C ATOM 668 O TRP B 925 41.246 7.642 39.539 1.00 35.08 O ATOM 669 CB TRP B 925 40.396 10.310 41.435 1.00 46.03 C ATOM 670 CG TRP B 925 41.164 10.978 40.330 1.00 53.20 C ATOM 671 CD1 TRP B 925 40.655 11.778 39.351 1.00 52.88 C ATOM 672 CD2 TRP B 925 42.575 10.900 40.089 1.00 49.80 C ATOM 673 NE1 TRP B 925 41.659 12.205 38.516 1.00 45.14 N ATOM 674 CE2 TRP B 925 42.849 11.679 38.947 1.00 50.54 C ATOM 675 CE3 TRP B 925 43.635 10.249 40.728 1.00 47.73 C ATOM 676 CZ2 TRP B 925 44.135 11.825 38.430 1.00 54.66 C ATOM 677 CZ3 TRP B 925 44.911 10.393 40.213 1.00 55.42 C ATOM 678 CH2 TRP B 925 45.150 11.175 39.076 1.00 49.82 C ATOM 0 H TRP B 925 39.027 8.842 42.835 1.00 46.92 H new ATOM 0 HA TRP B 925 39.315 8.975 40.297 1.00 38.09 H new ATOM 0 HB2 TRP B 925 39.634 10.862 41.671 1.00 46.03 H new ATOM 0 HB3 TRP B 925 40.959 10.251 42.223 1.00 46.03 H new ATOM 0 HD1 TRP B 925 39.757 12.003 39.261 1.00 52.88 H new ATOM 0 HE1 TRP B 925 41.557 12.719 37.834 1.00 45.14 H new ATOM 0 HE3 TRP B 925 43.485 9.729 41.485 1.00 47.73 H new ATOM 0 HZ2 TRP B 925 44.296 12.344 37.675 1.00 54.66 H new ATOM 0 HZ3 TRP B 925 45.623 9.963 40.629 1.00 55.42 H new ATOM 0 HH2 TRP B 925 46.019 11.254 38.753 1.00 49.82 H new ATOM 679 N ALA B 926 41.912 7.710 41.690 1.00 39.73 N ATOM 680 CA ALA B 926 43.088 6.873 41.488 1.00 31.95 C ATOM 681 C ALA B 926 42.696 5.503 40.956 1.00 36.03 C ATOM 682 O ALA B 926 43.443 4.882 40.201 1.00 33.29 O ATOM 683 CB ALA B 926 43.866 6.732 42.784 1.00 33.14 C ATOM 0 H ALA B 926 41.803 7.973 42.501 1.00 39.73 H new ATOM 0 HA ALA B 926 43.655 7.303 40.829 1.00 31.95 H new ATOM 0 HB1 ALA B 926 44.645 6.173 42.635 1.00 33.14 H new ATOM 0 HB2 ALA B 926 44.150 7.608 43.088 1.00 33.14 H new ATOM 0 HB3 ALA B 926 43.300 6.324 43.458 1.00 33.14 H new ATOM 684 N PHE B 927 41.518 5.040 41.356 1.00 41.71 N ATOM 685 CA PHE B 927 40.991 3.775 40.871 1.00 37.09 C ATOM 686 C PHE B 927 40.684 3.853 39.380 1.00 35.06 C ATOM 687 O PHE B 927 41.158 3.029 38.599 1.00 39.97 O ATOM 688 CB PHE B 927 39.738 3.380 41.654 1.00 38.25 C ATOM 689 CG PHE B 927 38.995 2.223 41.060 1.00 35.03 C ATOM 690 CD1 PHE B 927 39.514 0.941 41.132 1.00 45.05 C ATOM 691 CD2 PHE B 927 37.777 2.414 40.432 1.00 36.66 C ATOM 692 CE1 PHE B 927 38.832 -0.129 40.584 1.00 28.42 C ATOM 693 CE2 PHE B 927 37.090 1.349 39.883 1.00 46.45 C ATOM 694 CZ PHE B 927 37.617 0.076 39.959 1.00 35.29 C ATOM 0 H PHE B 927 41.005 5.448 41.913 1.00 41.71 H new ATOM 0 HA PHE B 927 41.668 3.093 41.007 1.00 37.09 H new ATOM 0 HB2 PHE B 927 39.992 3.158 42.564 1.00 38.25 H new ATOM 0 HB3 PHE B 927 39.143 4.145 41.704 1.00 38.25 H new ATOM 0 HD1 PHE B 927 40.331 0.799 41.554 1.00 45.05 H new ATOM 0 HD2 PHE B 927 37.417 3.270 40.379 1.00 36.66 H new ATOM 0 HE1 PHE B 927 39.190 -0.986 40.636 1.00 28.42 H new ATOM 0 HE2 PHE B 927 36.273 1.490 39.462 1.00 46.45 H new ATOM 0 HZ PHE B 927 37.155 -0.642 39.590 1.00 35.29 H new ATOM 695 N ILE B 928 39.895 4.852 38.991 1.00 38.22 N ATOM 696 CA ILE B 928 39.533 5.048 37.590 1.00 35.60 C ATOM 697 C ILE B 928 40.763 5.400 36.754 1.00 34.63 C ATOM 698 O ILE B 928 40.899 4.960 35.612 1.00 43.15 O ATOM 699 CB ILE B 928 38.469 6.158 37.427 1.00 34.67 C ATOM 700 CG1 ILE B 928 37.251 5.871 38.306 1.00 37.92 C ATOM 701 CG2 ILE B 928 38.045 6.289 35.972 1.00 26.59 C ATOM 702 CD1 ILE B 928 36.485 4.626 37.911 1.00 25.64 C ATOM 0 H ILE B 928 39.556 5.432 39.528 1.00 38.22 H new ATOM 0 HA ILE B 928 39.158 4.211 37.274 1.00 35.60 H new ATOM 0 HB ILE B 928 38.865 6.997 37.710 1.00 34.67 H new ATOM 0 HG12 ILE B 928 37.542 5.782 39.227 1.00 37.92 H new ATOM 0 HG13 ILE B 928 36.652 6.633 38.271 1.00 37.92 H new ATOM 0 HG21 ILE B 928 37.378 6.989 35.891 1.00 26.59 H new ATOM 0 HG22 ILE B 928 38.817 6.513 35.429 1.00 26.59 H new ATOM 0 HG23 ILE B 928 37.669 5.448 35.667 1.00 26.59 H new ATOM 0 HD11 ILE B 928 35.730 4.507 38.508 1.00 25.64 H new ATOM 0 HD12 ILE B 928 36.165 4.718 37.000 1.00 25.64 H new ATOM 0 HD13 ILE B 928 37.069 3.854 37.971 1.00 25.64 H new ATOM 703 N HIS B 929 41.660 6.189 37.337 1.00 33.76 N ATOM 704 CA HIS B 929 42.876 6.616 36.657 1.00 37.20 C ATOM 705 C HIS B 929 43.781 5.435 36.315 1.00 38.10 C ATOM 706 O HIS B 929 44.484 5.452 35.306 1.00 33.86 O ATOM 707 CB HIS B 929 43.635 7.624 37.522 1.00 36.77 C ATOM 708 CG HIS B 929 44.855 8.188 36.866 1.00 32.89 C ATOM 709 ND1 HIS B 929 46.076 7.550 36.893 1.00 32.17 N ATOM 710 CD2 HIS B 929 45.045 9.335 36.173 1.00 39.50 C ATOM 711 CE1 HIS B 929 46.965 8.278 36.240 1.00 48.80 C ATOM 712 NE2 HIS B 929 46.365 9.366 35.793 1.00 44.91 N ATOM 0 H HIS B 929 41.580 6.491 38.138 1.00 33.76 H new ATOM 0 HA HIS B 929 42.613 7.037 35.823 1.00 37.20 H new ATOM 0 HB2 HIS B 929 43.038 8.352 37.754 1.00 36.77 H new ATOM 0 HB3 HIS B 929 43.894 7.194 38.352 1.00 36.77 H new ATOM 0 HD2 HIS B 929 44.402 9.981 35.989 1.00 39.50 H new ATOM 0 HE1 HIS B 929 47.861 8.061 36.116 1.00 48.80 H new ATOM 0 HE2 HIS B 929 46.740 9.992 35.338 1.00 44.91 H new ATOM 713 N SER B 930 43.756 4.412 37.162 1.00 36.96 N ATOM 714 CA SER B 930 44.586 3.231 36.960 1.00 35.47 C ATOM 715 C SER B 930 44.087 2.392 35.790 1.00 31.99 C ATOM 716 O SER B 930 44.852 1.643 35.184 1.00 40.60 O ATOM 717 CB SER B 930 44.623 2.380 38.228 1.00 37.53 C ATOM 718 OG SER B 930 43.351 1.814 38.494 1.00 39.29 O ATOM 0 H SER B 930 43.261 4.383 37.865 1.00 36.96 H new ATOM 0 HA SER B 930 45.483 3.537 36.754 1.00 35.47 H new ATOM 0 HB2 SER B 930 45.281 1.674 38.129 1.00 37.53 H new ATOM 0 HB3 SER B 930 44.902 2.925 38.980 1.00 37.53 H new ATOM 0 HG SER B 930 42.831 2.412 38.773 1.00 39.29 H new ATOM 719 N LEU B 931 42.801 2.519 35.481 1.00 40.51 N ATOM 720 CA LEU B 931 42.192 1.760 34.395 1.00 36.04 C ATOM 721 C LEU B 931 42.738 2.203 33.037 1.00 31.56 C ATOM 722 O LEU B 931 43.066 3.375 32.852 1.00 36.95 O ATOM 723 CB LEU B 931 40.667 1.908 34.430 1.00 37.53 C ATOM 724 CG LEU B 931 39.971 1.460 35.719 1.00 41.64 C ATOM 725 CD1 LEU B 931 38.460 1.476 35.549 1.00 28.76 C ATOM 726 CD2 LEU B 931 40.450 0.082 36.148 1.00 42.02 C ATOM 0 H LEU B 931 42.259 3.045 35.893 1.00 40.51 H new ATOM 0 HA LEU B 931 42.419 0.825 34.519 1.00 36.04 H new ATOM 0 HB2 LEU B 931 40.448 2.840 34.274 1.00 37.53 H new ATOM 0 HB3 LEU B 931 40.295 1.401 33.691 1.00 37.53 H new ATOM 0 HG LEU B 931 40.205 2.089 36.419 1.00 41.64 H new ATOM 0 HD11 LEU B 931 38.038 1.190 36.374 1.00 28.76 H new ATOM 0 HD12 LEU B 931 38.168 2.375 35.332 1.00 28.76 H new ATOM 0 HD13 LEU B 931 38.208 0.873 34.832 1.00 28.76 H new ATOM 0 HD21 LEU B 931 39.996 -0.179 36.964 1.00 42.02 H new ATOM 0 HD22 LEU B 931 40.253 -0.561 35.449 1.00 42.02 H new ATOM 0 HD23 LEU B 931 41.407 0.106 36.304 1.00 42.02 H new ATOM 727 N PRO B 932 42.840 1.259 32.085 1.00 40.52 N ATOM 728 CA PRO B 932 43.389 1.520 30.748 1.00 38.26 C ATOM 729 C PRO B 932 42.616 2.586 29.973 1.00 35.38 C ATOM 730 O PRO B 932 41.416 2.434 29.742 1.00 34.55 O ATOM 731 CB PRO B 932 43.271 0.161 30.049 1.00 32.84 C ATOM 732 CG PRO B 932 43.218 -0.832 31.149 1.00 38.47 C ATOM 733 CD PRO B 932 42.479 -0.158 32.260 1.00 35.68 C ATOM 0 HA PRO B 932 44.294 1.867 30.798 1.00 38.26 H new ATOM 0 HB2 PRO B 932 42.474 0.117 29.498 1.00 32.84 H new ATOM 0 HB3 PRO B 932 44.029 -0.001 29.466 1.00 32.84 H new ATOM 0 HG2 PRO B 932 42.763 -1.641 30.867 1.00 38.47 H new ATOM 0 HG3 PRO B 932 44.110 -1.091 31.429 1.00 38.47 H new ATOM 0 HD2 PRO B 932 41.521 -0.296 32.190 1.00 35.68 H new ATOM 0 HD3 PRO B 932 42.751 -0.494 33.128 1.00 35.68 H new ATOM 734 N GLY B 933 43.306 3.652 29.581 1.00 33.97 N ATOM 735 CA GLY B 933 42.710 4.707 28.781 1.00 25.68 C ATOM 736 C GLY B 933 41.674 5.540 29.511 1.00 35.60 C ATOM 737 O GLY B 933 40.988 6.358 28.898 1.00 40.87 O ATOM 0 H GLY B 933 44.134 3.781 29.773 1.00 33.97 H new ATOM 0 HA2 GLY B 933 43.414 5.293 28.463 1.00 25.68 H new ATOM 0 HA3 GLY B 933 42.296 4.310 27.999 1.00 25.68 H new ATOM 738 N CYS B 934 41.562 5.336 30.820 1.00 33.99 N ATOM 739 CA CYS B 934 40.580 6.050 31.628 1.00 39.33 C ATOM 740 C CYS B 934 41.237 7.108 32.507 1.00 36.30 C ATOM 741 O CYS B 934 40.656 7.546 33.499 1.00 40.30 O ATOM 742 CB CYS B 934 39.791 5.071 32.500 1.00 30.62 C ATOM 743 SG CYS B 934 38.908 3.782 31.600 1.00 38.07 S ATOM 0 H CYS B 934 42.050 4.783 31.262 1.00 33.99 H new ATOM 0 HA CYS B 934 39.974 6.498 31.018 1.00 39.33 H new ATOM 0 HB2 CYS B 934 40.403 4.649 33.123 1.00 30.62 H new ATOM 0 HB3 CYS B 934 39.151 5.574 33.028 1.00 30.62 H new ATOM 0 HG CYS B 934 39.672 3.200 30.880 1.00 38.07 H new ATOM 744 N GLN B 935 42.446 7.521 32.140 1.00 38.68 N ATOM 745 CA GLN B 935 43.195 8.477 32.948 1.00 47.59 C ATOM 746 C GLN B 935 42.579 9.875 32.907 1.00 54.45 C ATOM 747 O GLN B 935 42.597 10.595 33.906 1.00 59.62 O ATOM 748 CB GLN B 935 44.654 8.533 32.493 1.00 46.29 C ATOM 749 CG GLN B 935 45.395 7.215 32.659 1.00 57.13 C ATOM 750 CD GLN B 935 46.902 7.384 32.625 1.00 81.55 C ATOM 751 OE1 GLN B 935 47.412 8.501 32.525 1.00 81.95 O ATOM 752 NE2 GLN B 935 47.624 6.272 32.714 1.00 76.14 N ATOM 0 H GLN B 935 42.850 7.260 31.427 1.00 38.68 H new ATOM 0 HA GLN B 935 43.156 8.167 33.866 1.00 47.59 H new ATOM 0 HB2 GLN B 935 44.684 8.797 31.560 1.00 46.29 H new ATOM 0 HB3 GLN B 935 45.116 9.221 32.997 1.00 46.29 H new ATOM 0 HG2 GLN B 935 45.138 6.807 33.501 1.00 57.13 H new ATOM 0 HG3 GLN B 935 45.125 6.605 31.954 1.00 57.13 H new ATOM 0 HE21 GLN B 935 47.232 5.509 32.783 1.00 76.14 H new ATOM 0 HE22 GLN B 935 48.483 6.315 32.703 1.00 76.14 H new ATOM 753 N ASP B 936 42.031 10.251 31.756 1.00 50.72 N ATOM 754 CA ASP B 936 41.411 11.563 31.600 1.00 49.56 C ATOM 755 C ASP B 936 40.011 11.606 32.202 1.00 46.81 C ATOM 756 O ASP B 936 39.634 12.582 32.848 1.00 46.96 O ATOM 757 CB ASP B 936 41.347 11.956 30.121 1.00 67.21 C ATOM 758 CG ASP B 936 42.697 12.373 29.566 1.00 71.67 C ATOM 759 OD1 ASP B 936 43.568 12.786 30.360 1.00 65.07 O ATOM 760 OD2 ASP B 936 42.880 12.295 28.332 1.00 89.64 O1+ ATOM 0 H ASP B 936 42.008 9.759 31.051 1.00 50.72 H new ATOM 0 HA ASP B 936 41.965 12.198 32.080 1.00 49.56 H new ATOM 0 HB2 ASP B 936 41.007 11.208 29.606 1.00 67.21 H new ATOM 0 HB3 ASP B 936 40.717 12.685 30.011 1.00 67.21 H new ATOM 761 N ILE B 937 39.244 10.542 31.988 1.00 42.44 N ATOM 762 CA ILE B 937 37.858 10.500 32.437 1.00 39.31 C ATOM 763 C ILE B 937 37.771 10.332 33.955 1.00 45.79 C ATOM 764 O ILE B 937 36.715 10.545 34.554 1.00 46.03 O ATOM 765 CB ILE B 937 37.077 9.363 31.740 1.00 39.11 C ATOM 766 CG1 ILE B 937 35.571 9.631 31.794 1.00 51.61 C ATOM 767 CG2 ILE B 937 37.433 8.009 32.344 1.00 33.07 C ATOM 768 CD1 ILE B 937 35.169 10.964 31.193 1.00 45.84 C ATOM 0 H ILE B 937 39.509 9.831 31.583 1.00 42.44 H new ATOM 0 HA ILE B 937 37.454 11.348 32.195 1.00 39.31 H new ATOM 0 HB ILE B 937 37.337 9.339 30.806 1.00 39.11 H new ATOM 0 HG12 ILE B 937 35.107 8.920 31.325 1.00 51.61 H new ATOM 0 HG13 ILE B 937 35.278 9.600 32.718 1.00 51.61 H new ATOM 0 HG21 ILE B 937 36.932 7.311 31.893 1.00 33.07 H new ATOM 0 HG22 ILE B 937 38.383 7.846 32.236 1.00 33.07 H new ATOM 0 HG23 ILE B 937 37.210 8.007 33.288 1.00 33.07 H new ATOM 0 HD11 ILE B 937 34.207 11.072 31.258 1.00 45.84 H new ATOM 0 HD12 ILE B 937 35.608 11.682 31.675 1.00 45.84 H new ATOM 0 HD13 ILE B 937 35.434 10.992 30.260 1.00 45.84 H new ATOM 769 N ALA B 938 38.888 9.960 34.573 1.00 46.43 N ATOM 770 CA ALA B 938 38.952 9.828 36.023 1.00 38.11 C ATOM 771 C ALA B 938 38.684 11.170 36.690 1.00 38.40 C ATOM 772 O ALA B 938 38.137 11.229 37.790 1.00 44.14 O ATOM 773 CB ALA B 938 40.304 9.280 36.449 1.00 35.19 C ATOM 0 H ALA B 938 39.624 9.779 34.167 1.00 46.43 H new ATOM 0 HA ALA B 938 38.267 9.202 36.306 1.00 38.11 H new ATOM 0 HB1 ALA B 938 40.330 9.198 37.415 1.00 35.19 H new ATOM 0 HB2 ALA B 938 40.441 8.408 36.047 1.00 35.19 H new ATOM 0 HB3 ALA B 938 41.005 9.884 36.157 1.00 35.19 H new ATOM 774 N ASP B 939 39.069 12.244 36.010 1.00 42.68 N ATOM 775 CA ASP B 939 38.855 13.591 36.520 1.00 45.89 C ATOM 776 C ASP B 939 37.372 13.935 36.565 1.00 37.66 C ATOM 777 O ASP B 939 36.939 14.735 37.392 1.00 46.66 O ATOM 778 CB ASP B 939 39.604 14.617 35.667 1.00 44.92 C ATOM 779 CG ASP B 939 41.109 14.438 35.725 1.00 54.14 C ATOM 780 OD1 ASP B 939 41.612 13.937 36.753 1.00 56.57 O ATOM 781 OD2 ASP B 939 41.791 14.801 34.744 1.00 62.34 O1+ ATOM 0 H ASP B 939 39.459 12.212 35.244 1.00 42.68 H new ATOM 0 HA ASP B 939 39.203 13.621 37.425 1.00 45.89 H new ATOM 0 HB2 ASP B 939 39.308 14.544 34.746 1.00 44.92 H new ATOM 0 HB3 ASP B 939 39.376 15.511 35.968 1.00 44.92 H new ATOM 782 N GLU B 940 36.594 13.328 35.675 1.00 31.75 N ATOM 783 CA GLU B 940 35.158 13.581 35.636 1.00 33.23 C ATOM 784 C GLU B 940 34.465 12.987 36.858 1.00 39.84 C ATOM 785 O GLU B 940 33.547 13.591 37.411 1.00 43.57 O ATOM 786 CB GLU B 940 34.544 13.021 34.351 1.00 41.13 C ATOM 787 CG GLU B 940 33.039 13.234 34.227 1.00 45.29 C ATOM 788 CD GLU B 940 32.646 14.697 34.080 1.00 50.03 C ATOM 789 OE1 GLU B 940 33.542 15.557 33.934 1.00 47.19 O ATOM 790 OE2 GLU B 940 31.431 14.988 34.107 1.00 55.19 O1+ ATOM 0 H GLU B 940 36.877 12.768 35.087 1.00 31.75 H new ATOM 0 HA GLU B 940 35.025 14.542 35.648 1.00 33.23 H new ATOM 0 HB2 GLU B 940 34.982 13.433 33.590 1.00 41.13 H new ATOM 0 HB3 GLU B 940 34.730 12.070 34.304 1.00 41.13 H new ATOM 0 HG2 GLU B 940 32.711 12.739 33.460 1.00 45.29 H new ATOM 0 HG3 GLU B 940 32.601 12.866 35.010 1.00 45.29 H new ATOM 791 N PHE B 941 34.912 11.807 37.276 1.00 38.58 N ATOM 792 CA PHE B 941 34.407 11.182 38.494 1.00 36.04 C ATOM 793 C PHE B 941 34.658 12.080 39.698 1.00 36.73 C ATOM 794 O PHE B 941 33.767 12.300 40.516 1.00 37.10 O ATOM 795 CB PHE B 941 35.061 9.818 38.716 1.00 35.85 C ATOM 796 CG PHE B 941 34.467 8.716 37.889 1.00 36.36 C ATOM 797 CD1 PHE B 941 34.699 8.652 36.526 1.00 30.81 C ATOM 798 CD2 PHE B 941 33.686 7.736 38.478 1.00 31.48 C ATOM 799 CE1 PHE B 941 34.156 7.636 35.764 1.00 34.16 C ATOM 800 CE2 PHE B 941 33.142 6.718 37.723 1.00 27.55 C ATOM 801 CZ PHE B 941 33.376 6.667 36.365 1.00 34.26 C ATOM 0 H PHE B 941 35.512 11.349 36.865 1.00 38.58 H new ATOM 0 HA PHE B 941 33.451 11.054 38.391 1.00 36.04 H new ATOM 0 HB2 PHE B 941 36.007 9.887 38.515 1.00 35.85 H new ATOM 0 HB3 PHE B 941 34.986 9.582 39.654 1.00 35.85 H new ATOM 0 HD1 PHE B 941 35.227 9.301 36.119 1.00 30.81 H new ATOM 0 HD2 PHE B 941 33.526 7.765 39.394 1.00 31.48 H new ATOM 0 HE1 PHE B 941 34.315 7.604 34.848 1.00 34.16 H new ATOM 0 HE2 PHE B 941 32.618 6.066 38.130 1.00 27.55 H new ATOM 0 HZ PHE B 941 33.009 5.981 35.855 1.00 34.26 H new ATOM 802 N ARG B 942 35.879 12.595 39.798 1.00 36.07 N ATOM 803 CA ARG B 942 36.234 13.520 40.866 1.00 44.20 C ATOM 804 C ARG B 942 35.431 14.812 40.746 1.00 51.94 C ATOM 805 O ARG B 942 34.966 15.360 41.747 1.00 44.57 O ATOM 806 CB ARG B 942 37.733 13.823 40.844 1.00 44.77 C ATOM 807 CG ARG B 942 38.149 14.937 41.792 1.00 44.76 C ATOM 808 CD ARG B 942 39.662 15.118 41.839 1.00 69.85 C ATOM 809 NE ARG B 942 40.242 15.308 40.511 1.00 84.44 N ATOM 810 CZ ARG B 942 40.002 16.358 39.731 1.00 68.89 C ATOM 811 NH1 ARG B 942 39.180 17.318 40.137 1.00 72.57 N1+ ATOM 812 NH2 ARG B 942 40.579 16.443 38.540 1.00 71.93 N ATOM 0 H ARG B 942 36.520 12.419 39.253 1.00 36.07 H new ATOM 0 HA ARG B 942 36.018 13.100 41.713 1.00 44.20 H new ATOM 0 HB2 ARG B 942 38.221 13.016 41.073 1.00 44.77 H new ATOM 0 HB3 ARG B 942 37.992 14.065 39.941 1.00 44.77 H new ATOM 0 HG2 ARG B 942 37.734 15.768 41.514 1.00 44.76 H new ATOM 0 HG3 ARG B 942 37.821 14.741 42.683 1.00 44.76 H new ATOM 0 HD2 ARG B 942 39.877 15.883 42.395 1.00 69.85 H new ATOM 0 HD3 ARG B 942 40.065 14.341 42.257 1.00 69.85 H new ATOM 0 HE ARG B 942 40.774 14.701 40.214 1.00 84.44 H new ATOM 0 HH11 ARG B 942 38.801 17.262 40.907 1.00 72.57 H new ATOM 0 HH12 ARG B 942 39.027 17.996 39.630 1.00 72.57 H new ATOM 0 HH21 ARG B 942 41.108 15.820 38.273 1.00 71.93 H new ATOM 0 HH22 ARG B 942 40.424 17.122 38.035 1.00 71.93 H new ATOM 813 N ALA B 943 35.270 15.289 39.514 1.00 43.93 N ATOM 814 CA ALA B 943 34.481 16.487 39.251 1.00 42.41 C ATOM 815 C ALA B 943 33.037 16.281 39.684 1.00 34.07 C ATOM 816 O ALA B 943 32.393 17.201 40.186 1.00 40.80 O ATOM 817 CB ALA B 943 34.545 16.856 37.777 1.00 41.85 C ATOM 0 H ALA B 943 35.613 14.929 38.812 1.00 43.93 H new ATOM 0 HA ALA B 943 34.856 17.218 39.767 1.00 42.41 H new ATOM 0 HB1 ALA B 943 34.016 17.654 37.620 1.00 41.85 H new ATOM 0 HB2 ALA B 943 35.466 17.025 37.525 1.00 41.85 H new ATOM 0 HB3 ALA B 943 34.194 16.125 37.245 1.00 41.85 H new ATOM 818 N GLN B 944 32.534 15.066 39.491 1.00 33.38 N ATOM 819 CA GLN B 944 31.177 14.729 39.900 1.00 48.57 C ATOM 820 C GLN B 944 31.147 14.244 41.346 1.00 49.14 C ATOM 821 O GLN B 944 30.091 13.873 41.863 1.00 47.70 O ATOM 822 CB GLN B 944 30.582 13.668 38.972 1.00 32.66 C ATOM 823 CG GLN B 944 30.390 14.130 37.539 1.00 37.78 C ATOM 824 CD GLN B 944 29.407 15.278 37.419 1.00 36.97 C ATOM 825 OE1 GLN B 944 28.532 15.452 38.266 1.00 39.11 O ATOM 826 NE2 GLN B 944 29.548 16.070 36.362 1.00 38.87 N ATOM 0 H GLN B 944 32.966 14.420 39.123 1.00 33.38 H new ATOM 0 HA GLN B 944 30.638 15.533 39.838 1.00 48.57 H new ATOM 0 HB2 GLN B 944 31.160 12.889 38.975 1.00 32.66 H new ATOM 0 HB3 GLN B 944 29.725 13.386 39.328 1.00 32.66 H new ATOM 0 HG2 GLN B 944 31.246 14.403 37.174 1.00 37.78 H new ATOM 0 HG3 GLN B 944 30.078 13.385 37.002 1.00 37.78 H new ATOM 0 HE21 GLN B 944 30.172 15.917 35.790 1.00 38.87 H new ATOM 0 HE22 GLN B 944 29.015 16.736 36.249 1.00 38.87 H new ATOM 827 N GLU B 945 32.316 14.257 41.983 1.00 47.67 N ATOM 828 CA GLU B 945 32.466 13.850 43.378 1.00 47.59 C ATOM 829 C GLU B 945 31.883 12.464 43.631 1.00 50.57 C ATOM 830 O GLU B 945 31.069 12.272 44.534 1.00 42.91 O ATOM 831 CB GLU B 945 31.817 14.878 44.308 1.00 60.60 C ATOM 832 CG GLU B 945 32.603 16.178 44.425 1.00 57.40 C ATOM 833 CD GLU B 945 31.812 17.283 45.097 1.00 51.66 C ATOM 834 OE1 GLU B 945 32.438 18.198 45.673 1.00 49.31 O ATOM 835 OE2 GLU B 945 30.565 17.241 45.045 1.00 53.14 O1+ ATOM 0 H GLU B 945 33.052 14.505 41.613 1.00 47.67 H new ATOM 0 HA GLU B 945 33.416 13.807 43.568 1.00 47.59 H new ATOM 0 HB2 GLU B 945 30.924 15.077 43.985 1.00 60.60 H new ATOM 0 HB3 GLU B 945 31.719 14.488 45.191 1.00 60.60 H new ATOM 0 HG2 GLU B 945 33.416 16.016 44.928 1.00 57.40 H new ATOM 0 HG3 GLU B 945 32.871 16.470 43.540 1.00 57.40 H new ATOM 836 N ILE B 946 32.306 11.504 42.815 1.00 48.26 N ATOM 837 CA ILE B 946 31.909 10.115 42.989 1.00 35.26 C ATOM 838 C ILE B 946 32.823 9.435 43.996 1.00 34.87 C ATOM 839 O ILE B 946 33.950 9.075 43.663 1.00 39.89 O ATOM 840 CB ILE B 946 31.965 9.328 41.663 1.00 31.18 C ATOM 841 CG1 ILE B 946 31.409 10.159 40.505 1.00 33.33 C ATOM 842 CG2 ILE B 946 31.226 8.002 41.798 1.00 30.61 C ATOM 843 CD1 ILE B 946 29.914 10.300 40.513 1.00 35.64 C ATOM 0 H ILE B 946 32.830 11.641 42.147 1.00 48.26 H new ATOM 0 HA ILE B 946 30.993 10.118 43.308 1.00 35.26 H new ATOM 0 HB ILE B 946 32.894 9.136 41.462 1.00 31.18 H new ATOM 0 HG12 ILE B 946 31.808 11.043 40.533 1.00 33.33 H new ATOM 0 HG13 ILE B 946 31.681 9.752 39.668 1.00 33.33 H new ATOM 0 HG21 ILE B 946 31.270 7.520 40.958 1.00 30.61 H new ATOM 0 HG22 ILE B 946 31.639 7.471 42.497 1.00 30.61 H new ATOM 0 HG23 ILE B 946 30.298 8.170 42.025 1.00 30.61 H new ATOM 0 HD11 ILE B 946 29.635 10.836 39.754 1.00 35.64 H new ATOM 0 HD12 ILE B 946 29.506 9.422 40.455 1.00 35.64 H new ATOM 0 HD13 ILE B 946 29.634 10.733 41.335 1.00 35.64 H new ATOM 844 N ASP B 947 32.350 9.272 45.226 1.00 36.62 N ATOM 845 CA ASP B 947 33.104 8.513 46.216 1.00 33.21 C ATOM 846 C ASP B 947 32.799 7.030 46.058 1.00 35.16 C ATOM 847 O ASP B 947 32.087 6.635 45.135 1.00 39.22 O ATOM 848 CB ASP B 947 32.788 8.984 47.636 1.00 34.85 C ATOM 849 CG ASP B 947 31.300 9.076 47.906 1.00 40.86 C ATOM 850 OD1 ASP B 947 30.508 8.503 47.129 1.00 41.25 O ATOM 851 OD2 ASP B 947 30.923 9.722 48.905 1.00 54.79 O1+ ATOM 0 H ASP B 947 31.601 9.589 45.506 1.00 36.62 H new ATOM 0 HA ASP B 947 34.051 8.662 46.067 1.00 33.21 H new ATOM 0 HB2 ASP B 947 33.191 8.373 48.272 1.00 34.85 H new ATOM 0 HB3 ASP B 947 33.193 9.853 47.782 1.00 34.85 H new ATOM 852 N GLY B 948 33.339 6.214 46.956 1.00 35.99 N ATOM 853 CA GLY B 948 33.148 4.778 46.885 1.00 37.77 C ATOM 854 C GLY B 948 31.692 4.359 46.944 1.00 48.93 C ATOM 855 O GLY B 948 31.292 3.378 46.314 1.00 42.16 O ATOM 0 H GLY B 948 33.822 6.477 47.617 1.00 35.99 H new ATOM 0 HA2 GLY B 948 33.539 4.447 46.062 1.00 37.77 H new ATOM 0 HA3 GLY B 948 33.628 4.358 47.616 1.00 37.77 H new ATOM 856 N GLN B 949 30.894 5.105 47.701 1.00 43.54 N ATOM 857 CA GLN B 949 29.475 4.806 47.832 1.00 42.16 C ATOM 858 C GLN B 949 28.742 5.057 46.519 1.00 33.10 C ATOM 859 O GLN B 949 28.007 4.198 46.035 1.00 34.64 O ATOM 860 CB GLN B 949 28.856 5.636 48.959 1.00 52.93 C ATOM 861 CG GLN B 949 27.410 5.282 49.269 1.00 45.97 C ATOM 862 CD GLN B 949 26.904 5.954 50.530 1.00 53.99 C ATOM 863 OE1 GLN B 949 27.597 6.773 51.133 1.00 52.04 O ATOM 864 NE2 GLN B 949 25.690 5.605 50.939 1.00 59.66 N ATOM 0 H GLN B 949 31.157 5.791 48.148 1.00 43.54 H new ATOM 0 HA GLN B 949 29.383 3.866 48.053 1.00 42.16 H new ATOM 0 HB2 GLN B 949 29.387 5.519 49.762 1.00 52.93 H new ATOM 0 HB3 GLN B 949 28.905 6.575 48.720 1.00 52.93 H new ATOM 0 HG2 GLN B 949 26.849 5.541 48.521 1.00 45.97 H new ATOM 0 HG3 GLN B 949 27.329 4.320 49.364 1.00 45.97 H new ATOM 0 HE21 GLN B 949 25.235 5.029 50.492 1.00 59.66 H new ATOM 0 HE22 GLN B 949 25.359 5.955 51.651 1.00 59.66 H new ATOM 865 N ALA B 950 28.954 6.236 45.944 1.00 36.36 N ATOM 866 CA ALA B 950 28.320 6.601 44.682 1.00 32.38 C ATOM 867 C ALA B 950 28.843 5.743 43.535 1.00 33.06 C ATOM 868 O ALA B 950 28.152 5.536 42.540 1.00 42.84 O ATOM 869 CB ALA B 950 28.539 8.075 44.385 1.00 29.80 C ATOM 0 H ALA B 950 29.466 6.844 46.272 1.00 36.36 H new ATOM 0 HA ALA B 950 27.368 6.439 44.767 1.00 32.38 H new ATOM 0 HB1 ALA B 950 28.112 8.303 43.544 1.00 29.80 H new ATOM 0 HB2 ALA B 950 28.154 8.609 45.097 1.00 29.80 H new ATOM 0 HB3 ALA B 950 29.490 8.255 44.324 1.00 29.80 H new ATOM 870 N LEU B 951 30.068 5.249 43.683 1.00 39.75 N ATOM 871 CA LEU B 951 30.680 4.385 42.681 1.00 34.13 C ATOM 872 C LEU B 951 29.941 3.055 42.577 1.00 32.44 C ATOM 873 O LEU B 951 29.733 2.534 41.481 1.00 40.62 O ATOM 874 CB LEU B 951 32.155 4.142 43.013 1.00 40.34 C ATOM 875 CG LEU B 951 32.962 3.292 42.029 1.00 43.03 C ATOM 876 CD1 LEU B 951 33.168 4.037 40.720 1.00 42.93 C ATOM 877 CD2 LEU B 951 34.297 2.881 42.634 1.00 28.92 C ATOM 0 H LEU B 951 30.567 5.405 44.366 1.00 39.75 H new ATOM 0 HA LEU B 951 30.620 4.834 41.823 1.00 34.13 H new ATOM 0 HB2 LEU B 951 32.591 5.005 43.093 1.00 40.34 H new ATOM 0 HB3 LEU B 951 32.201 3.719 43.884 1.00 40.34 H new ATOM 0 HG LEU B 951 32.457 2.485 41.842 1.00 43.03 H new ATOM 0 HD11 LEU B 951 33.680 3.484 40.110 1.00 42.93 H new ATOM 0 HD12 LEU B 951 32.306 4.241 40.324 1.00 42.93 H new ATOM 0 HD13 LEU B 951 33.649 4.862 40.889 1.00 42.93 H new ATOM 0 HD21 LEU B 951 34.791 2.344 41.994 1.00 28.92 H new ATOM 0 HD22 LEU B 951 34.810 3.674 42.855 1.00 28.92 H new ATOM 0 HD23 LEU B 951 34.142 2.363 43.439 1.00 28.92 H new ATOM 878 N LEU B 952 29.544 2.514 43.724 1.00 37.65 N ATOM 879 CA LEU B 952 28.870 1.221 43.769 1.00 35.52 C ATOM 880 C LEU B 952 27.386 1.340 43.443 1.00 33.34 C ATOM 881 O LEU B 952 26.702 0.333 43.264 1.00 38.90 O ATOM 882 CB LEU B 952 29.050 0.573 45.143 1.00 36.91 C ATOM 883 CG LEU B 952 30.485 0.228 45.544 1.00 44.55 C ATOM 884 CD1 LEU B 952 30.518 -0.480 46.892 1.00 30.71 C ATOM 885 CD2 LEU B 952 31.148 -0.621 44.471 1.00 32.34 C ATOM 0 H LEU B 952 29.656 2.883 44.493 1.00 37.65 H new ATOM 0 HA LEU B 952 29.279 0.660 43.091 1.00 35.52 H new ATOM 0 HB2 LEU B 952 28.682 1.170 45.812 1.00 36.91 H new ATOM 0 HB3 LEU B 952 28.522 -0.241 45.168 1.00 36.91 H new ATOM 0 HG LEU B 952 30.984 1.056 45.630 1.00 44.55 H new ATOM 0 HD11 LEU B 952 31.436 -0.689 47.126 1.00 30.71 H new ATOM 0 HD12 LEU B 952 30.135 0.098 47.571 1.00 30.71 H new ATOM 0 HD13 LEU B 952 30.004 -1.301 46.839 1.00 30.71 H new ATOM 0 HD21 LEU B 952 32.056 -0.831 44.740 1.00 32.34 H new ATOM 0 HD22 LEU B 952 30.647 -1.444 44.354 1.00 32.34 H new ATOM 0 HD23 LEU B 952 31.164 -0.131 43.634 1.00 32.34 H new ATOM 886 N LEU B 953 26.892 2.571 43.371 1.00 38.87 N ATOM 887 CA LEU B 953 25.493 2.816 43.038 1.00 33.05 C ATOM 888 C LEU B 953 25.307 3.009 41.538 1.00 33.72 C ATOM 889 O LEU B 953 24.186 2.966 41.031 1.00 33.68 O ATOM 890 CB LEU B 953 24.965 4.038 43.792 1.00 30.37 C ATOM 891 CG LEU B 953 24.789 3.887 45.304 1.00 32.71 C ATOM 892 CD1 LEU B 953 24.348 5.202 45.925 1.00 40.87 C ATOM 893 CD2 LEU B 953 23.791 2.785 45.620 1.00 32.38 C ATOM 0 H LEU B 953 27.354 3.283 43.512 1.00 38.87 H new ATOM 0 HA LEU B 953 24.986 2.035 43.309 1.00 33.05 H new ATOM 0 HB2 LEU B 953 25.570 4.779 43.630 1.00 30.37 H new ATOM 0 HB3 LEU B 953 24.108 4.283 43.410 1.00 30.37 H new ATOM 0 HG LEU B 953 25.646 3.641 45.687 1.00 32.71 H new ATOM 0 HD11 LEU B 953 24.241 5.088 46.882 1.00 40.87 H new ATOM 0 HD12 LEU B 953 25.018 5.882 45.753 1.00 40.87 H new ATOM 0 HD13 LEU B 953 23.503 5.476 45.536 1.00 40.87 H new ATOM 0 HD21 LEU B 953 23.692 2.704 46.582 1.00 32.38 H new ATOM 0 HD22 LEU B 953 22.932 3.003 45.224 1.00 32.38 H new ATOM 0 HD23 LEU B 953 24.111 1.945 45.256 1.00 32.38 H new ATOM 894 N LEU B 954 26.415 3.223 40.837 1.00 36.24 N ATOM 895 CA LEU B 954 26.392 3.434 39.394 1.00 33.39 C ATOM 896 C LEU B 954 25.877 2.219 38.633 1.00 40.96 C ATOM 897 O LEU B 954 26.274 1.085 38.905 1.00 37.97 O ATOM 898 CB LEU B 954 27.790 3.792 38.888 1.00 40.26 C ATOM 899 CG LEU B 954 28.251 5.234 39.092 1.00 42.26 C ATOM 900 CD1 LEU B 954 29.745 5.355 38.846 1.00 32.68 C ATOM 901 CD2 LEU B 954 27.483 6.161 38.167 1.00 34.34 C ATOM 0 H LEU B 954 27.201 3.250 41.184 1.00 36.24 H new ATOM 0 HA LEU B 954 25.779 4.167 39.229 1.00 33.39 H new ATOM 0 HB2 LEU B 954 28.428 3.206 39.325 1.00 40.26 H new ATOM 0 HB3 LEU B 954 27.827 3.595 37.939 1.00 40.26 H new ATOM 0 HG LEU B 954 28.073 5.491 40.010 1.00 42.26 H new ATOM 0 HD11 LEU B 954 30.022 6.275 38.979 1.00 32.68 H new ATOM 0 HD12 LEU B 954 30.223 4.781 39.465 1.00 32.68 H new ATOM 0 HD13 LEU B 954 29.946 5.086 37.936 1.00 32.68 H new ATOM 0 HD21 LEU B 954 27.781 7.074 38.303 1.00 34.34 H new ATOM 0 HD22 LEU B 954 27.642 5.903 37.245 1.00 34.34 H new ATOM 0 HD23 LEU B 954 26.535 6.099 38.361 1.00 34.34 H new ATOM 902 N LYS B 955 24.988 2.468 37.679 1.00 45.89 N ATOM 903 CA LYS B 955 24.527 1.428 36.774 1.00 45.36 C ATOM 904 C LYS B 955 25.206 1.584 35.419 1.00 41.39 C ATOM 905 O LYS B 955 25.877 2.583 35.161 1.00 38.09 O ATOM 906 CB LYS B 955 23.008 1.471 36.620 1.00 43.27 C ATOM 907 CG LYS B 955 22.286 0.508 37.549 1.00 63.63 C ATOM 908 CD LYS B 955 22.819 -0.908 37.368 1.00 64.68 C ATOM 909 CE LYS B 955 22.165 -1.888 38.332 1.00 80.26 C ATOM 910 NZ LYS B 955 22.715 -3.269 38.200 1.00 51.20 N1+ ATOM 0 H LYS B 955 24.637 3.241 37.540 1.00 45.89 H new ATOM 0 HA LYS B 955 24.763 0.565 37.149 1.00 45.36 H new ATOM 0 HB2 LYS B 955 22.696 2.373 36.793 1.00 43.27 H new ATOM 0 HB3 LYS B 955 22.775 1.262 35.702 1.00 43.27 H new ATOM 0 HG2 LYS B 955 22.404 0.789 38.470 1.00 63.63 H new ATOM 0 HG3 LYS B 955 21.333 0.527 37.367 1.00 63.63 H new ATOM 0 HD2 LYS B 955 22.662 -1.198 36.456 1.00 64.68 H new ATOM 0 HD3 LYS B 955 23.779 -0.912 37.505 1.00 64.68 H new ATOM 0 HE2 LYS B 955 22.293 -1.577 39.242 1.00 80.26 H new ATOM 0 HE3 LYS B 955 21.209 -1.907 38.171 1.00 80.26 H new ATOM 0 HZ1 LYS B 955 22.307 -3.808 38.779 1.00 51.20 H new ATOM 0 HZ2 LYS B 955 22.578 -3.565 37.372 1.00 51.20 H new ATOM 0 HZ3 LYS B 955 23.589 -3.258 38.370 1.00 51.20 H new ATOM 911 N GLU B 956 25.029 0.588 34.560 1.00 45.79 N ATOM 912 CA GLU B 956 25.661 0.580 33.247 1.00 33.39 C ATOM 913 C GLU B 956 25.186 1.755 32.397 1.00 46.98 C ATOM 914 O GLU B 956 25.962 2.344 31.644 1.00 53.78 O ATOM 915 CB GLU B 956 25.375 -0.745 32.538 1.00 35.48 C ATOM 916 CG GLU B 956 26.155 -0.957 31.253 1.00 52.74 C ATOM 917 CD GLU B 956 26.143 -2.407 30.808 1.00 55.13 C ATOM 918 OE1 GLU B 956 26.037 -3.296 31.679 1.00 63.47 O ATOM 919 OE2 GLU B 956 26.236 -2.659 29.589 1.00 56.56 O1+ ATOM 0 H GLU B 956 24.540 -0.101 34.721 1.00 45.79 H new ATOM 0 HA GLU B 956 26.619 0.673 33.370 1.00 33.39 H new ATOM 0 HB2 GLU B 956 25.574 -1.473 33.147 1.00 35.48 H new ATOM 0 HB3 GLU B 956 24.427 -0.793 32.338 1.00 35.48 H new ATOM 0 HG2 GLU B 956 25.778 -0.402 30.552 1.00 52.74 H new ATOM 0 HG3 GLU B 956 27.072 -0.667 31.382 1.00 52.74 H new ATOM 920 N ASP B 957 23.909 2.097 32.539 1.00 48.93 N ATOM 921 CA ASP B 957 23.312 3.203 31.798 1.00 42.68 C ATOM 922 C ASP B 957 23.791 4.554 32.325 1.00 39.27 C ATOM 923 O ASP B 957 23.813 5.543 31.595 1.00 46.37 O ATOM 924 CB ASP B 957 21.785 3.126 31.868 1.00 63.19 C ATOM 925 CG ASP B 957 21.105 4.207 31.048 1.00 85.02 C ATOM 926 OD1 ASP B 957 21.678 4.627 30.020 1.00 82.87 O ATOM 927 OD2 ASP B 957 19.994 4.636 31.428 1.00 76.46 O1+ ATOM 0 H ASP B 957 23.364 1.694 33.068 1.00 48.93 H new ATOM 0 HA ASP B 957 23.595 3.125 30.873 1.00 42.68 H new ATOM 0 HB2 ASP B 957 21.494 2.256 31.553 1.00 63.19 H new ATOM 0 HB3 ASP B 957 21.503 3.202 32.793 1.00 63.19 H new ATOM 928 N HIS B 958 24.174 4.585 33.597 1.00 35.73 N ATOM 929 CA HIS B 958 24.606 5.821 34.241 1.00 48.54 C ATOM 930 C HIS B 958 25.908 6.357 33.661 1.00 53.11 C ATOM 931 O HIS B 958 26.096 7.568 33.559 1.00 53.46 O ATOM 932 CB HIS B 958 24.773 5.607 35.746 1.00 39.26 C ATOM 933 CG HIS B 958 23.484 5.586 36.501 1.00 24.75 C ATOM 934 ND1 HIS B 958 23.324 4.894 37.682 1.00 36.53 N ATOM 935 CD2 HIS B 958 22.292 6.179 36.249 1.00 44.51 C ATOM 936 CE1 HIS B 958 22.089 5.056 38.122 1.00 46.54 C ATOM 937 NE2 HIS B 958 21.443 5.832 37.269 1.00 54.50 N ATOM 0 H HIS B 958 24.191 3.894 34.109 1.00 35.73 H new ATOM 0 HA HIS B 958 23.914 6.479 34.073 1.00 48.54 H new ATOM 0 HB2 HIS B 958 25.239 4.769 35.895 1.00 39.26 H new ATOM 0 HB3 HIS B 958 25.336 6.312 36.104 1.00 39.26 H new ATOM 0 HD2 HIS B 958 22.088 6.720 35.521 1.00 44.51 H new ATOM 0 HE1 HIS B 958 21.735 4.687 38.899 1.00 46.54 H new ATOM 0 HE2 HIS B 958 20.623 6.079 37.342 1.00 54.50 H new ATOM 938 N LEU B 959 26.801 5.450 33.283 1.00 38.60 N ATOM 939 CA LEU B 959 28.138 5.832 32.845 1.00 58.90 C ATOM 940 C LEU B 959 28.134 6.762 31.631 1.00 70.09 C ATOM 941 O LEU B 959 28.596 7.899 31.715 1.00 93.75 O ATOM 942 CB LEU B 959 28.967 4.581 32.547 1.00 65.63 C ATOM 943 CG LEU B 959 29.545 3.894 33.788 1.00 39.76 C ATOM 944 CD1 LEU B 959 30.095 2.525 33.442 1.00 40.85 C ATOM 945 CD2 LEU B 959 30.626 4.760 34.416 1.00 33.36 C ATOM 0 H LEU B 959 26.651 4.603 33.273 1.00 38.60 H new ATOM 0 HA LEU B 959 28.538 6.331 33.574 1.00 58.90 H new ATOM 0 HB2 LEU B 959 28.412 3.946 32.068 1.00 65.63 H new ATOM 0 HB3 LEU B 959 29.697 4.823 31.956 1.00 65.63 H new ATOM 0 HG LEU B 959 28.829 3.776 34.431 1.00 39.76 H new ATOM 0 HD11 LEU B 959 30.455 2.109 34.241 1.00 40.85 H new ATOM 0 HD12 LEU B 959 29.384 1.972 33.083 1.00 40.85 H new ATOM 0 HD13 LEU B 959 30.799 2.616 32.781 1.00 40.85 H new ATOM 0 HD21 LEU B 959 30.983 4.314 35.200 1.00 33.36 H new ATOM 0 HD22 LEU B 959 31.339 4.905 33.774 1.00 33.36 H new ATOM 0 HD23 LEU B 959 30.247 5.614 34.675 1.00 33.36 H new ATOM 946 N MET B 960 27.607 6.289 30.508 1.00 49.08 N ATOM 947 CA MET B 960 27.645 7.073 29.279 1.00 61.49 C ATOM 948 C MET B 960 26.592 8.181 29.261 1.00 77.89 C ATOM 949 O MET B 960 26.892 9.331 28.934 1.00 65.62 O ATOM 950 CB MET B 960 27.464 6.156 28.068 1.00 55.33 C ATOM 951 CG MET B 960 27.412 6.890 26.742 1.00 57.86 C ATOM 952 SD MET B 960 27.465 5.771 25.334 1.00100.55 S ATOM 953 CE MET B 960 27.405 6.937 23.973 1.00 83.04 C ATOM 0 H MET B 960 27.225 5.522 30.436 1.00 49.08 H new ATOM 0 HA MET B 960 28.514 7.503 29.238 1.00 61.49 H new ATOM 0 HB2 MET B 960 28.194 5.517 28.045 1.00 55.33 H new ATOM 0 HB3 MET B 960 26.645 5.648 28.178 1.00 55.33 H new ATOM 0 HG2 MET B 960 26.600 7.420 26.700 1.00 57.86 H new ATOM 0 HG3 MET B 960 28.157 7.508 26.688 1.00 57.86 H new ATOM 0 HE1 MET B 960 27.427 6.454 23.132 1.00 83.04 H new ATOM 0 HE2 MET B 960 26.587 7.455 24.026 1.00 83.04 H new ATOM 0 HE3 MET B 960 28.168 7.533 24.024 1.00 83.04 H new ATOM 954 N SER B 961 25.363 7.831 29.624 1.00 93.25 N ATOM 955 CA SER B 961 24.233 8.745 29.489 1.00 81.88 C ATOM 956 C SER B 961 24.300 9.921 30.462 1.00 73.87 C ATOM 957 O SER B 961 24.148 11.076 30.060 1.00 86.48 O ATOM 958 CB SER B 961 22.915 7.990 29.681 1.00 64.03 C ATOM 959 OG SER B 961 22.767 6.972 28.707 1.00 87.21 O ATOM 0 H SER B 961 25.161 7.063 29.953 1.00 93.25 H new ATOM 0 HA SER B 961 24.278 9.112 28.592 1.00 81.88 H new ATOM 0 HB2 SER B 961 22.888 7.600 30.569 1.00 64.03 H new ATOM 0 HB3 SER B 961 22.171 8.610 29.621 1.00 64.03 H new ATOM 0 HG SER B 961 22.453 6.282 29.068 1.00 87.21 H new ATOM 960 N ALA B 962 24.532 9.629 31.737 1.00 85.02 N ATOM 961 CA ALA B 962 24.490 10.660 32.767 1.00103.11 C ATOM 962 C ALA B 962 25.815 11.410 32.923 1.00 97.35 C ATOM 963 O ALA B 962 25.839 12.526 33.443 1.00 88.39 O ATOM 964 CB ALA B 962 24.074 10.046 34.101 1.00 96.17 C ATOM 0 H ALA B 962 24.716 8.840 32.027 1.00 85.02 H new ATOM 0 HA ALA B 962 23.833 11.314 32.482 1.00103.11 H new ATOM 0 HB1 ALA B 962 24.048 10.737 34.781 1.00 96.17 H new ATOM 0 HB2 ALA B 962 23.195 9.646 34.013 1.00 96.17 H new ATOM 0 HB3 ALA B 962 24.715 9.364 34.357 1.00 96.17 H new ATOM 965 N MET B 963 26.914 10.809 32.474 1.00 89.01 N ATOM 966 CA MET B 963 28.231 11.392 32.720 1.00 98.36 C ATOM 967 C MET B 963 29.034 11.611 31.438 1.00113.17 C ATOM 968 O MET B 963 30.258 11.753 31.487 1.00114.83 O ATOM 969 CB MET B 963 29.027 10.507 33.681 1.00 83.30 C ATOM 970 CG MET B 963 28.188 9.857 34.777 1.00 77.49 C ATOM 971 SD MET B 963 29.174 9.064 36.056 1.00 87.06 S ATOM 972 CE MET B 963 29.958 10.497 36.800 1.00 60.05 C ATOM 0 H MET B 963 26.920 10.072 32.030 1.00 89.01 H new ATOM 0 HA MET B 963 28.080 12.264 33.116 1.00 98.36 H new ATOM 0 HB2 MET B 963 29.470 9.811 33.171 1.00 83.30 H new ATOM 0 HB3 MET B 963 29.723 11.041 34.095 1.00 83.30 H new ATOM 0 HG2 MET B 963 27.623 10.531 35.185 1.00 77.49 H new ATOM 0 HG3 MET B 963 27.599 9.198 34.377 1.00 77.49 H new ATOM 0 HE1 MET B 963 30.407 10.232 37.618 1.00 60.05 H new ATOM 0 HE2 MET B 963 30.606 10.869 36.182 1.00 60.05 H new ATOM 0 HE3 MET B 963 29.285 11.165 37.003 1.00 60.05 H new ATOM 973 N ASN B 964 28.340 11.619 30.300 1.00 76.62 N ATOM 974 CA ASN B 964 28.933 11.897 28.983 1.00 92.79 C ATOM 975 C ASN B 964 30.038 10.929 28.540 1.00 94.01 C ATOM 976 O ASN B 964 30.513 11.008 27.405 1.00 95.37 O ATOM 977 CB ASN B 964 29.475 13.337 28.944 1.00121.02 C ATOM 978 CG ASN B 964 30.990 13.409 29.119 1.00125.20 C ATOM 979 OD1 ASN B 964 31.741 13.454 28.141 1.00136.44 O ATOM 980 ND2 ASN B 964 31.441 13.433 30.367 1.00 99.32 N ATOM 0 H ASN B 964 27.495 11.460 30.268 1.00 76.62 H new ATOM 0 HA ASN B 964 28.207 11.771 28.352 1.00 92.79 H new ATOM 0 HB2 ASN B 964 29.232 13.746 28.098 1.00121.02 H new ATOM 0 HB3 ASN B 964 29.049 13.857 29.643 1.00121.02 H new ATOM 0 HD21 ASN B 964 32.286 13.482 30.518 1.00 99.32 H new ATOM 0 HD22 ASN B 964 30.888 13.400 31.025 1.00 99.32 H new ATOM 981 N ILE B 965 30.423 10.017 29.429 1.00 60.89 N ATOM 982 CA ILE B 965 31.534 9.092 29.211 1.00 55.25 C ATOM 983 C ILE B 965 31.443 8.324 27.894 1.00 56.21 C ATOM 984 O ILE B 965 30.397 7.772 27.563 1.00 63.49 O ATOM 985 CB ILE B 965 31.626 8.082 30.373 1.00 47.71 C ATOM 986 CG1 ILE B 965 31.907 8.819 31.685 1.00 66.79 C ATOM 987 CG2 ILE B 965 32.691 7.032 30.102 1.00 71.45 C ATOM 988 CD1 ILE B 965 32.043 7.904 32.890 1.00 72.74 C ATOM 0 H ILE B 965 30.038 9.916 30.191 1.00 60.89 H new ATOM 0 HA ILE B 965 32.331 9.643 29.169 1.00 55.25 H new ATOM 0 HB ILE B 965 30.775 7.622 30.450 1.00 47.71 H new ATOM 0 HG12 ILE B 965 32.723 9.334 31.588 1.00 66.79 H new ATOM 0 HG13 ILE B 965 31.190 9.452 31.850 1.00 66.79 H new ATOM 0 HG21 ILE B 965 32.729 6.410 30.846 1.00 71.45 H new ATOM 0 HG22 ILE B 965 32.471 6.550 29.289 1.00 71.45 H new ATOM 0 HG23 ILE B 965 33.553 7.464 29.998 1.00 71.45 H new ATOM 0 HD11 ILE B 965 32.219 8.436 33.682 1.00 72.74 H new ATOM 0 HD12 ILE B 965 31.220 7.405 33.012 1.00 72.74 H new ATOM 0 HD13 ILE B 965 32.777 7.286 32.746 1.00 72.74 H new ATOM 989 N LYS B 966 32.542 8.309 27.142 1.00 43.04 N ATOM 990 CA LYS B 966 32.624 7.538 25.903 1.00 30.69 C ATOM 991 C LYS B 966 32.448 6.045 26.184 1.00 42.42 C ATOM 992 O LYS B 966 32.826 5.560 27.251 1.00 36.09 O ATOM 993 CB LYS B 966 33.959 7.792 25.198 1.00 31.79 C ATOM 994 CG LYS B 966 34.216 9.256 24.843 1.00 26.01 C ATOM 995 CD LYS B 966 35.508 9.407 24.041 1.00 43.91 C ATOM 996 CE LYS B 966 35.747 10.853 23.611 1.00 42.98 C ATOM 997 NZ LYS B 966 35.940 11.751 24.784 1.00 57.25 N ATOM 0 H LYS B 966 33.258 8.744 27.335 1.00 43.04 H new ATOM 0 HA LYS B 966 31.906 7.828 25.318 1.00 30.69 H new ATOM 0 HB2 LYS B 966 34.678 7.478 25.768 1.00 31.79 H new ATOM 0 HB3 LYS B 966 33.989 7.263 24.385 1.00 31.79 H new ATOM 0 HG2 LYS B 966 33.470 9.603 24.329 1.00 26.01 H new ATOM 0 HG3 LYS B 966 34.272 9.784 25.655 1.00 26.01 H new ATOM 0 HD2 LYS B 966 36.257 9.101 24.575 1.00 43.91 H new ATOM 0 HD3 LYS B 966 35.469 8.839 23.256 1.00 43.91 H new ATOM 0 HE2 LYS B 966 36.529 10.896 23.038 1.00 42.98 H new ATOM 0 HE3 LYS B 966 34.993 11.164 23.086 1.00 42.98 H new ATOM 0 HZ1 LYS B 966 36.191 12.557 24.503 1.00 57.25 H new ATOM 0 HZ2 LYS B 966 35.176 11.819 25.235 1.00 57.25 H new ATOM 0 HZ3 LYS B 966 36.569 11.414 25.316 1.00 57.25 H new ATOM 998 N ARG B 967 31.883 5.315 25.227 1.00 30.43 N ATOM 999 CA ARG B 967 31.533 3.916 25.459 1.00 35.54 C ATOM 1000 C ARG B 967 32.733 3.029 25.754 1.00 38.27 C ATOM 1001 O ARG B 967 32.608 2.039 26.475 1.00 38.82 O ATOM 1002 CB ARG B 967 30.769 3.347 24.265 1.00 27.11 C ATOM 1003 CG ARG B 967 29.360 2.924 24.609 1.00 75.29 C ATOM 1004 CD ARG B 967 29.301 2.086 25.879 1.00 92.91 C ATOM 1005 NE ARG B 967 28.324 2.618 26.826 1.00 86.99 N ATOM 1006 CZ ARG B 967 27.886 1.970 27.900 1.00 61.63 C ATOM 1007 NH1 ARG B 967 28.329 0.750 28.168 1.00 37.15 N ATOM 1008 NH2 ARG B 967 26.997 2.541 28.702 1.00 46.61 N ATOM 0 H ARG B 967 31.695 5.608 24.441 1.00 30.43 H new ATOM 0 HA ARG B 967 30.973 3.914 26.251 1.00 35.54 H new ATOM 0 HB2 ARG B 967 30.738 4.013 23.561 1.00 27.11 H new ATOM 0 HB3 ARG B 967 31.253 2.584 23.912 1.00 27.11 H new ATOM 0 HG2 ARG B 967 28.806 3.712 24.718 1.00 75.29 H new ATOM 0 HG3 ARG B 967 28.988 2.416 23.871 1.00 75.29 H new ATOM 0 HD2 ARG B 967 29.070 1.171 25.654 1.00 92.91 H new ATOM 0 HD3 ARG B 967 30.177 2.064 26.294 1.00 92.91 H new ATOM 0 HE ARG B 967 28.011 3.405 26.678 1.00 86.99 H new ATOM 0 HH11 ARG B 967 28.901 0.376 27.646 1.00 37.15 H new ATOM 0 HH12 ARG B 967 28.044 0.332 28.864 1.00 37.15 H new ATOM 0 HH21 ARG B 967 26.704 3.330 28.527 1.00 46.61 H new ATOM 0 HH22 ARG B 967 26.713 2.122 29.397 1.00 46.61 H new ATOM 1009 N GLY B 968 33.882 3.375 25.185 1.00 31.11 N ATOM 1010 CA GLY B 968 35.104 2.630 25.428 1.00 32.94 C ATOM 1011 C GLY B 968 35.402 2.460 26.906 1.00 40.79 C ATOM 1012 O GLY B 968 35.279 1.354 27.441 1.00 38.04 O ATOM 0 H GLY B 968 33.972 4.043 24.652 1.00 31.11 H new ATOM 0 HA2 GLY B 968 35.033 1.756 25.014 1.00 32.94 H new ATOM 0 HA3 GLY B 968 35.847 3.086 25.003 1.00 32.94 H new ATOM 1013 N PRO B 969 35.786 3.560 27.577 1.00 33.67 N ATOM 1014 CA PRO B 969 36.029 3.578 29.024 1.00 36.88 C ATOM 1015 C PRO B 969 34.847 3.050 29.836 1.00 31.42 C ATOM 1016 O PRO B 969 35.055 2.321 30.804 1.00 30.32 O ATOM 1017 CB PRO B 969 36.272 5.062 29.315 1.00 32.35 C ATOM 1018 CG PRO B 969 36.817 5.600 28.040 1.00 24.22 C ATOM 1019 CD PRO B 969 36.098 4.858 26.952 1.00 33.69 C ATOM 0 HA PRO B 969 36.767 3.000 29.274 1.00 36.88 H new ATOM 0 HB2 PRO B 969 35.451 5.513 29.567 1.00 32.35 H new ATOM 0 HB3 PRO B 969 36.898 5.182 30.046 1.00 32.35 H new ATOM 0 HG2 PRO B 969 36.665 6.555 27.971 1.00 24.22 H new ATOM 0 HG3 PRO B 969 37.775 5.461 27.983 1.00 24.22 H new ATOM 0 HD2 PRO B 969 35.294 5.323 26.672 1.00 33.69 H new ATOM 0 HD3 PRO B 969 36.653 4.752 26.164 1.00 33.69 H new ATOM 1020 N ALA B 970 33.631 3.408 29.434 1.00 36.43 N ATOM 1021 CA ALA B 970 32.424 3.000 30.147 1.00 32.53 C ATOM 1022 C ALA B 970 32.331 1.481 30.279 1.00 40.78 C ATOM 1023 O ALA B 970 31.955 0.964 31.331 1.00 34.47 O ATOM 1024 CB ALA B 970 31.187 3.547 29.447 1.00 23.82 C ATOM 0 H ALA B 970 33.482 3.894 28.740 1.00 36.43 H new ATOM 0 HA ALA B 970 32.472 3.370 31.042 1.00 32.53 H new ATOM 0 HB1 ALA B 970 30.393 3.270 29.930 1.00 23.82 H new ATOM 0 HB2 ALA B 970 31.229 4.516 29.425 1.00 23.82 H new ATOM 0 HB3 ALA B 970 31.150 3.205 28.540 1.00 23.82 H new ATOM 1025 N LEU B 971 32.677 0.773 29.208 1.00 36.05 N ATOM 1026 CA LEU B 971 32.677 -0.685 29.223 1.00 41.10 C ATOM 1027 C LEU B 971 33.742 -1.226 30.164 1.00 30.77 C ATOM 1028 O LEU B 971 33.492 -2.156 30.930 1.00 32.71 O ATOM 1029 CB LEU B 971 32.896 -1.236 27.813 1.00 29.97 C ATOM 1030 CG LEU B 971 31.720 -1.050 26.854 1.00 31.39 C ATOM 1031 CD1 LEU B 971 32.090 -1.506 25.459 1.00 40.01 C ATOM 1032 CD2 LEU B 971 30.490 -1.795 27.353 1.00 38.98 C ATOM 0 H LEU B 971 32.916 1.121 28.459 1.00 36.05 H new ATOM 0 HA LEU B 971 31.810 -0.977 29.545 1.00 41.10 H new ATOM 0 HB2 LEU B 971 33.678 -0.807 27.431 1.00 29.97 H new ATOM 0 HB3 LEU B 971 33.095 -2.183 27.878 1.00 29.97 H new ATOM 0 HG LEU B 971 31.507 -0.104 26.819 1.00 31.39 H new ATOM 0 HD11 LEU B 971 31.333 -1.381 24.866 1.00 40.01 H new ATOM 0 HD12 LEU B 971 32.842 -0.985 25.137 1.00 40.01 H new ATOM 0 HD13 LEU B 971 32.332 -2.445 25.479 1.00 40.01 H new ATOM 0 HD21 LEU B 971 29.757 -1.664 26.731 1.00 38.98 H new ATOM 0 HD22 LEU B 971 30.690 -2.742 27.421 1.00 38.98 H new ATOM 0 HD23 LEU B 971 30.237 -1.455 28.226 1.00 38.98 H new ATOM 1033 N LYS B 972 34.932 -0.638 30.098 1.00 35.74 N ATOM 1034 CA LYS B 972 36.042 -1.058 30.941 1.00 26.69 C ATOM 1035 C LYS B 972 35.797 -0.692 32.399 1.00 33.53 C ATOM 1036 O LYS B 972 36.101 -1.472 33.298 1.00 36.66 O ATOM 1037 CB LYS B 972 37.351 -0.439 30.442 1.00 26.39 C ATOM 1038 CG LYS B 972 37.819 -1.003 29.106 1.00 28.36 C ATOM 1039 CD LYS B 972 39.070 -0.305 28.593 1.00 36.49 C ATOM 1040 CE LYS B 972 38.760 1.083 28.058 1.00 31.88 C ATOM 1041 NZ LYS B 972 39.964 1.716 27.451 1.00 31.54 N1+ ATOM 0 H LYS B 972 35.117 0.012 29.566 1.00 35.74 H new ATOM 0 HA LYS B 972 36.113 -2.024 30.887 1.00 26.69 H new ATOM 0 HB2 LYS B 972 37.235 0.520 30.357 1.00 26.39 H new ATOM 0 HB3 LYS B 972 38.043 -0.584 31.106 1.00 26.39 H new ATOM 0 HG2 LYS B 972 37.996 -1.952 29.202 1.00 28.36 H new ATOM 0 HG3 LYS B 972 37.109 -0.912 28.452 1.00 28.36 H new ATOM 0 HD2 LYS B 972 39.720 -0.238 29.310 1.00 36.49 H new ATOM 0 HD3 LYS B 972 39.475 -0.839 27.892 1.00 36.49 H new ATOM 0 HE2 LYS B 972 38.054 1.025 27.395 1.00 31.88 H new ATOM 0 HE3 LYS B 972 38.428 1.642 28.778 1.00 31.88 H new ATOM 0 HZ1 LYS B 972 39.711 2.371 26.904 1.00 31.54 H new ATOM 0 HZ2 LYS B 972 40.480 2.050 28.094 1.00 31.54 H new ATOM 0 HZ3 LYS B 972 40.421 1.106 26.992 1.00 31.54 H new ATOM 1042 N ILE B 973 35.240 0.493 32.627 1.00 26.44 N ATOM 1043 CA ILE B 973 34.923 0.939 33.979 1.00 27.82 C ATOM 1044 C ILE B 973 33.851 0.053 34.612 1.00 31.75 C ATOM 1045 O ILE B 973 33.986 -0.374 35.757 1.00 35.66 O ATOM 1046 CB ILE B 973 34.449 2.410 33.992 1.00 28.89 C ATOM 1047 CG1 ILE B 973 35.622 3.347 33.701 1.00 32.37 C ATOM 1048 CG2 ILE B 973 33.820 2.764 35.330 1.00 26.86 C ATOM 1049 CD1 ILE B 973 35.225 4.797 33.536 1.00 27.23 C ATOM 0 H ILE B 973 35.037 1.056 32.009 1.00 26.44 H new ATOM 0 HA ILE B 973 35.739 0.871 34.499 1.00 27.82 H new ATOM 0 HB ILE B 973 33.778 2.518 33.300 1.00 28.89 H new ATOM 0 HG12 ILE B 973 36.266 3.278 34.423 1.00 32.37 H new ATOM 0 HG13 ILE B 973 36.069 3.050 32.893 1.00 32.37 H new ATOM 0 HG21 ILE B 973 33.530 3.690 35.317 1.00 26.86 H new ATOM 0 HG22 ILE B 973 33.056 2.189 35.491 1.00 26.86 H new ATOM 0 HG23 ILE B 973 34.472 2.640 36.037 1.00 26.86 H new ATOM 0 HD11 ILE B 973 36.015 5.330 33.355 1.00 27.23 H new ATOM 0 HD12 ILE B 973 34.602 4.880 32.797 1.00 27.23 H new ATOM 0 HD13 ILE B 973 34.803 5.112 34.351 1.00 27.23 H new HETATM 1050 N CME B 974 32.798 -0.232 33.853 1.00 28.35 N HETATM 1051 CA CME B 974 31.683 -1.017 34.345 1.00 27.83 C HETATM 1052 CB CME B 974 30.483 -1.102 33.397 1.00 36.50 C HETATM 1053 SG CME B 974 29.039 -1.812 34.106 1.00 49.93 S HETATM 1054 SD CME B 974 28.492 -0.577 35.729 1.00 55.00 S HETATM 1055 CE CME B 974 27.395 -1.506 36.741 1.00 51.32 C HETATM 1056 CZ CME B 974 27.891 -1.673 38.158 1.00 59.53 C HETATM 1057 OH CME B 974 28.032 -3.067 38.389 1.00 52.56 O HETATM 1058 C CME B 974 32.116 -2.443 34.667 1.00 38.32 C HETATM 1059 O CME B 974 31.668 -3.091 35.615 1.00 41.04 O HETATM 0 HZ3 CME B 974 28.739 -1.218 38.280 1.00 59.53 H new HETATM 0 HZ2 CME B 974 27.266 -1.283 38.788 1.00 59.53 H new HETATM 0 HH CME B 974 28.591 -3.385 37.849 1.00 52.56 H new HETATM 0 HE3 CME B 974 26.530 -1.068 36.757 1.00 51.32 H new HETATM 0 HE2 CME B 974 27.263 -2.382 36.345 1.00 51.32 H new HETATM 0 HB3 CME B 974 30.270 -0.209 33.083 1.00 36.50 H new HETATM 0 HB2 CME B 974 30.737 -1.623 32.619 1.00 36.50 H new HETATM 0 HA CME B 974 31.396 -0.539 35.139 1.00 27.83 H new HETATM 0 H CME B 974 32.752 0.143 33.081 1.00 28.35 H new ATOM 1060 N ALA B 975 33.023 -2.950 33.838 1.00 33.41 N ATOM 1061 CA ALA B 975 33.534 -4.307 33.999 1.00 32.79 C ATOM 1062 C ALA B 975 34.382 -4.434 35.259 1.00 39.52 C ATOM 1063 O ALA B 975 34.241 -5.391 36.022 1.00 44.59 O ATOM 1064 CB ALA B 975 34.342 -4.717 32.778 1.00 29.59 C ATOM 0 H ALA B 975 33.357 -2.521 33.172 1.00 33.41 H new ATOM 0 HA ALA B 975 32.773 -4.902 34.088 1.00 32.79 H new ATOM 0 HB1 ALA B 975 34.675 -5.620 32.898 1.00 29.59 H new ATOM 0 HB2 ALA B 975 33.777 -4.684 31.990 1.00 29.59 H new ATOM 0 HB3 ALA B 975 35.090 -4.109 32.666 1.00 29.59 H new ATOM 1065 N ARG B 976 35.260 -3.459 35.471 1.00 35.66 N ATOM 1066 CA ARG B 976 36.154 -3.462 36.622 1.00 34.09 C ATOM 1067 C ARG B 976 35.404 -3.193 37.923 1.00 36.95 C ATOM 1068 O ARG B 976 35.847 -3.601 38.997 1.00 42.73 O ATOM 1069 CB ARG B 976 37.265 -2.430 36.429 1.00 42.13 C ATOM 1070 CG ARG B 976 38.255 -2.792 35.334 1.00 35.94 C ATOM 1071 CD ARG B 976 39.024 -4.051 35.689 1.00 35.82 C ATOM 1072 NE ARG B 976 39.753 -3.899 36.945 1.00 39.80 N ATOM 1073 CZ ARG B 976 40.967 -3.365 37.045 1.00 58.20 C ATOM 1074 NH1 ARG B 976 41.593 -2.930 35.960 1.00 55.04 N1+ ATOM 1075 NH2 ARG B 976 41.556 -3.265 38.230 1.00 52.52 N ATOM 0 H ARG B 976 35.354 -2.779 34.953 1.00 35.66 H new ATOM 0 HA ARG B 976 36.546 -4.347 36.688 1.00 34.09 H new ATOM 0 HB2 ARG B 976 36.865 -1.571 36.221 1.00 42.13 H new ATOM 0 HB3 ARG B 976 37.745 -2.324 37.265 1.00 42.13 H new ATOM 0 HG2 ARG B 976 37.783 -2.923 34.497 1.00 35.94 H new ATOM 0 HG3 ARG B 976 38.875 -2.058 35.198 1.00 35.94 H new ATOM 0 HD2 ARG B 976 38.409 -4.798 35.759 1.00 35.82 H new ATOM 0 HD3 ARG B 976 39.647 -4.263 34.976 1.00 35.82 H new ATOM 0 HE ARG B 976 39.373 -4.172 37.666 1.00 39.80 H new ATOM 0 HH11 ARG B 976 41.214 -2.993 35.191 1.00 55.04 H new ATOM 0 HH12 ARG B 976 42.378 -2.585 36.026 1.00 55.04 H new ATOM 0 HH21 ARG B 976 41.153 -3.546 38.936 1.00 52.52 H new ATOM 0 HH22 ARG B 976 42.341 -2.919 38.292 1.00 52.52 H new ATOM 1076 N ILE B 977 34.271 -2.505 37.824 1.00 43.99 N ATOM 1077 CA ILE B 977 33.423 -2.264 38.985 1.00 38.69 C ATOM 1078 C ILE B 977 32.724 -3.561 39.385 1.00 38.84 C ATOM 1079 O ILE B 977 32.556 -3.850 40.570 1.00 41.74 O ATOM 1080 CB ILE B 977 32.382 -1.153 38.709 1.00 44.11 C ATOM 1081 CG1 ILE B 977 33.066 0.216 38.685 1.00 31.92 C ATOM 1082 CG2 ILE B 977 31.282 -1.156 39.760 1.00 31.56 C ATOM 1083 CD1 ILE B 977 32.127 1.363 38.397 1.00 39.83 C ATOM 0 H ILE B 977 33.975 -2.168 37.090 1.00 43.99 H new ATOM 0 HA ILE B 977 33.985 -1.960 39.715 1.00 38.69 H new ATOM 0 HB ILE B 977 31.980 -1.330 37.844 1.00 44.11 H new ATOM 0 HG12 ILE B 977 33.496 0.368 39.541 1.00 31.92 H new ATOM 0 HG13 ILE B 977 33.766 0.206 38.014 1.00 31.92 H new ATOM 0 HG21 ILE B 977 30.645 -0.452 39.564 1.00 31.56 H new ATOM 0 HG22 ILE B 977 30.829 -2.013 39.752 1.00 31.56 H new ATOM 0 HG23 ILE B 977 31.671 -1.005 40.636 1.00 31.56 H new ATOM 0 HD11 ILE B 977 32.624 2.196 38.397 1.00 39.83 H new ATOM 0 HD12 ILE B 977 31.714 1.233 37.529 1.00 39.83 H new ATOM 0 HD13 ILE B 977 31.439 1.398 39.080 1.00 39.83 H new ATOM 1084 N ASN B 978 32.338 -4.351 38.389 1.00 41.35 N ATOM 1085 CA ASN B 978 31.731 -5.652 38.641 1.00 46.47 C ATOM 1086 C ASN B 978 32.711 -6.613 39.304 1.00 45.48 C ATOM 1087 O ASN B 978 32.337 -7.374 40.196 1.00 61.29 O ATOM 1088 CB ASN B 978 31.203 -6.257 37.340 1.00 55.81 C ATOM 1089 CG ASN B 978 29.941 -5.573 36.852 1.00 57.37 C ATOM 1090 OD1 ASN B 978 29.132 -5.099 37.650 1.00 54.13 O ATOM 1091 ND2 ASN B 978 29.766 -5.519 35.535 1.00 52.17 N ATOM 0 H ASN B 978 32.419 -4.151 37.557 1.00 41.35 H new ATOM 0 HA ASN B 978 30.990 -5.513 39.252 1.00 46.47 H new ATOM 0 HB2 ASN B 978 31.887 -6.193 36.656 1.00 55.81 H new ATOM 0 HB3 ASN B 978 31.024 -7.201 37.475 1.00 55.81 H new ATOM 0 HD21 ASN B 978 29.065 -5.142 35.209 1.00 52.17 H new ATOM 0 HD22 ASN B 978 30.354 -5.862 35.009 1.00 52.17 H new ATOM 1092 N SER B 979 33.964 -6.573 38.863 1.00 43.14 N ATOM 1093 CA SER B 979 35.020 -7.378 39.470 1.00 49.60 C ATOM 1094 C SER B 979 35.306 -6.889 40.885 1.00 51.63 C ATOM 1095 O SER B 979 35.691 -7.664 41.761 1.00 44.90 O ATOM 1096 CB SER B 979 36.293 -7.325 38.623 1.00 39.52 C ATOM 1097 OG SER B 979 36.029 -7.705 37.283 1.00 65.46 O ATOM 0 H SER B 979 34.226 -6.082 38.207 1.00 43.14 H new ATOM 0 HA SER B 979 34.719 -8.299 39.512 1.00 49.60 H new ATOM 0 HB2 SER B 979 36.661 -6.428 38.642 1.00 39.52 H new ATOM 0 HB3 SER B 979 36.963 -7.914 39.004 1.00 39.52 H new ATOM 0 HG SER B 979 35.579 -7.105 36.905 1.00 65.46 H new ATOM 1098 N LEU B 980 35.115 -5.591 41.093 1.00 52.90 N ATOM 1099 CA LEU B 980 35.284 -4.983 42.405 1.00 37.70 C ATOM 1100 C LEU B 980 34.205 -5.497 43.348 1.00 35.35 C ATOM 1101 O LEU B 980 34.478 -5.822 44.503 1.00 42.83 O ATOM 1102 CB LEU B 980 35.231 -3.459 42.297 1.00 43.01 C ATOM 1103 CG LEU B 980 35.845 -2.655 43.441 1.00 38.34 C ATOM 1104 CD1 LEU B 980 37.342 -2.909 43.516 1.00 57.34 C ATOM 1105 CD2 LEU B 980 35.552 -1.174 43.257 1.00 42.28 C ATOM 0 H LEU B 980 34.884 -5.038 40.476 1.00 52.90 H new ATOM 0 HA LEU B 980 36.153 -5.227 42.761 1.00 37.70 H new ATOM 0 HB2 LEU B 980 35.677 -3.200 41.475 1.00 43.01 H new ATOM 0 HB3 LEU B 980 34.301 -3.196 42.210 1.00 43.01 H new ATOM 0 HG LEU B 980 35.447 -2.941 44.278 1.00 38.34 H new ATOM 0 HD11 LEU B 980 37.722 -2.394 44.245 1.00 57.34 H new ATOM 0 HD12 LEU B 980 37.503 -3.853 43.669 1.00 57.34 H new ATOM 0 HD13 LEU B 980 37.758 -2.642 42.681 1.00 57.34 H new ATOM 0 HD21 LEU B 980 35.946 -0.673 43.988 1.00 42.28 H new ATOM 0 HD22 LEU B 980 35.931 -0.871 42.417 1.00 42.28 H new ATOM 0 HD23 LEU B 980 34.592 -1.032 43.249 1.00 42.28 H new ATOM 1106 N LYS B 981 32.977 -5.574 42.841 1.00 51.44 N ATOM 1107 CA LYS B 981 31.871 -6.160 43.587 1.00 52.42 C ATOM 1108 C LYS B 981 32.006 -7.680 43.640 1.00 60.27 C ATOM 1109 O LYS B 981 31.228 -8.357 44.313 1.00 72.74 O ATOM 1110 CB LYS B 981 30.526 -5.768 42.963 1.00 38.90 C ATOM 1111 CG LYS B 981 29.820 -4.623 43.676 1.00 37.81 C ATOM 1112 CD LYS B 981 29.595 -3.430 42.759 1.00 34.99 C ATOM 1113 CE LYS B 981 28.150 -3.341 42.297 1.00 37.25 C ATOM 1114 NZ LYS B 981 27.877 -2.063 41.578 1.00 47.87 N1+ ATOM 0 H LYS B 981 32.764 -5.289 42.058 1.00 51.44 H new ATOM 0 HA LYS B 981 31.901 -5.814 44.493 1.00 52.42 H new ATOM 0 HB2 LYS B 981 30.670 -5.519 42.037 1.00 38.90 H new ATOM 0 HB3 LYS B 981 29.943 -6.543 42.961 1.00 38.90 H new ATOM 0 HG2 LYS B 981 28.966 -4.933 44.017 1.00 37.81 H new ATOM 0 HG3 LYS B 981 30.347 -4.346 44.442 1.00 37.81 H new ATOM 0 HD2 LYS B 981 29.837 -2.614 43.224 1.00 34.99 H new ATOM 0 HD3 LYS B 981 30.178 -3.500 41.987 1.00 34.99 H new ATOM 0 HE2 LYS B 981 27.950 -4.090 41.714 1.00 37.25 H new ATOM 0 HE3 LYS B 981 27.560 -3.413 43.064 1.00 37.25 H new ATOM 0 HZ1 LYS B 981 27.279 -2.206 40.935 1.00 47.87 H new ATOM 0 HZ2 LYS B 981 27.558 -1.462 42.151 1.00 47.87 H new ATOM 0 HZ3 LYS B 981 28.632 -1.758 41.218 1.00 47.87 H new ATOM 1115 N GLU B 982 32.993 -8.198 42.907 1.00 66.92 N ATOM 1116 CA GLU B 982 33.289 -9.631 42.809 1.00 74.10 C ATOM 1117 C GLU B 982 32.173 -10.444 42.146 1.00 75.85 C ATOM 1118 O GLU B 982 32.342 -11.640 41.899 1.00101.25 O ATOM 1119 CB GLU B 982 33.603 -10.217 44.190 1.00 62.24 C ATOM 1120 CG GLU B 982 35.090 -10.359 44.481 1.00 46.38 C ATOM 1121 CD GLU B 982 35.636 -9.232 45.336 1.00 65.72 C ATOM 1122 OE1 GLU B 982 35.104 -9.013 46.445 1.00 45.34 O ATOM 1123 OE2 GLU B 982 36.600 -8.566 44.899 1.00 56.71 O1+ ATOM 0 H GLU B 982 33.525 -7.711 42.439 1.00 66.92 H new ATOM 0 HA GLU B 982 34.068 -9.700 42.235 1.00 74.10 H new ATOM 0 HB2 GLU B 982 33.203 -9.652 44.869 1.00 62.24 H new ATOM 0 HB3 GLU B 982 33.184 -11.089 44.264 1.00 62.24 H new ATOM 0 HG2 GLU B 982 35.247 -11.204 44.930 1.00 46.38 H new ATOM 0 HG3 GLU B 982 35.577 -10.388 43.643 1.00 46.38 H new ATOM 1124 N SER B 983 31.050 -9.791 41.854 1.00 69.21 N ATOM 1125 CA SER B 983 29.906 -10.428 41.203 1.00 88.75 C ATOM 1126 C SER B 983 29.460 -11.700 41.923 1.00 82.94 C ATOM 1127 O SER B 983 28.313 -12.130 41.791 1.00 86.42 O ATOM 1128 CB SER B 983 30.231 -10.740 39.740 1.00 86.99 C ATOM 1129 OG SER B 983 30.535 -9.555 39.025 1.00 61.21 O ATOM 0 H SER B 983 30.929 -8.958 42.030 1.00 69.21 H new ATOM 0 HA SER B 983 29.169 -9.798 41.244 1.00 88.75 H new ATOM 0 HB2 SER B 983 30.983 -11.351 39.695 1.00 86.99 H new ATOM 0 HB3 SER B 983 29.477 -11.188 39.326 1.00 86.99 H new ATOM 0 HG SER B 983 31.141 -9.133 39.426 1.00 61.21 H new TER 1130 SER B 983 ATOM 1131 N THR C 912 4.420 14.597 66.094 1.00 69.43 N ATOM 1132 CA THR C 912 3.377 14.482 65.079 1.00 84.30 C ATOM 1133 C THR C 912 3.347 13.080 64.474 1.00 93.07 C ATOM 1134 O THR C 912 2.965 12.115 65.138 1.00105.47 O ATOM 1135 CB THR C 912 3.568 15.517 63.949 1.00 92.12 C ATOM 1136 OG1 THR C 912 4.809 15.273 63.276 1.00105.25 O ATOM 1137 CG2 THR C 912 3.572 16.930 64.516 1.00 96.69 C ATOM 0 HA THR C 912 2.533 14.656 65.525 1.00 84.30 H new ATOM 0 HB THR C 912 2.832 15.431 63.323 1.00 92.12 H new ATOM 0 HG1 THR C 912 5.360 14.939 63.816 1.00105.25 H new ATOM 0 HG21 THR C 912 3.693 17.568 63.795 1.00 96.69 H new ATOM 0 HG22 THR C 912 2.728 17.102 64.962 1.00 96.69 H new ATOM 0 HG23 THR C 912 4.298 17.021 65.153 1.00 96.69 H new ATOM 1138 N ARG C 913 3.751 12.977 63.211 1.00 93.09 N ATOM 1139 CA ARG C 913 3.754 11.702 62.502 1.00100.56 C ATOM 1140 C ARG C 913 5.157 11.387 61.979 1.00108.88 C ATOM 1141 O ARG C 913 5.899 12.294 61.596 1.00116.91 O ATOM 1142 CB ARG C 913 2.743 11.733 61.351 1.00 96.12 C ATOM 1143 CG ARG C 913 1.617 12.751 61.536 1.00101.37 C ATOM 1144 CD ARG C 913 0.330 12.121 62.055 1.00 74.56 C ATOM 1145 NE ARG C 913 0.562 11.136 63.107 1.00 89.93 N ATOM 1146 CZ ARG C 913 0.275 9.843 62.993 1.00 87.28 C ATOM 1147 NH1 ARG C 913 -0.268 9.382 61.875 1.00 80.54 N ATOM 1148 NH2 ARG C 913 0.522 9.014 63.998 1.00 82.93 N ATOM 0 H ARG C 913 4.030 13.642 62.743 1.00 93.09 H new ATOM 0 HA ARG C 913 3.494 11.001 63.120 1.00100.56 H new ATOM 0 HB2 ARG C 913 3.213 11.931 60.526 1.00 96.12 H new ATOM 0 HB3 ARG C 913 2.354 10.850 61.251 1.00 96.12 H new ATOM 0 HG2 ARG C 913 1.907 13.439 62.155 1.00101.37 H new ATOM 0 HG3 ARG C 913 1.439 13.188 60.688 1.00101.37 H new ATOM 0 HD2 ARG C 913 -0.252 12.819 62.395 1.00 74.56 H new ATOM 0 HD3 ARG C 913 -0.137 11.696 61.318 1.00 74.56 H new ATOM 0 HE ARG C 913 0.906 11.409 63.847 1.00 89.93 H new ATOM 0 HH11 ARG C 913 -0.434 9.919 61.224 1.00 80.54 H new ATOM 0 HH12 ARG C 913 -0.454 8.546 61.800 1.00 80.54 H new ATOM 0 HH21 ARG C 913 0.869 9.312 64.726 1.00 82.93 H new ATOM 0 HH22 ARG C 913 0.335 8.178 63.922 1.00 82.93 H new ATOM 1149 N THR C 914 5.518 10.105 61.964 1.00105.56 N ATOM 1150 CA THR C 914 6.866 9.694 61.573 1.00 87.51 C ATOM 1151 C THR C 914 7.011 9.493 60.064 1.00 98.99 C ATOM 1152 O THR C 914 8.126 9.420 59.545 1.00 81.63 O ATOM 1153 CB THR C 914 7.279 8.387 62.273 1.00 62.55 C ATOM 1154 OG1 THR C 914 8.700 8.225 62.191 1.00 72.96 O ATOM 1155 CG2 THR C 914 6.599 7.190 61.618 1.00 40.94 C ATOM 0 H THR C 914 4.996 9.456 62.177 1.00105.56 H new ATOM 0 HA THR C 914 7.446 10.421 61.848 1.00 87.51 H new ATOM 0 HB THR C 914 7.005 8.435 63.202 1.00 62.55 H new ATOM 0 HG1 THR C 914 8.983 8.587 61.488 1.00 72.96 H new ATOM 0 HG21 THR C 914 6.870 6.376 62.071 1.00 40.94 H new ATOM 0 HG22 THR C 914 5.636 7.290 61.682 1.00 40.94 H new ATOM 0 HG23 THR C 914 6.858 7.142 60.684 1.00 40.94 H new ATOM 1156 N GLU C 915 5.880 9.401 59.371 1.00 92.66 N ATOM 1157 CA GLU C 915 5.855 9.107 57.941 1.00 79.91 C ATOM 1158 C GLU C 915 6.456 10.241 57.109 1.00 76.04 C ATOM 1159 O GLU C 915 6.223 11.416 57.393 1.00 71.48 O ATOM 1160 CB GLU C 915 4.415 8.820 57.499 1.00 79.05 C ATOM 1161 CG GLU C 915 4.162 8.945 56.005 1.00 97.64 C ATOM 1162 CD GLU C 915 4.278 7.623 55.268 1.00107.48 C ATOM 1163 OE1 GLU C 915 3.572 6.665 55.651 1.00111.07 O ATOM 1164 OE2 GLU C 915 5.071 7.546 54.304 1.00 90.94 O1+ ATOM 0 H GLU C 915 5.101 9.508 59.719 1.00 92.66 H new ATOM 0 HA GLU C 915 6.404 8.322 57.788 1.00 79.91 H new ATOM 0 HB2 GLU C 915 4.178 7.922 57.779 1.00 79.05 H new ATOM 0 HB3 GLU C 915 3.821 9.428 57.966 1.00 79.05 H new ATOM 0 HG2 GLU C 915 3.275 9.312 55.862 1.00 97.64 H new ATOM 0 HG3 GLU C 915 4.794 9.576 55.627 1.00 97.64 H new ATOM 1165 N PRO C 916 7.249 9.888 56.085 1.00 73.70 N ATOM 1166 CA PRO C 916 7.883 10.876 55.205 1.00 69.05 C ATOM 1167 C PRO C 916 6.916 11.560 54.234 1.00 59.54 C ATOM 1168 O PRO C 916 7.240 12.627 53.713 1.00 44.74 O ATOM 1169 CB PRO C 916 8.913 10.043 54.437 1.00 58.82 C ATOM 1170 CG PRO C 916 8.358 8.663 54.446 1.00 59.01 C ATOM 1171 CD PRO C 916 7.690 8.515 55.780 1.00 55.87 C ATOM 0 HA PRO C 916 8.256 11.611 55.716 1.00 69.05 H new ATOM 0 HB2 PRO C 916 9.028 10.371 53.532 1.00 58.82 H new ATOM 0 HB3 PRO C 916 9.783 10.076 54.864 1.00 58.82 H new ATOM 0 HG2 PRO C 916 7.726 8.535 53.722 1.00 59.01 H new ATOM 0 HG3 PRO C 916 9.059 8.003 54.330 1.00 59.01 H new ATOM 0 HD2 PRO C 916 6.942 7.898 55.741 1.00 55.87 H new ATOM 0 HD3 PRO C 916 8.302 8.177 56.452 1.00 55.87 H new ATOM 1172 N SER C 917 5.753 10.963 53.998 1.00 49.75 N ATOM 1173 CA SER C 917 4.806 11.507 53.028 1.00 54.04 C ATOM 1174 C SER C 917 4.236 12.855 53.465 1.00 61.98 C ATOM 1175 O SER C 917 3.780 13.640 52.633 1.00 53.51 O ATOM 1176 CB SER C 917 3.662 10.522 52.781 1.00 57.89 C ATOM 1177 OG SER C 917 2.670 10.631 53.788 1.00 82.35 O ATOM 0 H SER C 917 5.492 10.242 54.388 1.00 49.75 H new ATOM 0 HA SER C 917 5.299 11.647 52.205 1.00 54.04 H new ATOM 0 HB2 SER C 917 3.266 10.693 51.912 1.00 57.89 H new ATOM 0 HB3 SER C 917 4.009 9.616 52.761 1.00 57.89 H new ATOM 0 HG SER C 917 2.052 10.084 53.633 1.00 82.35 H new ATOM 1178 N ILE C 918 4.259 13.124 54.767 1.00 57.05 N ATOM 1179 CA ILE C 918 3.774 14.403 55.274 1.00 55.02 C ATOM 1180 C ILE C 918 4.920 15.286 55.759 1.00 58.08 C ATOM 1181 O ILE C 918 4.702 16.248 56.497 1.00 58.97 O ATOM 1182 CB ILE C 918 2.754 14.222 56.420 1.00 42.87 C ATOM 1183 CG1 ILE C 918 3.413 13.586 57.649 1.00 50.61 C ATOM 1184 CG2 ILE C 918 1.555 13.413 55.938 1.00 58.85 C ATOM 1185 CD1 ILE C 918 3.140 12.110 57.805 1.00 66.76 C ATOM 0 H ILE C 918 4.549 12.584 55.370 1.00 57.05 H new ATOM 0 HA ILE C 918 3.331 14.838 54.529 1.00 55.02 H new ATOM 0 HB ILE C 918 2.433 15.097 56.690 1.00 42.87 H new ATOM 0 HG12 ILE C 918 4.372 13.723 57.596 1.00 50.61 H new ATOM 0 HG13 ILE C 918 3.104 14.047 58.444 1.00 50.61 H new ATOM 0 HG21 ILE C 918 0.923 13.306 56.666 1.00 58.85 H new ATOM 0 HG22 ILE C 918 1.126 13.877 55.203 1.00 58.85 H new ATOM 0 HG23 ILE C 918 1.853 12.540 55.639 1.00 58.85 H new ATOM 0 HD11 ILE C 918 3.587 11.780 58.600 1.00 66.76 H new ATOM 0 HD12 ILE C 918 2.185 11.964 57.888 1.00 66.76 H new ATOM 0 HD13 ILE C 918 3.472 11.635 57.027 1.00 66.76 H new ATOM 1186 N TRP C 919 6.139 14.959 55.339 1.00 48.65 N ATOM 1187 CA TRP C 919 7.295 15.794 55.645 1.00 44.40 C ATOM 1188 C TRP C 919 7.126 17.192 55.068 1.00 41.48 C ATOM 1189 O TRP C 919 6.674 17.355 53.934 1.00 39.43 O ATOM 1190 CB TRP C 919 8.581 15.173 55.099 1.00 50.76 C ATOM 1191 CG TRP C 919 9.179 14.122 55.964 1.00 45.49 C ATOM 1192 CD1 TRP C 919 8.681 13.639 57.138 1.00 56.89 C ATOM 1193 CD2 TRP C 919 10.404 13.422 55.729 1.00 54.27 C ATOM 1194 NE1 TRP C 919 9.519 12.676 57.647 1.00 58.34 N ATOM 1195 CE2 TRP C 919 10.586 12.525 56.799 1.00 59.10 C ATOM 1196 CE3 TRP C 919 11.366 13.465 54.715 1.00 59.58 C ATOM 1197 CZ2 TRP C 919 11.690 11.678 56.885 1.00 62.41 C ATOM 1198 CZ3 TRP C 919 12.461 12.625 54.801 1.00 56.59 C ATOM 1199 CH2 TRP C 919 12.614 11.744 55.878 1.00 57.90 C ATOM 0 H TRP C 919 6.317 14.257 54.875 1.00 48.65 H new ATOM 0 HA TRP C 919 7.359 15.855 56.611 1.00 44.40 H new ATOM 0 HB2 TRP C 919 8.396 14.791 54.227 1.00 50.76 H new ATOM 0 HB3 TRP C 919 9.235 15.877 54.967 1.00 50.76 H new ATOM 0 HD1 TRP C 919 7.889 13.920 57.536 1.00 56.89 H new ATOM 0 HE1 TRP C 919 9.395 12.240 58.378 1.00 58.34 H new ATOM 0 HE3 TRP C 919 11.271 14.048 53.996 1.00 59.58 H new ATOM 0 HZ2 TRP C 919 11.794 11.091 57.599 1.00 62.41 H new ATOM 0 HZ3 TRP C 919 13.107 12.646 54.132 1.00 56.59 H new ATOM 0 HH2 TRP C 919 13.361 11.191 55.910 1.00 57.90 H new ATOM 1200 N THR C 920 7.495 18.197 55.853 1.00 43.05 N ATOM 1201 CA THR C 920 7.447 19.575 55.392 1.00 48.52 C ATOM 1202 C THR C 920 8.674 19.881 54.546 1.00 42.02 C ATOM 1203 O THR C 920 9.526 19.016 54.345 1.00 45.08 O ATOM 1204 CB THR C 920 7.372 20.564 56.567 1.00 53.38 C ATOM 1205 OG1 THR C 920 8.585 20.499 57.329 1.00 43.43 O ATOM 1206 CG2 THR C 920 6.190 20.233 57.467 1.00 55.28 C ATOM 0 H THR C 920 7.777 18.100 56.660 1.00 43.05 H new ATOM 0 HA THR C 920 6.644 19.680 54.858 1.00 48.52 H new ATOM 0 HB THR C 920 7.255 21.459 56.213 1.00 53.38 H new ATOM 0 HG1 THR C 920 8.543 21.041 57.970 1.00 43.43 H new ATOM 0 HG21 THR C 920 6.156 20.865 58.202 1.00 55.28 H new ATOM 0 HG22 THR C 920 5.368 20.289 56.955 1.00 55.28 H new ATOM 0 HG23 THR C 920 6.292 19.334 57.818 1.00 55.28 H new ATOM 1207 N VAL C 921 8.760 21.110 54.049 1.00 52.49 N ATOM 1208 CA VAL C 921 9.912 21.533 53.263 1.00 50.25 C ATOM 1209 C VAL C 921 11.165 21.532 54.136 1.00 49.82 C ATOM 1210 O VAL C 921 12.260 21.215 53.670 1.00 51.79 O ATOM 1211 CB VAL C 921 9.697 22.933 52.651 1.00 52.87 C ATOM 1212 CG1 VAL C 921 10.867 23.314 51.751 1.00 33.06 C ATOM 1213 CG2 VAL C 921 8.388 22.975 51.874 1.00 53.99 C ATOM 0 H VAL C 921 8.159 21.716 54.156 1.00 52.49 H new ATOM 0 HA VAL C 921 10.024 20.904 52.533 1.00 50.25 H new ATOM 0 HB VAL C 921 9.649 23.579 53.373 1.00 52.87 H new ATOM 0 HG11 VAL C 921 10.714 24.195 51.376 1.00 33.06 H new ATOM 0 HG12 VAL C 921 11.686 23.322 52.271 1.00 33.06 H new ATOM 0 HG13 VAL C 921 10.947 22.667 51.032 1.00 33.06 H new ATOM 0 HG21 VAL C 921 8.265 23.859 51.495 1.00 53.99 H new ATOM 0 HG22 VAL C 921 8.414 22.318 51.160 1.00 53.99 H new ATOM 0 HG23 VAL C 921 7.650 22.774 52.471 1.00 53.99 H new ATOM 1214 N ASP C 922 10.990 21.872 55.410 1.00 58.20 N ATOM 1215 CA ASP C 922 12.092 21.883 56.368 1.00 61.56 C ATOM 1216 C ASP C 922 12.599 20.476 56.667 1.00 60.54 C ATOM 1217 O ASP C 922 13.807 20.250 56.757 1.00 61.56 O ATOM 1218 CB ASP C 922 11.664 22.565 57.671 1.00 70.03 C ATOM 1219 CG ASP C 922 11.530 24.068 57.529 1.00 68.22 C ATOM 1220 OD1 ASP C 922 12.320 24.667 56.768 1.00 61.12 O ATOM 1221 OD2 ASP C 922 10.636 24.649 58.180 1.00 59.62 O1+ ATOM 0 H ASP C 922 10.231 22.102 55.743 1.00 58.20 H new ATOM 0 HA ASP C 922 12.818 22.384 55.964 1.00 61.56 H new ATOM 0 HB2 ASP C 922 10.816 22.195 57.962 1.00 70.03 H new ATOM 0 HB3 ASP C 922 12.313 22.366 58.364 1.00 70.03 H new ATOM 1222 N ASP C 923 11.669 19.538 56.827 1.00 59.06 N ATOM 1223 CA ASP C 923 12.012 18.154 57.143 1.00 57.87 C ATOM 1224 C ASP C 923 12.871 17.530 56.047 1.00 55.59 C ATOM 1225 O ASP C 923 13.810 16.784 56.330 1.00 54.88 O ATOM 1226 CB ASP C 923 10.745 17.322 57.356 1.00 38.69 C ATOM 1227 CG ASP C 923 9.877 17.858 58.475 1.00 39.98 C ATOM 1228 OD1 ASP C 923 10.410 18.554 59.363 1.00 47.26 O ATOM 1229 OD2 ASP C 923 8.660 17.582 58.468 1.00 54.97 O1+ ATOM 0 H ASP C 923 10.825 19.685 56.756 1.00 59.06 H new ATOM 0 HA ASP C 923 12.528 18.159 57.964 1.00 57.87 H new ATOM 0 HB2 ASP C 923 10.232 17.305 56.533 1.00 38.69 H new ATOM 0 HB3 ASP C 923 10.994 16.406 57.555 1.00 38.69 H new ATOM 1230 N VAL C 924 12.542 17.844 54.797 1.00 46.26 N ATOM 1231 CA VAL C 924 13.304 17.353 53.655 1.00 51.10 C ATOM 1232 C VAL C 924 14.728 17.896 53.680 1.00 49.42 C ATOM 1233 O VAL C 924 15.686 17.145 53.485 1.00 54.35 O ATOM 1234 CB VAL C 924 12.630 17.734 52.323 1.00 48.08 C ATOM 1235 CG1 VAL C 924 13.548 17.432 51.148 1.00 42.27 C ATOM 1236 CG2 VAL C 924 11.317 16.997 52.176 1.00 38.68 C ATOM 0 H VAL C 924 11.875 18.345 54.589 1.00 46.26 H new ATOM 0 HA VAL C 924 13.331 16.386 53.722 1.00 51.10 H new ATOM 0 HB VAL C 924 12.453 18.688 52.328 1.00 48.08 H new ATOM 0 HG11 VAL C 924 13.106 17.678 50.320 1.00 42.27 H new ATOM 0 HG12 VAL C 924 14.369 17.940 51.240 1.00 42.27 H new ATOM 0 HG13 VAL C 924 13.755 16.484 51.134 1.00 42.27 H new ATOM 0 HG21 VAL C 924 10.900 17.243 51.335 1.00 38.68 H new ATOM 0 HG22 VAL C 924 11.479 16.041 52.189 1.00 38.68 H new ATOM 0 HG23 VAL C 924 10.729 17.234 52.910 1.00 38.68 H new ATOM 1237 N TRP C 925 14.858 19.197 53.928 1.00 46.24 N ATOM 1238 CA TRP C 925 16.168 19.830 54.033 1.00 49.02 C ATOM 1239 C TRP C 925 17.020 19.105 55.063 1.00 56.90 C ATOM 1240 O TRP C 925 18.132 18.676 54.764 1.00 64.63 O ATOM 1241 CB TRP C 925 16.040 21.308 54.410 1.00 52.65 C ATOM 1242 CG TRP C 925 17.364 22.026 54.454 1.00 68.97 C ATOM 1243 CD1 TRP C 925 17.963 22.699 53.430 1.00 59.07 C ATOM 1244 CD2 TRP C 925 18.253 22.135 55.579 1.00 76.12 C ATOM 1245 NE1 TRP C 925 19.166 23.220 53.844 1.00 53.90 N ATOM 1246 CE2 TRP C 925 19.365 22.890 55.152 1.00 58.78 C ATOM 1247 CE3 TRP C 925 18.211 21.672 56.896 1.00 57.74 C ATOM 1248 CZ2 TRP C 925 20.429 23.190 56.008 1.00 58.47 C ATOM 1249 CZ3 TRP C 925 19.269 21.971 57.738 1.00 48.29 C ATOM 1250 CH2 TRP C 925 20.361 22.724 57.290 1.00 50.99 C ATOM 0 H TRP C 925 14.195 19.733 54.039 1.00 46.24 H new ATOM 0 HA TRP C 925 16.597 19.774 53.165 1.00 49.02 H new ATOM 0 HB2 TRP C 925 15.460 21.750 53.770 1.00 52.65 H new ATOM 0 HB3 TRP C 925 15.611 21.379 55.277 1.00 52.65 H new ATOM 0 HD1 TRP C 925 17.609 22.792 52.575 1.00 59.07 H new ATOM 0 HE1 TRP C 925 19.706 23.680 53.357 1.00 53.90 H new ATOM 0 HE3 TRP C 925 17.488 21.173 57.201 1.00 57.74 H new ATOM 0 HZ2 TRP C 925 21.157 23.689 55.715 1.00 58.47 H new ATOM 0 HZ3 TRP C 925 19.254 21.666 58.617 1.00 48.29 H new ATOM 0 HH2 TRP C 925 21.056 22.911 57.879 1.00 50.99 H new ATOM 1251 N ALA C 926 16.475 18.956 56.267 1.00 40.16 N ATOM 1252 CA ALA C 926 17.176 18.295 57.363 1.00 44.02 C ATOM 1253 C ALA C 926 17.554 16.864 56.999 1.00 45.45 C ATOM 1254 O ALA C 926 18.589 16.357 57.433 1.00 54.39 O ATOM 1255 CB ALA C 926 16.323 18.314 58.618 1.00 64.39 C ATOM 0 H ALA C 926 15.688 19.236 56.471 1.00 40.16 H new ATOM 0 HA ALA C 926 17.997 18.784 57.531 1.00 44.02 H new ATOM 0 HB1 ALA C 926 16.798 17.872 59.339 1.00 64.39 H new ATOM 0 HB2 ALA C 926 16.136 19.232 58.869 1.00 64.39 H new ATOM 0 HB3 ALA C 926 15.488 17.849 58.449 1.00 64.39 H new ATOM 1256 N PHE C 927 16.713 16.221 56.196 1.00 43.28 N ATOM 1257 CA PHE C 927 16.982 14.868 55.733 1.00 40.61 C ATOM 1258 C PHE C 927 18.119 14.843 54.712 1.00 50.62 C ATOM 1259 O PHE C 927 19.009 13.995 54.783 1.00 53.74 O ATOM 1260 CB PHE C 927 15.719 14.250 55.133 1.00 40.55 C ATOM 1261 CG PHE C 927 15.956 12.938 54.440 1.00 42.85 C ATOM 1262 CD1 PHE C 927 16.116 11.773 55.171 1.00 55.35 C ATOM 1263 CD2 PHE C 927 16.013 12.869 53.058 1.00 47.95 C ATOM 1264 CE1 PHE C 927 16.335 10.565 54.535 1.00 57.87 C ATOM 1265 CE2 PHE C 927 16.232 11.666 52.418 1.00 53.64 C ATOM 1266 CZ PHE C 927 16.393 10.512 53.157 1.00 45.64 C ATOM 0 H PHE C 927 15.975 16.555 55.907 1.00 43.28 H new ATOM 0 HA PHE C 927 17.258 14.342 56.500 1.00 40.61 H new ATOM 0 HB2 PHE C 927 15.066 14.120 55.838 1.00 40.55 H new ATOM 0 HB3 PHE C 927 15.332 14.875 54.500 1.00 40.55 H new ATOM 0 HD1 PHE C 927 16.076 11.803 56.100 1.00 55.35 H new ATOM 0 HD2 PHE C 927 15.902 13.643 52.555 1.00 47.95 H new ATOM 0 HE1 PHE C 927 16.443 9.789 55.035 1.00 57.87 H new ATOM 0 HE2 PHE C 927 16.271 11.633 51.489 1.00 53.64 H new ATOM 0 HZ PHE C 927 16.540 9.700 52.728 1.00 45.64 H new ATOM 1267 N ILE C 928 18.083 15.773 53.762 1.00 54.28 N ATOM 1268 CA ILE C 928 19.111 15.851 52.728 1.00 43.96 C ATOM 1269 C ILE C 928 20.410 16.435 53.283 1.00 48.16 C ATOM 1270 O ILE C 928 21.502 15.983 52.938 1.00 51.79 O ATOM 1271 CB ILE C 928 18.643 16.702 51.526 1.00 45.46 C ATOM 1272 CG1 ILE C 928 17.325 16.165 50.964 1.00 41.87 C ATOM 1273 CG2 ILE C 928 19.702 16.723 50.437 1.00 43.09 C ATOM 1274 CD1 ILE C 928 17.432 14.779 50.374 1.00 38.49 C ATOM 0 H ILE C 928 17.468 16.371 53.698 1.00 54.28 H new ATOM 0 HA ILE C 928 19.273 14.944 52.425 1.00 43.96 H new ATOM 0 HB ILE C 928 18.501 17.609 51.839 1.00 45.46 H new ATOM 0 HG12 ILE C 928 16.662 16.156 51.672 1.00 41.87 H new ATOM 0 HG13 ILE C 928 17.003 16.774 50.281 1.00 41.87 H new ATOM 0 HG21 ILE C 928 19.390 17.261 49.693 1.00 43.09 H new ATOM 0 HG22 ILE C 928 20.522 17.104 50.790 1.00 43.09 H new ATOM 0 HG23 ILE C 928 19.871 15.818 50.132 1.00 43.09 H new ATOM 0 HD11 ILE C 928 16.565 14.502 50.038 1.00 38.49 H new ATOM 0 HD12 ILE C 928 18.073 14.786 49.646 1.00 38.49 H new ATOM 0 HD13 ILE C 928 17.727 14.158 51.058 1.00 38.49 H new ATOM 1275 N HIS C 929 20.283 17.433 54.153 1.00 50.56 N ATOM 1276 CA HIS C 929 21.441 18.105 54.741 1.00 53.54 C ATOM 1277 C HIS C 929 22.259 17.163 55.620 1.00 54.63 C ATOM 1278 O HIS C 929 23.454 17.376 55.828 1.00 62.10 O ATOM 1279 CB HIS C 929 20.988 19.321 55.554 1.00 50.43 C ATOM 1280 CG HIS C 929 22.112 20.124 56.130 1.00 50.84 C ATOM 1281 ND1 HIS C 929 22.790 21.081 55.408 1.00 38.21 N ATOM 1282 CD2 HIS C 929 22.669 20.117 57.364 1.00 48.13 C ATOM 1283 CE1 HIS C 929 23.719 21.629 56.171 1.00 50.37 C ATOM 1284 NE2 HIS C 929 23.668 21.060 57.362 1.00 69.12 N ATOM 0 H HIS C 929 19.525 17.740 54.419 1.00 50.56 H new ATOM 0 HA HIS C 929 22.011 18.397 54.013 1.00 53.54 H new ATOM 0 HB2 HIS C 929 20.451 19.895 54.986 1.00 50.43 H new ATOM 0 HB3 HIS C 929 20.415 19.020 56.276 1.00 50.43 H new ATOM 0 HD2 HIS C 929 22.422 19.576 58.079 1.00 48.13 H new ATOM 0 HE1 HIS C 929 24.308 22.301 55.913 1.00 50.37 H new ATOM 0 HE2 HIS C 929 24.178 21.249 58.028 1.00 69.12 H new ATOM 1285 N SER C 930 21.612 16.121 56.131 1.00 55.38 N ATOM 1286 CA SER C 930 22.282 15.158 56.996 1.00 50.81 C ATOM 1287 C SER C 930 23.095 14.151 56.191 1.00 41.52 C ATOM 1288 O SER C 930 23.871 13.377 56.750 1.00 56.83 O ATOM 1289 CB SER C 930 21.263 14.422 57.867 1.00 41.26 C ATOM 1290 OG SER C 930 20.442 13.571 57.084 1.00 55.84 O ATOM 0 H SER C 930 20.781 15.953 55.988 1.00 55.38 H new ATOM 0 HA SER C 930 22.892 15.654 57.564 1.00 50.81 H new ATOM 0 HB2 SER C 930 21.726 13.899 58.540 1.00 41.26 H new ATOM 0 HB3 SER C 930 20.711 15.066 58.338 1.00 41.26 H new ATOM 0 HG SER C 930 20.159 13.993 56.415 1.00 55.84 H new ATOM 1291 N LEU C 931 22.913 14.163 54.876 1.00 46.00 N ATOM 1292 CA LEU C 931 23.614 13.232 54.002 1.00 38.88 C ATOM 1293 C LEU C 931 24.992 13.767 53.622 1.00 56.21 C ATOM 1294 O LEU C 931 25.171 14.976 53.473 1.00 59.39 O ATOM 1295 CB LEU C 931 22.782 12.951 52.750 1.00 39.65 C ATOM 1296 CG LEU C 931 21.427 12.293 53.014 1.00 54.68 C ATOM 1297 CD1 LEU C 931 20.708 11.990 51.706 1.00 48.49 C ATOM 1298 CD2 LEU C 931 21.598 11.031 53.848 1.00 46.04 C ATOM 0 H LEU C 931 22.385 14.706 54.468 1.00 46.00 H new ATOM 0 HA LEU C 931 23.740 12.400 54.485 1.00 38.88 H new ATOM 0 HB2 LEU C 931 22.635 13.787 52.280 1.00 39.65 H new ATOM 0 HB3 LEU C 931 23.295 12.379 52.158 1.00 39.65 H new ATOM 0 HG LEU C 931 20.879 12.915 53.517 1.00 54.68 H new ATOM 0 HD11 LEU C 931 19.853 11.574 51.896 1.00 48.49 H new ATOM 0 HD12 LEU C 931 20.564 12.815 51.217 1.00 48.49 H new ATOM 0 HD13 LEU C 931 21.249 11.388 51.171 1.00 48.49 H new ATOM 0 HD21 LEU C 931 20.730 10.627 54.006 1.00 46.04 H new ATOM 0 HD22 LEU C 931 22.165 10.403 53.373 1.00 46.04 H new ATOM 0 HD23 LEU C 931 22.008 11.257 54.697 1.00 46.04 H new ATOM 1299 N PRO C 932 25.975 12.862 53.475 1.00 65.78 N ATOM 1300 CA PRO C 932 27.364 13.222 53.161 1.00 61.20 C ATOM 1301 C PRO C 932 27.515 13.960 51.834 1.00 46.91 C ATOM 1302 O PRO C 932 27.156 13.425 50.786 1.00 48.06 O ATOM 1303 CB PRO C 932 28.073 11.863 53.100 1.00 62.93 C ATOM 1304 CG PRO C 932 27.226 10.953 53.915 1.00 67.20 C ATOM 1305 CD PRO C 932 25.820 11.411 53.679 1.00 64.90 C ATOM 0 HA PRO C 932 27.728 13.835 53.819 1.00 61.20 H new ATOM 0 HB2 PRO C 932 28.150 11.547 52.186 1.00 62.93 H new ATOM 0 HB3 PRO C 932 28.973 11.920 53.457 1.00 62.93 H new ATOM 0 HG2 PRO C 932 27.344 10.029 53.645 1.00 67.20 H new ATOM 0 HG3 PRO C 932 27.459 11.006 54.855 1.00 67.20 H new ATOM 0 HD2 PRO C 932 25.427 10.979 52.905 1.00 64.90 H new ATOM 0 HD3 PRO C 932 25.246 11.214 54.436 1.00 64.90 H new ATOM 1306 N GLY C 933 28.045 15.178 51.889 1.00 51.02 N ATOM 1307 CA GLY C 933 28.312 15.958 50.695 1.00 40.68 C ATOM 1308 C GLY C 933 27.072 16.453 49.976 1.00 44.90 C ATOM 1309 O GLY C 933 27.139 16.838 48.809 1.00 45.59 O ATOM 0 H GLY C 933 28.259 15.573 52.623 1.00 51.02 H new ATOM 0 HA2 GLY C 933 28.858 16.722 50.937 1.00 40.68 H new ATOM 0 HA3 GLY C 933 28.835 15.419 50.081 1.00 40.68 H new ATOM 1310 N CYS C 934 25.940 16.449 50.673 1.00 38.58 N ATOM 1311 CA CYS C 934 24.680 16.889 50.084 1.00 40.59 C ATOM 1312 C CYS C 934 24.132 18.122 50.797 1.00 47.40 C ATOM 1313 O CYS C 934 22.948 18.437 50.688 1.00 46.39 O ATOM 1314 CB CYS C 934 23.647 15.762 50.127 1.00 43.71 C ATOM 1315 SG CYS C 934 24.158 14.236 49.314 1.00 42.18 S ATOM 0 H CYS C 934 25.880 16.194 51.492 1.00 38.58 H new ATOM 0 HA CYS C 934 24.856 17.126 49.160 1.00 40.59 H new ATOM 0 HB2 CYS C 934 23.439 15.566 51.054 1.00 43.71 H new ATOM 0 HB3 CYS C 934 22.828 16.075 49.713 1.00 43.71 H new ATOM 0 HG CYS C 934 25.199 13.863 49.780 1.00 42.18 H new ATOM 1316 N GLN C 935 25.000 18.824 51.518 1.00 55.08 N ATOM 1317 CA GLN C 935 24.573 19.953 52.337 1.00 50.95 C ATOM 1318 C GLN C 935 24.160 21.170 51.511 1.00 61.00 C ATOM 1319 O GLN C 935 23.331 21.968 51.947 1.00 55.08 O ATOM 1320 CB GLN C 935 25.680 20.334 53.321 1.00 69.94 C ATOM 1321 CG GLN C 935 25.731 19.439 54.553 1.00 67.17 C ATOM 1322 CD GLN C 935 27.092 18.815 54.780 1.00 70.82 C ATOM 1323 OE1 GLN C 935 27.798 19.171 55.724 1.00 87.96 O ATOM 1324 NE2 GLN C 935 27.465 17.872 53.922 1.00 66.65 N ATOM 0 H GLN C 935 25.844 18.662 51.547 1.00 55.08 H new ATOM 0 HA GLN C 935 23.784 19.666 52.822 1.00 50.95 H new ATOM 0 HB2 GLN C 935 26.536 20.295 52.866 1.00 69.94 H new ATOM 0 HB3 GLN C 935 25.551 21.253 53.603 1.00 69.94 H new ATOM 0 HG2 GLN C 935 25.486 19.959 55.334 1.00 67.17 H new ATOM 0 HG3 GLN C 935 25.070 18.735 54.462 1.00 67.17 H new ATOM 0 HE21 GLN C 935 26.945 17.650 53.274 1.00 66.65 H new ATOM 0 HE22 GLN C 935 28.227 17.484 54.014 1.00 66.65 H new ATOM 1325 N ASP C 936 24.736 21.314 50.322 1.00 66.42 N ATOM 1326 CA ASP C 936 24.348 22.397 49.424 1.00 63.44 C ATOM 1327 C ASP C 936 23.071 22.044 48.674 1.00 65.42 C ATOM 1328 O ASP C 936 22.246 22.909 48.383 1.00 62.39 O ATOM 1329 CB ASP C 936 25.465 22.710 48.427 1.00 49.17 C ATOM 1330 CG ASP C 936 26.519 23.634 49.001 1.00 65.84 C ATOM 1331 OD1 ASP C 936 26.185 24.437 49.898 1.00 71.06 O ATOM 1332 OD2 ASP C 936 27.681 23.561 48.548 1.00 66.93 O1+ ATOM 0 H ASP C 936 25.352 20.797 50.017 1.00 66.42 H new ATOM 0 HA ASP C 936 24.187 23.185 49.966 1.00 63.44 H new ATOM 0 HB2 ASP C 936 25.885 21.882 48.147 1.00 49.17 H new ATOM 0 HB3 ASP C 936 25.081 23.116 47.634 1.00 49.17 H new ATOM 1333 N ILE C 937 22.919 20.761 48.367 1.00 64.60 N ATOM 1334 CA ILE C 937 21.768 20.271 47.619 1.00 51.04 C ATOM 1335 C ILE C 937 20.481 20.412 48.426 1.00 52.18 C ATOM 1336 O ILE C 937 19.420 20.707 47.873 1.00 50.14 O ATOM 1337 CB ILE C 937 21.970 18.803 47.208 1.00 63.71 C ATOM 1338 CG1 ILE C 937 23.222 18.674 46.340 1.00 61.04 C ATOM 1339 CG2 ILE C 937 20.760 18.275 46.465 1.00 53.65 C ATOM 1340 CD1 ILE C 937 23.426 17.300 45.776 1.00 54.54 C ATOM 0 H ILE C 937 23.482 20.149 48.587 1.00 64.60 H new ATOM 0 HA ILE C 937 21.688 20.814 46.819 1.00 51.04 H new ATOM 0 HB ILE C 937 22.083 18.273 48.012 1.00 63.71 H new ATOM 0 HG12 ILE C 937 23.166 19.310 45.609 1.00 61.04 H new ATOM 0 HG13 ILE C 937 23.998 18.917 46.868 1.00 61.04 H new ATOM 0 HG21 ILE C 937 20.911 17.350 46.217 1.00 53.65 H new ATOM 0 HG22 ILE C 937 19.978 18.333 47.037 1.00 53.65 H new ATOM 0 HG23 ILE C 937 20.615 18.804 45.665 1.00 53.65 H new ATOM 0 HD11 ILE C 937 24.233 17.287 45.238 1.00 54.54 H new ATOM 0 HD12 ILE C 937 23.511 16.662 46.501 1.00 54.54 H new ATOM 0 HD13 ILE C 937 22.666 17.061 45.223 1.00 54.54 H new ATOM 1341 N ALA C 938 20.584 20.206 49.736 1.00 54.50 N ATOM 1342 CA ALA C 938 19.448 20.376 50.633 1.00 43.86 C ATOM 1343 C ALA C 938 18.892 21.788 50.526 1.00 50.64 C ATOM 1344 O ALA C 938 17.678 21.986 50.508 1.00 50.22 O ATOM 1345 CB ALA C 938 19.852 20.074 52.064 1.00 43.35 C ATOM 0 H ALA C 938 21.311 19.965 50.127 1.00 54.50 H new ATOM 0 HA ALA C 938 18.754 19.751 50.371 1.00 43.86 H new ATOM 0 HB1 ALA C 938 19.087 20.191 52.648 1.00 43.35 H new ATOM 0 HB2 ALA C 938 20.168 19.159 52.125 1.00 43.35 H new ATOM 0 HB3 ALA C 938 20.561 20.679 52.335 1.00 43.35 H new ATOM 1346 N ASP C 939 19.792 22.763 50.451 1.00 54.04 N ATOM 1347 CA ASP C 939 19.410 24.162 50.305 1.00 49.57 C ATOM 1348 C ASP C 939 18.646 24.381 49.005 1.00 47.67 C ATOM 1349 O ASP C 939 17.719 25.186 48.948 1.00 50.77 O ATOM 1350 CB ASP C 939 20.645 25.062 50.344 1.00 45.38 C ATOM 1351 CG ASP C 939 21.431 24.916 51.630 1.00 59.58 C ATOM 1352 OD1 ASP C 939 20.805 24.889 52.711 1.00 72.15 O ATOM 1353 OD2 ASP C 939 22.676 24.822 51.559 1.00 58.62 O1+ ATOM 0 H ASP C 939 20.641 22.632 50.483 1.00 54.04 H new ATOM 0 HA ASP C 939 18.830 24.394 51.047 1.00 49.57 H new ATOM 0 HB2 ASP C 939 21.220 24.850 49.592 1.00 45.38 H new ATOM 0 HB3 ASP C 939 20.371 25.987 50.240 1.00 45.38 H new ATOM 1354 N GLU C 940 19.043 23.658 47.963 1.00 46.86 N ATOM 1355 CA GLU C 940 18.347 23.723 46.685 1.00 61.91 C ATOM 1356 C GLU C 940 16.977 23.071 46.808 1.00 49.63 C ATOM 1357 O GLU C 940 15.978 23.616 46.342 1.00 54.44 O ATOM 1358 CB GLU C 940 19.162 23.044 45.585 1.00 69.09 C ATOM 1359 CG GLU C 940 18.597 23.248 44.188 1.00 78.32 C ATOM 1360 CD GLU C 940 18.617 24.704 43.764 1.00 85.38 C ATOM 1361 OE1 GLU C 940 19.668 25.359 43.938 1.00 89.82 O ATOM 1362 OE2 GLU C 940 17.581 25.195 43.267 1.00 69.20 O1+ ATOM 0 H GLU C 940 19.716 23.122 47.976 1.00 46.86 H new ATOM 0 HA GLU C 940 18.234 24.655 46.443 1.00 61.91 H new ATOM 0 HB2 GLU C 940 20.070 23.384 45.610 1.00 69.09 H new ATOM 0 HB3 GLU C 940 19.210 22.093 45.770 1.00 69.09 H new ATOM 0 HG2 GLU C 940 19.110 22.722 43.554 1.00 78.32 H new ATOM 0 HG3 GLU C 940 17.685 22.918 44.159 1.00 78.32 H new ATOM 1363 N PHE C 941 16.945 21.899 47.438 1.00 46.58 N ATOM 1364 CA PHE C 941 15.700 21.190 47.712 1.00 49.73 C ATOM 1365 C PHE C 941 14.718 22.076 48.462 1.00 41.62 C ATOM 1366 O PHE C 941 13.526 22.096 48.160 1.00 40.64 O ATOM 1367 CB PHE C 941 15.976 19.922 48.520 1.00 46.08 C ATOM 1368 CG PHE C 941 16.185 18.697 47.679 1.00 39.35 C ATOM 1369 CD1 PHE C 941 17.205 18.644 46.745 1.00 42.51 C ATOM 1370 CD2 PHE C 941 15.365 17.593 47.832 1.00 41.38 C ATOM 1371 CE1 PHE C 941 17.396 17.514 45.972 1.00 49.41 C ATOM 1372 CE2 PHE C 941 15.553 16.460 47.064 1.00 41.27 C ATOM 1373 CZ PHE C 941 16.571 16.421 46.134 1.00 38.78 C ATOM 0 H PHE C 941 17.648 21.492 47.719 1.00 46.58 H new ATOM 0 HA PHE C 941 15.304 20.946 46.861 1.00 49.73 H new ATOM 0 HB2 PHE C 941 16.763 20.064 49.069 1.00 46.08 H new ATOM 0 HB3 PHE C 941 15.233 19.766 49.124 1.00 46.08 H new ATOM 0 HD1 PHE C 941 17.768 19.376 46.636 1.00 42.51 H new ATOM 0 HD2 PHE C 941 14.679 17.614 48.459 1.00 41.38 H new ATOM 0 HE1 PHE C 941 18.081 17.491 45.343 1.00 49.41 H new ATOM 0 HE2 PHE C 941 14.994 15.725 47.174 1.00 41.27 H new ATOM 0 HZ PHE C 941 16.701 15.659 45.617 1.00 38.78 H new ATOM 1374 N ARG C 942 15.235 22.809 49.442 1.00 47.41 N ATOM 1375 CA ARG C 942 14.422 23.710 50.246 1.00 60.23 C ATOM 1376 C ARG C 942 13.927 24.889 49.414 1.00 61.40 C ATOM 1377 O ARG C 942 12.777 25.309 49.539 1.00 57.84 O ATOM 1378 CB ARG C 942 15.218 24.209 51.454 1.00 57.34 C ATOM 1379 CG ARG C 942 14.457 25.166 52.355 1.00 53.47 C ATOM 1380 CD ARG C 942 15.303 25.573 53.550 1.00 63.54 C ATOM 1381 NE ARG C 942 16.590 26.133 53.144 1.00 82.25 N ATOM 1382 CZ ARG C 942 17.541 26.516 53.989 1.00 94.58 C ATOM 1383 NH1 ARG C 942 17.352 26.399 55.296 1.00 98.74 N1+ ATOM 1384 NH2 ARG C 942 18.680 27.014 53.526 1.00 61.90 N ATOM 0 H ARG C 942 16.067 22.797 49.659 1.00 47.41 H new ATOM 0 HA ARG C 942 13.648 23.218 50.562 1.00 60.23 H new ATOM 0 HB2 ARG C 942 15.502 23.444 51.979 1.00 57.34 H new ATOM 0 HB3 ARG C 942 16.022 24.650 51.138 1.00 57.34 H new ATOM 0 HG2 ARG C 942 14.200 25.955 51.852 1.00 53.47 H new ATOM 0 HG3 ARG C 942 13.638 24.746 52.662 1.00 53.47 H new ATOM 0 HD2 ARG C 942 14.820 26.226 54.080 1.00 63.54 H new ATOM 0 HD3 ARG C 942 15.452 24.801 54.118 1.00 63.54 H new ATOM 0 HE ARG C 942 16.742 26.221 52.302 1.00 82.25 H new ATOM 0 HH11 ARG C 942 16.614 26.075 55.596 1.00 98.74 H new ATOM 0 HH12 ARG C 942 17.967 26.647 55.843 1.00 98.74 H new ATOM 0 HH21 ARG C 942 18.803 27.089 52.678 1.00 61.90 H new ATOM 0 HH22 ARG C 942 19.295 27.262 54.074 1.00 61.90 H new ATOM 1385 N ALA C 943 14.804 25.411 48.562 1.00 48.29 N ATOM 1386 CA ALA C 943 14.477 26.557 47.725 1.00 39.72 C ATOM 1387 C ALA C 943 13.403 26.211 46.699 1.00 53.88 C ATOM 1388 O ALA C 943 12.597 27.062 46.322 1.00 65.38 O ATOM 1389 CB ALA C 943 15.726 27.074 47.027 1.00 53.48 C ATOM 0 H ALA C 943 15.603 25.111 48.454 1.00 48.29 H new ATOM 0 HA ALA C 943 14.124 27.254 48.301 1.00 39.72 H new ATOM 0 HB1 ALA C 943 15.495 27.836 46.473 1.00 53.48 H new ATOM 0 HB2 ALA C 943 16.380 27.343 47.691 1.00 53.48 H new ATOM 0 HB3 ALA C 943 16.100 26.373 46.471 1.00 53.48 H new ATOM 1390 N GLN C 944 13.395 24.959 46.250 1.00 49.77 N ATOM 1391 CA GLN C 944 12.410 24.502 45.275 1.00 51.57 C ATOM 1392 C GLN C 944 11.127 24.036 45.959 1.00 46.76 C ATOM 1393 O GLN C 944 10.264 23.432 45.321 1.00 52.08 O ATOM 1394 CB GLN C 944 12.983 23.370 44.417 1.00 51.86 C ATOM 1395 CG GLN C 944 14.272 23.712 43.678 1.00 56.59 C ATOM 1396 CD GLN C 944 14.052 24.580 42.452 1.00 65.61 C ATOM 1397 OE1 GLN C 944 12.921 24.926 42.111 1.00 65.73 O ATOM 1398 NE2 GLN C 944 15.141 24.931 41.777 1.00 66.72 N ATOM 0 H GLN C 944 13.955 24.356 46.499 1.00 49.77 H new ATOM 0 HA GLN C 944 12.195 25.255 44.702 1.00 51.57 H new ATOM 0 HB2 GLN C 944 13.146 22.602 44.986 1.00 51.86 H new ATOM 0 HB3 GLN C 944 12.314 23.104 43.767 1.00 51.86 H new ATOM 0 HG2 GLN C 944 14.874 24.169 44.286 1.00 56.59 H new ATOM 0 HG3 GLN C 944 14.711 22.890 43.409 1.00 56.59 H new ATOM 0 HE21 GLN C 944 15.916 24.671 42.045 1.00 66.72 H new ATOM 0 HE22 GLN C 944 15.071 25.419 41.072 1.00 66.72 H new ATOM 1399 N GLU C 945 11.019 24.318 47.257 1.00 47.49 N ATOM 1400 CA GLU C 945 9.851 23.956 48.063 1.00 44.56 C ATOM 1401 C GLU C 945 9.521 22.469 47.974 1.00 45.95 C ATOM 1402 O GLU C 945 8.352 22.085 47.920 1.00 31.69 O ATOM 1403 CB GLU C 945 8.633 24.779 47.642 1.00 50.89 C ATOM 1404 CG GLU C 945 8.812 26.281 47.789 1.00 55.25 C ATOM 1405 CD GLU C 945 7.582 27.056 47.357 1.00 61.98 C ATOM 1406 OE1 GLU C 945 6.458 26.647 47.725 1.00 62.97 O ATOM 1407 OE2 GLU C 945 7.739 28.069 46.643 1.00 77.63 O1+ ATOM 0 H GLU C 945 11.630 24.730 47.701 1.00 47.49 H new ATOM 0 HA GLU C 945 10.076 24.153 48.986 1.00 44.56 H new ATOM 0 HB2 GLU C 945 8.424 24.578 46.716 1.00 50.89 H new ATOM 0 HB3 GLU C 945 7.869 24.501 48.172 1.00 50.89 H new ATOM 0 HG2 GLU C 945 9.015 26.491 48.714 1.00 55.25 H new ATOM 0 HG3 GLU C 945 9.573 26.567 47.260 1.00 55.25 H new ATOM 1408 N ILE C 946 10.555 21.637 47.948 1.00 41.62 N ATOM 1409 CA ILE C 946 10.364 20.195 47.874 1.00 41.27 C ATOM 1410 C ILE C 946 10.045 19.631 49.252 1.00 35.45 C ATOM 1411 O ILE C 946 10.931 19.493 50.095 1.00 34.63 O ATOM 1412 CB ILE C 946 11.607 19.484 47.304 1.00 48.29 C ATOM 1413 CG1 ILE C 946 11.943 20.032 45.915 1.00 45.79 C ATOM 1414 CG2 ILE C 946 11.385 17.978 47.247 1.00 41.79 C ATOM 1415 CD1 ILE C 946 13.155 19.385 45.281 1.00 37.28 C ATOM 0 H ILE C 946 11.377 21.888 47.972 1.00 41.62 H new ATOM 0 HA ILE C 946 9.619 20.033 47.274 1.00 41.27 H new ATOM 0 HB ILE C 946 12.358 19.657 47.893 1.00 48.29 H new ATOM 0 HG12 ILE C 946 11.178 19.906 45.333 1.00 45.79 H new ATOM 0 HG13 ILE C 946 12.094 20.988 45.981 1.00 45.79 H new ATOM 0 HG21 ILE C 946 12.176 17.548 46.886 1.00 41.79 H new ATOM 0 HG22 ILE C 946 11.213 17.642 48.141 1.00 41.79 H new ATOM 0 HG23 ILE C 946 10.624 17.784 46.678 1.00 41.79 H new ATOM 0 HD11 ILE C 946 13.311 19.776 44.407 1.00 37.28 H new ATOM 0 HD12 ILE C 946 13.931 19.531 45.844 1.00 37.28 H new ATOM 0 HD13 ILE C 946 13.000 18.432 45.185 1.00 37.28 H new ATOM 1416 N ASP C 947 8.771 19.325 49.479 1.00 39.70 N ATOM 1417 CA ASP C 947 8.343 18.710 50.728 1.00 41.44 C ATOM 1418 C ASP C 947 8.352 17.193 50.583 1.00 39.98 C ATOM 1419 O ASP C 947 8.749 16.668 49.542 1.00 39.10 O ATOM 1420 CB ASP C 947 6.954 19.206 51.139 1.00 44.78 C ATOM 1421 CG ASP C 947 5.893 18.903 50.098 1.00 38.87 C ATOM 1422 OD1 ASP C 947 6.255 18.705 48.919 1.00 33.52 O ATOM 1423 OD2 ASP C 947 4.696 18.869 50.457 1.00 41.82 O1+ ATOM 0 H ASP C 947 8.136 19.467 48.917 1.00 39.70 H new ATOM 0 HA ASP C 947 8.964 18.965 51.428 1.00 41.44 H new ATOM 0 HB2 ASP C 947 6.703 18.794 51.980 1.00 44.78 H new ATOM 0 HB3 ASP C 947 6.988 20.163 51.291 1.00 44.78 H new ATOM 1424 N GLY C 948 7.921 16.495 51.629 1.00 41.48 N ATOM 1425 CA GLY C 948 7.944 15.044 51.641 1.00 39.74 C ATOM 1426 C GLY C 948 7.135 14.424 50.522 1.00 47.75 C ATOM 1427 O GLY C 948 7.532 13.413 49.944 1.00 53.26 O ATOM 0 H GLY C 948 7.609 16.851 52.347 1.00 41.48 H new ATOM 0 HA2 GLY C 948 8.863 14.741 51.574 1.00 39.74 H new ATOM 0 HA3 GLY C 948 7.602 14.728 52.492 1.00 39.74 H new ATOM 1428 N GLN C 949 5.997 15.037 50.218 1.00 48.16 N ATOM 1429 CA GLN C 949 5.132 14.567 49.146 1.00 40.18 C ATOM 1430 C GLN C 949 5.852 14.629 47.804 1.00 37.06 C ATOM 1431 O GLN C 949 5.797 13.686 47.015 1.00 38.71 O ATOM 1432 CB GLN C 949 3.848 15.395 49.103 1.00 52.97 C ATOM 1433 CG GLN C 949 2.843 14.950 48.059 1.00 44.32 C ATOM 1434 CD GLN C 949 1.572 15.774 48.097 1.00 62.16 C ATOM 1435 OE1 GLN C 949 1.387 16.609 48.984 1.00 65.31 O ATOM 1436 NE2 GLN C 949 0.689 15.545 47.133 1.00 66.77 N ATOM 0 H GLN C 949 5.706 15.735 50.627 1.00 48.16 H new ATOM 0 HA GLN C 949 4.900 13.642 49.322 1.00 40.18 H new ATOM 0 HB2 GLN C 949 3.426 15.361 49.976 1.00 52.97 H new ATOM 0 HB3 GLN C 949 4.081 16.322 48.936 1.00 52.97 H new ATOM 0 HG2 GLN C 949 3.243 15.017 47.178 1.00 44.32 H new ATOM 0 HG3 GLN C 949 2.625 14.016 48.201 1.00 44.32 H new ATOM 0 HE21 GLN C 949 0.854 14.954 46.531 1.00 66.77 H new ATOM 0 HE22 GLN C 949 -0.048 15.988 47.111 1.00 66.77 H new ATOM 1437 N ALA C 950 6.535 15.743 47.558 1.00 40.17 N ATOM 1438 CA ALA C 950 7.263 15.941 46.311 1.00 33.78 C ATOM 1439 C ALA C 950 8.546 15.121 46.282 1.00 36.24 C ATOM 1440 O ALA C 950 9.002 14.701 45.219 1.00 40.02 O ATOM 1441 CB ALA C 950 7.574 17.415 46.109 1.00 35.41 C ATOM 0 H ALA C 950 6.589 16.402 48.107 1.00 40.17 H new ATOM 0 HA ALA C 950 6.698 15.636 45.584 1.00 33.78 H new ATOM 0 HB1 ALA C 950 8.058 17.533 45.277 1.00 35.41 H new ATOM 0 HB2 ALA C 950 6.746 17.919 46.075 1.00 35.41 H new ATOM 0 HB3 ALA C 950 8.117 17.735 46.846 1.00 35.41 H new ATOM 1442 N LEU C 951 9.124 14.901 47.458 1.00 34.43 N ATOM 1443 CA LEU C 951 10.352 14.125 47.579 1.00 36.49 C ATOM 1444 C LEU C 951 10.138 12.686 47.120 1.00 32.53 C ATOM 1445 O LEU C 951 11.053 12.043 46.609 1.00 39.26 O ATOM 1446 CB LEU C 951 10.855 14.154 49.024 1.00 34.35 C ATOM 1447 CG LEU C 951 12.197 13.487 49.333 1.00 49.04 C ATOM 1448 CD1 LEU C 951 13.317 14.132 48.536 1.00 27.42 C ATOM 1449 CD2 LEU C 951 12.495 13.551 50.823 1.00 48.85 C ATOM 0 H LEU C 951 8.817 15.196 48.205 1.00 34.43 H new ATOM 0 HA LEU C 951 11.022 14.527 47.005 1.00 36.49 H new ATOM 0 HB2 LEU C 951 10.915 15.082 49.299 1.00 34.35 H new ATOM 0 HB3 LEU C 951 10.180 13.736 49.582 1.00 34.35 H new ATOM 0 HG LEU C 951 12.139 12.555 49.072 1.00 49.04 H new ATOM 0 HD11 LEU C 951 14.157 13.695 48.746 1.00 27.42 H new ATOM 0 HD12 LEU C 951 13.134 14.040 47.588 1.00 27.42 H new ATOM 0 HD13 LEU C 951 13.376 15.073 48.764 1.00 27.42 H new ATOM 0 HD21 LEU C 951 13.348 13.124 51.001 1.00 48.85 H new ATOM 0 HD22 LEU C 951 12.532 14.478 51.106 1.00 48.85 H new ATOM 0 HD23 LEU C 951 11.795 13.091 51.313 1.00 48.85 H new ATOM 1450 N LEU C 952 8.918 12.191 47.297 1.00 38.13 N ATOM 1451 CA LEU C 952 8.577 10.825 46.917 1.00 42.82 C ATOM 1452 C LEU C 952 8.179 10.731 45.446 1.00 42.05 C ATOM 1453 O LEU C 952 8.027 9.636 44.904 1.00 43.32 O ATOM 1454 CB LEU C 952 7.445 10.297 47.799 1.00 43.38 C ATOM 1455 CG LEU C 952 7.731 10.247 49.301 1.00 35.32 C ATOM 1456 CD1 LEU C 952 6.478 9.876 50.080 1.00 54.63 C ATOM 1457 CD2 LEU C 952 8.856 9.268 49.595 1.00 49.89 C ATOM 0 H LEU C 952 8.266 12.636 47.640 1.00 38.13 H new ATOM 0 HA LEU C 952 9.368 10.279 47.047 1.00 42.82 H new ATOM 0 HB2 LEU C 952 6.662 10.851 47.655 1.00 43.38 H new ATOM 0 HB3 LEU C 952 7.218 9.402 47.501 1.00 43.38 H new ATOM 0 HG LEU C 952 8.010 11.131 49.587 1.00 35.32 H new ATOM 0 HD11 LEU C 952 6.682 9.850 51.028 1.00 54.63 H new ATOM 0 HD12 LEU C 952 5.787 10.537 49.916 1.00 54.63 H new ATOM 0 HD13 LEU C 952 6.165 9.004 49.793 1.00 54.63 H new ATOM 0 HD21 LEU C 952 9.026 9.247 50.550 1.00 49.89 H new ATOM 0 HD22 LEU C 952 8.602 8.382 49.293 1.00 49.89 H new ATOM 0 HD23 LEU C 952 9.660 9.549 49.130 1.00 49.89 H new ATOM 1458 N LEU C 953 8.012 11.883 44.805 1.00 42.38 N ATOM 1459 CA LEU C 953 7.609 11.927 43.403 1.00 47.59 C ATOM 1460 C LEU C 953 8.813 12.065 42.478 1.00 47.22 C ATOM 1461 O LEU C 953 8.692 11.920 41.261 1.00 38.05 O ATOM 1462 CB LEU C 953 6.632 13.080 43.167 1.00 37.83 C ATOM 1463 CG LEU C 953 5.262 12.934 43.829 1.00 39.88 C ATOM 1464 CD1 LEU C 953 4.458 14.216 43.695 1.00 44.39 C ATOM 1465 CD2 LEU C 953 4.502 11.759 43.230 1.00 44.59 C ATOM 0 H LEU C 953 8.128 12.655 45.166 1.00 42.38 H new ATOM 0 HA LEU C 953 7.169 11.088 43.197 1.00 47.59 H new ATOM 0 HB2 LEU C 953 7.041 13.899 43.486 1.00 37.83 H new ATOM 0 HB3 LEU C 953 6.502 13.181 42.211 1.00 37.83 H new ATOM 0 HG LEU C 953 5.399 12.761 44.774 1.00 39.88 H new ATOM 0 HD11 LEU C 953 3.594 14.102 44.121 1.00 44.39 H new ATOM 0 HD12 LEU C 953 4.936 14.944 44.123 1.00 44.39 H new ATOM 0 HD13 LEU C 953 4.331 14.422 42.756 1.00 44.39 H new ATOM 0 HD21 LEU C 953 3.636 11.680 43.660 1.00 44.59 H new ATOM 0 HD22 LEU C 953 4.378 11.905 42.279 1.00 44.59 H new ATOM 0 HD23 LEU C 953 5.007 10.942 43.368 1.00 44.59 H new ATOM 1466 N LEU C 954 9.972 12.349 43.066 1.00 38.84 N ATOM 1467 CA LEU C 954 11.212 12.491 42.311 1.00 41.94 C ATOM 1468 C LEU C 954 11.599 11.194 41.610 1.00 50.00 C ATOM 1469 O LEU C 954 11.519 10.115 42.194 1.00 54.62 O ATOM 1470 CB LEU C 954 12.345 12.943 43.234 1.00 44.86 C ATOM 1471 CG LEU C 954 12.373 14.429 43.596 1.00 50.15 C ATOM 1472 CD1 LEU C 954 13.254 14.673 44.809 1.00 45.03 C ATOM 1473 CD2 LEU C 954 12.866 15.239 42.409 1.00 40.04 C ATOM 0 H LEU C 954 10.061 12.465 43.914 1.00 38.84 H new ATOM 0 HA LEU C 954 11.063 13.164 41.629 1.00 41.94 H new ATOM 0 HB2 LEU C 954 12.291 12.431 44.056 1.00 44.86 H new ATOM 0 HB3 LEU C 954 13.189 12.716 42.813 1.00 44.86 H new ATOM 0 HG LEU C 954 11.472 14.711 43.819 1.00 50.15 H new ATOM 0 HD11 LEU C 954 13.258 15.619 45.021 1.00 45.03 H new ATOM 0 HD12 LEU C 954 12.909 14.174 45.566 1.00 45.03 H new ATOM 0 HD13 LEU C 954 14.159 14.382 44.616 1.00 45.03 H new ATOM 0 HD21 LEU C 954 12.882 16.180 42.643 1.00 40.04 H new ATOM 0 HD22 LEU C 954 13.761 14.951 42.169 1.00 40.04 H new ATOM 0 HD23 LEU C 954 12.271 15.104 41.655 1.00 40.04 H new ATOM 1474 N LYS C 955 12.015 11.310 40.353 1.00 48.09 N ATOM 1475 CA LYS C 955 12.452 10.157 39.576 1.00 55.52 C ATOM 1476 C LYS C 955 13.969 10.140 39.449 1.00 53.34 C ATOM 1477 O LYS C 955 14.639 11.130 39.748 1.00 49.30 O ATOM 1478 CB LYS C 955 11.811 10.160 38.185 1.00 39.66 C ATOM 1479 CG LYS C 955 10.289 10.199 38.187 1.00 43.39 C ATOM 1480 CD LYS C 955 9.734 9.971 36.789 1.00 41.99 C ATOM 1481 CE LYS C 955 8.233 10.213 36.734 1.00 58.91 C ATOM 1482 NZ LYS C 955 7.888 11.652 36.918 1.00 61.99 N1+ ATOM 0 H LYS C 955 12.052 12.057 39.928 1.00 48.09 H new ATOM 0 HA LYS C 955 12.167 9.357 40.045 1.00 55.52 H new ATOM 0 HB2 LYS C 955 12.142 10.927 37.691 1.00 39.66 H new ATOM 0 HB3 LYS C 955 12.102 9.368 37.706 1.00 39.66 H new ATOM 0 HG2 LYS C 955 9.946 9.520 38.789 1.00 43.39 H new ATOM 0 HG3 LYS C 955 9.985 11.057 38.523 1.00 43.39 H new ATOM 0 HD2 LYS C 955 10.181 10.562 36.163 1.00 41.99 H new ATOM 0 HD3 LYS C 955 9.926 9.063 36.508 1.00 41.99 H new ATOM 0 HE2 LYS C 955 7.888 9.906 35.881 1.00 58.91 H new ATOM 0 HE3 LYS C 955 7.797 9.687 37.422 1.00 58.91 H new ATOM 0 HZ1 LYS C 955 7.033 11.782 36.709 1.00 61.99 H new ATOM 0 HZ2 LYS C 955 8.024 11.884 37.766 1.00 61.99 H new ATOM 0 HZ3 LYS C 955 8.401 12.151 36.389 1.00 61.99 H new ATOM 1483 N GLU C 956 14.505 9.010 39.001 1.00 48.32 N ATOM 1484 CA GLU C 956 15.944 8.854 38.850 1.00 55.95 C ATOM 1485 C GLU C 956 16.493 9.848 37.830 1.00 51.24 C ATOM 1486 O GLU C 956 17.573 10.406 38.014 1.00 55.07 O ATOM 1487 CB GLU C 956 16.278 7.418 38.441 1.00 52.24 C ATOM 1488 CG GLU C 956 17.747 7.055 38.551 1.00 54.24 C ATOM 1489 CD GLU C 956 17.977 5.561 38.428 1.00 57.45 C ATOM 1490 OE1 GLU C 956 18.568 5.130 37.417 1.00 62.49 O ATOM 1491 OE2 GLU C 956 17.560 4.818 39.341 1.00 66.63 O1+ ATOM 0 H GLU C 956 14.047 8.317 38.778 1.00 48.32 H new ATOM 0 HA GLU C 956 16.366 9.039 39.704 1.00 55.95 H new ATOM 0 HB2 GLU C 956 15.764 6.809 38.994 1.00 52.24 H new ATOM 0 HB3 GLU C 956 15.991 7.280 37.525 1.00 52.24 H new ATOM 0 HG2 GLU C 956 18.245 7.516 37.858 1.00 54.24 H new ATOM 0 HG3 GLU C 956 18.093 7.365 39.403 1.00 54.24 H new ATOM 1492 N ASP C 957 15.730 10.074 36.765 1.00 49.80 N ATOM 1493 CA ASP C 957 16.111 11.024 35.725 1.00 47.03 C ATOM 1494 C ASP C 957 16.148 12.456 36.253 1.00 47.88 C ATOM 1495 O ASP C 957 16.925 13.284 35.776 1.00 53.36 O ATOM 1496 CB ASP C 957 15.145 10.937 34.543 1.00 46.77 C ATOM 1497 CG ASP C 957 15.487 11.918 33.439 1.00 75.85 C ATOM 1498 OD1 ASP C 957 16.689 12.081 33.140 1.00 91.86 O ATOM 1499 OD2 ASP C 957 14.555 12.532 32.876 1.00 76.59 O1+ ATOM 0 H ASP C 957 14.978 9.681 36.625 1.00 49.80 H new ATOM 0 HA ASP C 957 17.005 10.787 35.431 1.00 47.03 H new ATOM 0 HB2 ASP C 957 15.157 10.035 34.185 1.00 46.77 H new ATOM 0 HB3 ASP C 957 14.242 11.107 34.854 1.00 46.77 H new ATOM 1500 N HIS C 958 15.296 12.744 37.232 1.00 51.44 N ATOM 1501 CA HIS C 958 15.225 14.078 37.820 1.00 56.29 C ATOM 1502 C HIS C 958 16.527 14.471 38.494 1.00 62.08 C ATOM 1503 O HIS C 958 16.986 15.606 38.367 1.00 67.09 O ATOM 1504 CB HIS C 958 14.086 14.160 38.835 1.00 54.07 C ATOM 1505 CG HIS C 958 12.739 14.366 38.219 1.00 39.14 C ATOM 1506 ND1 HIS C 958 11.645 13.600 38.555 1.00 33.91 N ATOM 1507 CD2 HIS C 958 12.304 15.259 37.298 1.00 36.01 C ATOM 1508 CE1 HIS C 958 10.595 14.006 37.864 1.00 32.49 C ATOM 1509 NE2 HIS C 958 10.968 15.012 37.094 1.00 47.15 N ATOM 0 H HIS C 958 14.747 12.177 37.572 1.00 51.44 H new ATOM 0 HA HIS C 958 15.059 14.698 37.093 1.00 56.29 H new ATOM 0 HB2 HIS C 958 14.071 13.343 39.358 1.00 54.07 H new ATOM 0 HB3 HIS C 958 14.265 14.888 39.451 1.00 54.07 H new ATOM 0 HD2 HIS C 958 12.814 15.916 36.882 1.00 36.01 H new ATOM 0 HE1 HIS C 958 9.739 13.645 37.912 1.00 32.49 H new ATOM 0 HE2 HIS C 958 10.457 15.443 36.553 1.00 47.15 H new ATOM 1510 N LEU C 959 17.114 13.526 39.217 1.00 52.10 N ATOM 1511 CA LEU C 959 18.353 13.774 39.940 1.00 70.43 C ATOM 1512 C LEU C 959 19.574 13.731 39.023 1.00 73.33 C ATOM 1513 O LEU C 959 20.371 14.675 38.987 1.00 98.58 O ATOM 1514 CB LEU C 959 18.517 12.759 41.068 1.00 56.42 C ATOM 1515 CG LEU C 959 17.517 12.876 42.217 1.00 51.74 C ATOM 1516 CD1 LEU C 959 17.887 11.924 43.336 1.00 53.76 C ATOM 1517 CD2 LEU C 959 17.471 14.303 42.730 1.00 49.40 C ATOM 0 H LEU C 959 16.807 12.727 39.302 1.00 52.10 H new ATOM 0 HA LEU C 959 18.295 14.669 40.311 1.00 70.43 H new ATOM 0 HB2 LEU C 959 18.448 11.868 40.691 1.00 56.42 H new ATOM 0 HB3 LEU C 959 19.412 12.845 41.431 1.00 56.42 H new ATOM 0 HG LEU C 959 16.636 12.637 41.888 1.00 51.74 H new ATOM 0 HD11 LEU C 959 17.245 12.008 44.058 1.00 53.76 H new ATOM 0 HD12 LEU C 959 17.880 11.013 43.002 1.00 53.76 H new ATOM 0 HD13 LEU C 959 18.773 12.140 43.665 1.00 53.76 H new ATOM 0 HD21 LEU C 959 16.833 14.365 43.458 1.00 49.40 H new ATOM 0 HD22 LEU C 959 18.350 14.561 43.048 1.00 49.40 H new ATOM 0 HD23 LEU C 959 17.200 14.897 42.012 1.00 49.40 H new ATOM 1518 N MET C 960 19.710 12.636 38.278 1.00 66.42 N ATOM 1519 CA MET C 960 20.889 12.415 37.445 1.00 87.80 C ATOM 1520 C MET C 960 21.048 13.497 36.381 1.00 81.78 C ATOM 1521 O MET C 960 22.141 13.997 36.162 1.00 79.94 O ATOM 1522 CB MET C 960 20.823 11.037 36.784 1.00 82.62 C ATOM 1523 CG MET C 960 20.639 9.884 37.774 1.00 81.00 C ATOM 1524 SD MET C 960 21.972 9.669 38.974 1.00 88.23 S ATOM 1525 CE MET C 960 21.168 8.541 40.116 1.00 76.40 C ATOM 0 H MET C 960 19.126 12.005 38.241 1.00 66.42 H new ATOM 0 HA MET C 960 21.665 12.457 38.026 1.00 87.80 H new ATOM 0 HB2 MET C 960 20.090 11.027 36.149 1.00 82.62 H new ATOM 0 HB3 MET C 960 21.638 10.891 36.278 1.00 82.62 H new ATOM 0 HG2 MET C 960 19.809 10.022 38.257 1.00 81.00 H new ATOM 0 HG3 MET C 960 20.541 9.060 37.272 1.00 81.00 H new ATOM 0 HE1 MET C 960 21.371 8.804 41.027 1.00 76.40 H new ATOM 0 HE2 MET C 960 20.208 8.570 39.978 1.00 76.40 H new ATOM 0 HE3 MET C 960 21.490 7.639 39.961 1.00 76.40 H new ATOM 1526 N SER C 961 19.947 13.893 35.753 1.00 74.30 N ATOM 1527 CA SER C 961 20.012 14.807 34.613 1.00 78.95 C ATOM 1528 C SER C 961 19.290 16.150 34.797 1.00 75.10 C ATOM 1529 O SER C 961 19.916 17.200 34.642 1.00 92.57 O ATOM 1530 CB SER C 961 19.461 14.108 33.370 1.00 76.60 C ATOM 1531 OG SER C 961 20.246 12.973 33.060 1.00 78.18 O ATOM 0 H SER C 961 19.152 13.646 35.969 1.00 74.30 H new ATOM 0 HA SER C 961 20.951 15.030 34.520 1.00 78.95 H new ATOM 0 HB2 SER C 961 18.541 13.842 33.522 1.00 76.60 H new ATOM 0 HB3 SER C 961 19.458 14.723 32.620 1.00 76.60 H new ATOM 0 HG SER C 961 19.935 12.595 32.377 1.00 78.18 H new ATOM 1532 N ALA C 962 17.997 16.082 35.079 1.00 61.77 N ATOM 1533 CA ALA C 962 17.135 17.251 35.101 1.00 69.32 C ATOM 1534 C ALA C 962 17.805 18.488 35.658 1.00 77.99 C ATOM 1535 O ALA C 962 18.087 19.422 34.928 1.00 92.46 O ATOM 1536 CB ALA C 962 15.851 16.954 35.858 1.00 74.63 C ATOM 0 H ALA C 962 17.591 15.347 35.265 1.00 61.77 H new ATOM 0 HA ALA C 962 16.927 17.450 34.175 1.00 69.32 H new ATOM 0 HB1 ALA C 962 15.288 17.744 35.863 1.00 74.63 H new ATOM 0 HB2 ALA C 962 15.381 16.225 35.424 1.00 74.63 H new ATOM 0 HB3 ALA C 962 16.064 16.703 36.771 1.00 74.63 H new ATOM 1537 N MET C 963 18.048 18.508 36.957 1.00 77.57 N ATOM 1538 CA MET C 963 18.592 19.709 37.569 1.00 83.96 C ATOM 1539 C MET C 963 20.101 19.633 37.774 1.00 83.24 C ATOM 1540 O MET C 963 20.709 18.580 37.622 1.00 84.28 O ATOM 1541 CB MET C 963 17.857 20.044 38.872 1.00 87.44 C ATOM 1542 CG MET C 963 16.637 20.943 38.693 1.00 81.84 C ATOM 1543 SD MET C 963 15.623 20.570 37.245 1.00 87.56 S ATOM 1544 CE MET C 963 14.166 19.829 37.974 1.00 68.40 C ATOM 0 H MET C 963 17.909 17.851 37.495 1.00 77.57 H new ATOM 0 HA MET C 963 18.442 20.437 36.946 1.00 83.96 H new ATOM 0 HB2 MET C 963 17.577 19.217 39.295 1.00 87.44 H new ATOM 0 HB3 MET C 963 18.478 20.476 39.479 1.00 87.44 H new ATOM 0 HG2 MET C 963 16.083 20.875 39.486 1.00 81.84 H new ATOM 0 HG3 MET C 963 16.936 21.864 38.634 1.00 81.84 H new ATOM 0 HE1 MET C 963 13.414 19.930 37.369 1.00 68.40 H new ATOM 0 HE2 MET C 963 14.328 18.886 38.133 1.00 68.40 H new ATOM 0 HE3 MET C 963 13.966 20.269 38.815 1.00 68.40 H new ATOM 1545 N ASN C 964 20.688 20.777 38.102 1.00 98.46 N ATOM 1546 CA ASN C 964 22.134 20.945 38.183 1.00101.30 C ATOM 1547 C ASN C 964 22.766 20.301 39.407 1.00 96.83 C ATOM 1548 O ASN C 964 23.282 20.985 40.280 1.00 94.14 O ATOM 1549 CB ASN C 964 22.482 22.434 38.142 1.00108.65 C ATOM 1550 CG ASN C 964 21.436 23.301 38.822 1.00118.33 C ATOM 1551 OD1 ASN C 964 20.486 23.760 38.189 1.00110.11 O ATOM 1552 ND2 ASN C 964 21.608 23.528 40.114 1.00121.14 N ATOM 0 H ASN C 964 20.248 21.492 38.288 1.00 98.46 H new ATOM 0 HA ASN C 964 22.505 20.483 37.415 1.00101.30 H new ATOM 0 HB2 ASN C 964 23.341 22.573 38.571 1.00108.65 H new ATOM 0 HB3 ASN C 964 22.578 22.714 37.218 1.00108.65 H new ATOM 0 HD21 ASN C 964 21.043 24.013 40.544 1.00121.14 H new ATOM 0 HD22 ASN C 964 22.285 23.190 40.524 1.00121.14 H new ATOM 1553 N ILE C 965 22.735 18.978 39.455 1.00 94.91 N ATOM 1554 CA ILE C 965 23.226 18.247 40.616 1.00 64.99 C ATOM 1555 C ILE C 965 24.286 17.223 40.220 1.00 54.35 C ATOM 1556 O ILE C 965 24.085 16.436 39.297 1.00 65.84 O ATOM 1557 CB ILE C 965 22.078 17.540 41.357 1.00 62.81 C ATOM 1558 CG1 ILE C 965 21.215 18.565 42.100 1.00 64.64 C ATOM 1559 CG2 ILE C 965 22.626 16.524 42.337 1.00 63.75 C ATOM 1560 CD1 ILE C 965 20.082 17.956 42.891 1.00 81.06 C ATOM 0 H ILE C 965 22.432 18.480 38.822 1.00 94.91 H new ATOM 0 HA ILE C 965 23.629 18.899 41.211 1.00 64.99 H new ATOM 0 HB ILE C 965 21.530 17.080 40.702 1.00 62.81 H new ATOM 0 HG12 ILE C 965 21.780 19.074 42.702 1.00 64.64 H new ATOM 0 HG13 ILE C 965 20.848 19.192 41.457 1.00 64.64 H new ATOM 0 HG21 ILE C 965 21.891 16.087 42.796 1.00 63.75 H new ATOM 0 HG22 ILE C 965 23.147 15.861 41.858 1.00 63.75 H new ATOM 0 HG23 ILE C 965 23.191 16.972 42.986 1.00 63.75 H new ATOM 0 HD11 ILE C 965 19.581 18.659 43.333 1.00 81.06 H new ATOM 0 HD12 ILE C 965 19.495 17.468 42.293 1.00 81.06 H new ATOM 0 HD13 ILE C 965 20.441 17.349 43.557 1.00 81.06 H new ATOM 1561 N LYS C 966 25.418 17.251 40.920 1.00 47.08 N ATOM 1562 CA LYS C 966 26.500 16.300 40.694 1.00 44.82 C ATOM 1563 C LYS C 966 26.000 14.869 40.863 1.00 47.49 C ATOM 1564 O LYS C 966 25.236 14.578 41.780 1.00 48.50 O ATOM 1565 CB LYS C 966 27.664 16.588 41.646 1.00 46.74 C ATOM 1566 CG LYS C 966 28.394 17.890 41.341 1.00 62.98 C ATOM 1567 CD LYS C 966 29.341 18.285 42.463 1.00 63.91 C ATOM 1568 CE LYS C 966 30.191 19.487 42.069 1.00 51.19 C ATOM 1569 NZ LYS C 966 29.362 20.630 41.587 1.00 80.47 N ATOM 0 H LYS C 966 25.579 17.824 41.541 1.00 47.08 H new ATOM 0 HA LYS C 966 26.818 16.400 39.783 1.00 44.82 H new ATOM 0 HB2 LYS C 966 27.328 16.620 42.555 1.00 46.74 H new ATOM 0 HB3 LYS C 966 28.296 15.854 41.603 1.00 46.74 H new ATOM 0 HG2 LYS C 966 28.894 17.794 40.515 1.00 62.98 H new ATOM 0 HG3 LYS C 966 27.746 18.598 41.200 1.00 62.98 H new ATOM 0 HD2 LYS C 966 28.831 18.494 43.261 1.00 63.91 H new ATOM 0 HD3 LYS C 966 29.917 17.536 42.682 1.00 63.91 H new ATOM 0 HE2 LYS C 966 30.719 19.771 42.831 1.00 51.19 H new ATOM 0 HE3 LYS C 966 30.815 19.226 41.373 1.00 51.19 H new ATOM 0 HZ1 LYS C 966 29.863 21.364 41.547 1.00 80.47 H new ATOM 0 HZ2 LYS C 966 29.043 20.445 40.777 1.00 80.47 H new ATOM 0 HZ3 LYS C 966 28.685 20.764 42.149 1.00 80.47 H new ATOM 1570 N ARG C 967 26.431 13.990 39.963 1.00 57.22 N ATOM 1571 CA ARG C 967 25.943 12.613 39.905 1.00 43.45 C ATOM 1572 C ARG C 967 26.177 11.842 41.200 1.00 36.92 C ATOM 1573 O ARG C 967 25.331 11.055 41.621 1.00 38.91 O ATOM 1574 CB ARG C 967 26.606 11.870 38.742 1.00 50.69 C ATOM 1575 CG ARG C 967 26.536 12.600 37.412 1.00 80.94 C ATOM 1576 CD ARG C 967 25.110 12.750 36.924 1.00 82.92 C ATOM 1577 NE ARG C 967 25.065 13.380 35.606 1.00107.02 N ATOM 1578 CZ ARG C 967 24.920 14.684 35.400 1.00105.74 C ATOM 1579 NH1 ARG C 967 24.777 15.505 36.426 1.00 75.57 N ATOM 1580 NH2 ARG C 967 24.902 15.161 34.165 1.00110.91 N ATOM 0 H ARG C 967 27.019 14.176 39.364 1.00 57.22 H new ATOM 0 HA ARG C 967 24.984 12.664 39.770 1.00 43.45 H new ATOM 0 HB2 ARG C 967 27.537 11.711 38.963 1.00 50.69 H new ATOM 0 HB3 ARG C 967 26.185 11.002 38.645 1.00 50.69 H new ATOM 0 HG2 ARG C 967 26.940 13.477 37.503 1.00 80.94 H new ATOM 0 HG3 ARG C 967 27.055 12.116 36.750 1.00 80.94 H new ATOM 0 HD2 ARG C 967 24.686 11.878 36.883 1.00 82.92 H new ATOM 0 HD3 ARG C 967 24.603 13.282 37.557 1.00 82.92 H new ATOM 0 HE ARG C 967 25.137 12.871 34.916 1.00107.02 H new ATOM 0 HH11 ARG C 967 24.778 15.195 37.228 1.00 75.57 H new ATOM 0 HH12 ARG C 967 24.683 16.349 36.291 1.00 75.57 H new ATOM 0 HH21 ARG C 967 24.984 14.626 33.496 1.00110.91 H new ATOM 0 HH22 ARG C 967 24.808 16.005 34.031 1.00110.91 H new ATOM 1581 N GLY C 968 27.332 12.074 41.817 1.00 52.37 N ATOM 1582 CA GLY C 968 27.714 11.402 43.046 1.00 42.55 C ATOM 1583 C GLY C 968 26.671 11.527 44.134 1.00 44.59 C ATOM 1584 O GLY C 968 26.045 10.536 44.506 1.00 39.04 O ATOM 0 H GLY C 968 27.919 12.632 41.528 1.00 52.37 H new ATOM 0 HA2 GLY C 968 27.870 10.463 42.861 1.00 42.55 H new ATOM 0 HA3 GLY C 968 28.552 11.772 43.364 1.00 42.55 H new ATOM 1585 N PRO C 969 26.487 12.747 44.655 1.00 37.75 N ATOM 1586 CA PRO C 969 25.439 13.012 45.642 1.00 36.93 C ATOM 1587 C PRO C 969 24.049 12.631 45.135 1.00 32.08 C ATOM 1588 O PRO C 969 23.232 12.151 45.917 1.00 45.29 O ATOM 1589 CB PRO C 969 25.547 14.520 45.860 1.00 31.75 C ATOM 1590 CG PRO C 969 26.968 14.833 45.566 1.00 33.43 C ATOM 1591 CD PRO C 969 27.347 13.924 44.438 1.00 40.34 C ATOM 0 HA PRO C 969 25.554 12.490 46.451 1.00 36.93 H new ATOM 0 HB2 PRO C 969 24.948 15.006 45.272 1.00 31.75 H new ATOM 0 HB3 PRO C 969 25.312 14.764 46.769 1.00 31.75 H new ATOM 0 HG2 PRO C 969 27.077 15.764 45.317 1.00 33.43 H new ATOM 0 HG3 PRO C 969 27.528 14.679 46.343 1.00 33.43 H new ATOM 0 HD2 PRO C 969 27.182 14.335 43.575 1.00 40.34 H new ATOM 0 HD3 PRO C 969 28.288 13.691 44.466 1.00 40.34 H new ATOM 1592 N ALA C 970 23.793 12.839 43.847 1.00 37.11 N ATOM 1593 CA ALA C 970 22.505 12.491 43.253 1.00 29.70 C ATOM 1594 C ALA C 970 22.234 10.995 43.355 1.00 39.32 C ATOM 1595 O ALA C 970 21.099 10.574 43.586 1.00 31.06 O ATOM 1596 CB ALA C 970 22.455 12.934 41.805 1.00 38.69 C ATOM 0 H ALA C 970 24.356 13.183 43.296 1.00 37.11 H new ATOM 0 HA ALA C 970 21.814 12.956 43.750 1.00 29.70 H new ATOM 0 HB1 ALA C 970 21.595 12.697 41.423 1.00 38.69 H new ATOM 0 HB2 ALA C 970 22.576 13.895 41.756 1.00 38.69 H new ATOM 0 HB3 ALA C 970 23.162 12.494 41.307 1.00 38.69 H new ATOM 1597 N LEU C 971 23.282 10.196 43.178 1.00 43.89 N ATOM 1598 CA LEU C 971 23.179 8.747 43.307 1.00 37.76 C ATOM 1599 C LEU C 971 22.855 8.344 44.741 1.00 30.24 C ATOM 1600 O LEU C 971 22.058 7.437 44.974 1.00 32.52 O ATOM 1601 CB LEU C 971 24.477 8.076 42.854 1.00 38.89 C ATOM 1602 CG LEU C 971 24.705 7.924 41.350 1.00 33.10 C ATOM 1603 CD1 LEU C 971 26.189 7.939 41.044 1.00 34.91 C ATOM 1604 CD2 LEU C 971 24.079 6.635 40.849 1.00 35.59 C ATOM 0 H LEU C 971 24.070 10.478 42.980 1.00 43.89 H new ATOM 0 HA LEU C 971 22.454 8.449 42.736 1.00 37.76 H new ATOM 0 HB2 LEU C 971 25.219 8.582 43.220 1.00 38.89 H new ATOM 0 HB3 LEU C 971 24.512 7.193 43.253 1.00 38.89 H new ATOM 0 HG LEU C 971 24.284 8.670 40.895 1.00 33.10 H new ATOM 0 HD11 LEU C 971 26.324 7.842 40.088 1.00 34.91 H new ATOM 0 HD12 LEU C 971 26.572 8.779 41.340 1.00 34.91 H new ATOM 0 HD13 LEU C 971 26.623 7.205 41.507 1.00 34.91 H new ATOM 0 HD21 LEU C 971 24.231 6.551 39.895 1.00 35.59 H new ATOM 0 HD22 LEU C 971 24.481 5.880 41.307 1.00 35.59 H new ATOM 0 HD23 LEU C 971 23.125 6.649 41.024 1.00 35.59 H new ATOM 1605 N LYS C 972 23.476 9.025 45.700 1.00 36.98 N ATOM 1606 CA LYS C 972 23.263 8.726 47.112 1.00 36.10 C ATOM 1607 C LYS C 972 21.858 9.115 47.556 1.00 41.12 C ATOM 1608 O LYS C 972 21.173 8.343 48.225 1.00 47.06 O ATOM 1609 CB LYS C 972 24.291 9.449 47.981 1.00 38.50 C ATOM 1610 CG LYS C 972 25.733 9.289 47.536 1.00 33.29 C ATOM 1611 CD LYS C 972 26.659 10.036 48.481 1.00 31.59 C ATOM 1612 CE LYS C 972 27.994 10.344 47.831 1.00 41.40 C ATOM 1613 NZ LYS C 972 28.838 11.204 48.707 1.00 44.62 N1+ ATOM 0 H LYS C 972 24.028 9.668 45.552 1.00 36.98 H new ATOM 0 HA LYS C 972 23.369 7.768 47.223 1.00 36.10 H new ATOM 0 HB2 LYS C 972 24.074 10.394 47.996 1.00 38.50 H new ATOM 0 HB3 LYS C 972 24.210 9.125 48.892 1.00 38.50 H new ATOM 0 HG2 LYS C 972 25.970 8.349 47.516 1.00 33.29 H new ATOM 0 HG3 LYS C 972 25.839 9.627 46.633 1.00 33.29 H new ATOM 0 HD2 LYS C 972 26.237 10.863 48.762 1.00 31.59 H new ATOM 0 HD3 LYS C 972 26.803 9.506 49.280 1.00 31.59 H new ATOM 0 HE2 LYS C 972 28.462 9.516 47.640 1.00 41.40 H new ATOM 0 HE3 LYS C 972 27.847 10.789 46.982 1.00 41.40 H new ATOM 0 HZ1 LYS C 972 29.120 11.911 48.246 1.00 44.62 H new ATOM 0 HZ2 LYS C 972 28.359 11.477 49.406 1.00 44.62 H new ATOM 0 HZ3 LYS C 972 29.540 10.738 48.993 1.00 44.62 H new ATOM 1614 N ILE C 973 21.445 10.325 47.189 1.00 41.19 N ATOM 1615 CA ILE C 973 20.118 10.827 47.525 1.00 35.23 C ATOM 1616 C ILE C 973 19.036 9.923 46.939 1.00 37.84 C ATOM 1617 O ILE C 973 18.037 9.631 47.597 1.00 52.75 O ATOM 1618 CB ILE C 973 19.923 12.272 47.018 1.00 25.07 C ATOM 1619 CG1 ILE C 973 20.901 13.218 47.718 1.00 31.59 C ATOM 1620 CG2 ILE C 973 18.495 12.737 47.250 1.00 39.42 C ATOM 1621 CD1 ILE C 973 20.863 14.637 47.196 1.00 23.39 C ATOM 0 H ILE C 973 21.927 10.877 46.738 1.00 41.19 H new ATOM 0 HA ILE C 973 20.041 10.827 48.492 1.00 35.23 H new ATOM 0 HB ILE C 973 20.100 12.284 46.064 1.00 25.07 H new ATOM 0 HG12 ILE C 973 20.704 13.227 48.668 1.00 31.59 H new ATOM 0 HG13 ILE C 973 21.801 12.870 47.618 1.00 31.59 H new ATOM 0 HG21 ILE C 973 18.393 13.645 46.925 1.00 39.42 H new ATOM 0 HG22 ILE C 973 17.883 12.154 46.774 1.00 39.42 H new ATOM 0 HG23 ILE C 973 18.296 12.709 48.199 1.00 39.42 H new ATOM 0 HD11 ILE C 973 21.505 15.178 47.682 1.00 23.39 H new ATOM 0 HD12 ILE C 973 21.087 14.641 46.252 1.00 23.39 H new ATOM 0 HD13 ILE C 973 19.973 15.003 47.318 1.00 23.39 H new HETATM 1622 N CME C 974 19.253 9.472 45.707 1.00 42.37 N HETATM 1623 CA CME C 974 18.313 8.605 45.026 1.00 40.65 C HETATM 1624 CB CME C 974 18.701 8.241 43.587 1.00 41.65 C HETATM 1625 SG CME C 974 17.410 7.547 42.613 1.00 45.69 S HETATM 1626 SD CME C 974 15.888 9.001 42.545 1.00 53.92 S HETATM 1627 CE CME C 974 14.529 8.365 43.457 1.00 53.13 C HETATM 1628 CZ CME C 974 13.958 7.093 42.867 1.00 53.80 C HETATM 1629 OH CME C 974 12.992 6.613 43.793 1.00 55.78 O HETATM 1630 C CME C 974 18.156 7.300 45.797 1.00 41.05 C HETATM 1631 O CME C 974 17.070 6.780 46.053 1.00 38.82 O HETATM 0 HZ3 CME C 974 13.552 7.266 42.003 1.00 53.80 H new HETATM 0 HZ2 CME C 974 14.656 6.435 42.725 1.00 53.80 H new HETATM 0 HH CME C 974 13.250 5.880 44.113 1.00 55.78 H new HETATM 0 HE3 CME C 974 14.811 8.193 44.369 1.00 53.13 H new HETATM 0 HE2 CME C 974 13.831 9.037 43.498 1.00 53.13 H new HETATM 0 HB3 CME C 974 19.027 9.040 43.144 1.00 41.65 H new HETATM 0 HB2 CME C 974 19.439 7.612 43.616 1.00 41.65 H new HETATM 0 HA CME C 974 17.489 9.116 44.987 1.00 40.65 H new HETATM 0 H CME C 974 19.962 9.740 45.301 1.00 42.37 H new ATOM 1632 N ALA C 975 19.304 6.755 46.185 1.00 50.78 N ATOM 1633 CA ALA C 975 19.352 5.476 46.884 1.00 49.38 C ATOM 1634 C ALA C 975 18.696 5.555 48.257 1.00 45.34 C ATOM 1635 O ALA C 975 18.100 4.585 48.724 1.00 46.04 O ATOM 1636 CB ALA C 975 20.789 5.003 47.017 1.00 38.86 C ATOM 0 H ALA C 975 20.074 7.114 46.051 1.00 50.78 H new ATOM 0 HA ALA C 975 18.851 4.835 46.355 1.00 49.38 H new ATOM 0 HB1 ALA C 975 20.808 4.152 47.483 1.00 38.86 H new ATOM 0 HB2 ALA C 975 21.178 4.897 46.135 1.00 38.86 H new ATOM 0 HB3 ALA C 975 21.300 5.657 47.518 1.00 38.86 H new ATOM 1637 N ARG C 976 18.804 6.712 48.901 1.00 41.78 N ATOM 1638 CA ARG C 976 18.254 6.878 50.239 1.00 46.43 C ATOM 1639 C ARG C 976 16.744 7.069 50.185 1.00 55.76 C ATOM 1640 O ARG C 976 16.037 6.755 51.142 1.00 64.73 O ATOM 1641 CB ARG C 976 18.916 8.057 50.956 1.00 47.58 C ATOM 1642 CG ARG C 976 18.930 7.927 52.478 1.00 54.29 C ATOM 1643 CD ARG C 976 20.140 7.132 52.980 1.00 72.34 C ATOM 1644 NE ARG C 976 20.228 5.794 52.397 1.00 99.89 N ATOM 1645 CZ ARG C 976 21.205 4.926 52.640 1.00115.16 C ATOM 1646 NH1 ARG C 976 22.191 5.247 53.467 1.00108.38 N1+ ATOM 1647 NH2 ARG C 976 21.193 3.735 52.054 1.00102.28 N ATOM 0 H ARG C 976 19.191 7.411 48.581 1.00 41.78 H new ATOM 0 HA ARG C 976 18.441 6.070 50.741 1.00 46.43 H new ATOM 0 HB2 ARG C 976 19.829 8.146 50.639 1.00 47.58 H new ATOM 0 HB3 ARG C 976 18.451 8.873 50.714 1.00 47.58 H new ATOM 0 HG2 ARG C 976 18.938 8.811 52.876 1.00 54.29 H new ATOM 0 HG3 ARG C 976 18.114 7.491 52.771 1.00 54.29 H new ATOM 0 HD2 ARG C 976 20.951 7.623 52.774 1.00 72.34 H new ATOM 0 HD3 ARG C 976 20.092 7.056 53.946 1.00 72.34 H new ATOM 0 HE ARG C 976 19.603 5.551 51.858 1.00 99.89 H new ATOM 0 HH11 ARG C 976 22.199 6.018 53.847 1.00108.38 H new ATOM 0 HH12 ARG C 976 22.822 4.684 53.623 1.00108.38 H new ATOM 0 HH21 ARG C 976 20.554 3.526 51.518 1.00102.28 H new ATOM 0 HH22 ARG C 976 21.824 3.172 52.210 1.00102.28 H new ATOM 1648 N ILE C 977 16.255 7.587 49.063 1.00 46.62 N ATOM 1649 CA ILE C 977 14.821 7.717 48.849 1.00 37.63 C ATOM 1650 C ILE C 977 14.230 6.340 48.569 1.00 40.03 C ATOM 1651 O ILE C 977 13.151 6.004 49.055 1.00 51.25 O ATOM 1652 CB ILE C 977 14.503 8.683 47.689 1.00 46.02 C ATOM 1653 CG1 ILE C 977 14.964 10.099 48.033 1.00 44.88 C ATOM 1654 CG2 ILE C 977 13.018 8.692 47.383 1.00 37.34 C ATOM 1655 CD1 ILE C 977 14.690 11.109 46.945 1.00 51.49 C ATOM 0 H ILE C 977 16.740 7.870 48.412 1.00 46.62 H new ATOM 0 HA ILE C 977 14.423 8.090 49.651 1.00 37.63 H new ATOM 0 HB ILE C 977 14.981 8.373 46.904 1.00 46.02 H new ATOM 0 HG12 ILE C 977 14.522 10.385 48.848 1.00 44.88 H new ATOM 0 HG13 ILE C 977 15.916 10.085 48.217 1.00 44.88 H new ATOM 0 HG21 ILE C 977 12.842 9.305 46.652 1.00 37.34 H new ATOM 0 HG22 ILE C 977 12.734 7.799 47.132 1.00 37.34 H new ATOM 0 HG23 ILE C 977 12.527 8.978 48.169 1.00 37.34 H new ATOM 0 HD11 ILE C 977 15.006 11.982 47.227 1.00 51.49 H new ATOM 0 HD12 ILE C 977 15.152 10.845 46.134 1.00 51.49 H new ATOM 0 HD13 ILE C 977 13.736 11.150 46.774 1.00 51.49 H new ATOM 1656 N ASN C 978 14.956 5.540 47.794 1.00 36.64 N ATOM 1657 CA ASN C 978 14.536 4.177 47.494 1.00 42.88 C ATOM 1658 C ASN C 978 14.442 3.324 48.753 1.00 46.39 C ATOM 1659 O ASN C 978 13.519 2.525 48.902 1.00 53.97 O ATOM 1660 CB ASN C 978 15.495 3.530 46.493 1.00 58.06 C ATOM 1661 CG ASN C 978 15.308 4.056 45.083 1.00 62.87 C ATOM 1662 OD1 ASN C 978 14.197 4.399 44.680 1.00 47.48 O ATOM 1663 ND2 ASN C 978 16.398 4.120 44.325 1.00 59.15 N ATOM 0 H ASN C 978 15.700 5.770 47.430 1.00 36.64 H new ATOM 0 HA ASN C 978 13.650 4.226 47.102 1.00 42.88 H new ATOM 0 HB2 ASN C 978 16.409 3.690 46.776 1.00 58.06 H new ATOM 0 HB3 ASN C 978 15.361 2.569 46.497 1.00 58.06 H new ATOM 0 HD21 ASN C 978 16.344 4.410 43.517 1.00 59.15 H new ATOM 0 HD22 ASN C 978 17.158 3.871 44.642 1.00 59.15 H new ATOM 1664 N SER C 979 15.401 3.501 49.656 1.00 41.08 N ATOM 1665 CA SER C 979 15.407 2.771 50.920 1.00 56.12 C ATOM 1666 C SER C 979 14.347 3.325 51.865 1.00 56.31 C ATOM 1667 O SER C 979 13.843 2.618 52.738 1.00 61.53 O ATOM 1668 CB SER C 979 16.788 2.839 51.580 1.00 62.69 C ATOM 1669 OG SER C 979 17.105 4.165 51.973 1.00 53.78 O ATOM 0 H SER C 979 16.061 4.043 49.555 1.00 41.08 H new ATOM 0 HA SER C 979 15.201 1.842 50.731 1.00 56.12 H new ATOM 0 HB2 SER C 979 16.808 2.256 52.355 1.00 62.69 H new ATOM 0 HB3 SER C 979 17.461 2.513 50.962 1.00 62.69 H new ATOM 0 HG SER C 979 16.660 4.708 51.512 1.00 53.78 H new ATOM 1670 N LEU C 980 14.015 4.598 51.677 1.00 64.99 N ATOM 1671 CA LEU C 980 13.023 5.277 52.501 1.00 44.32 C ATOM 1672 C LEU C 980 11.625 4.739 52.232 1.00 54.73 C ATOM 1673 O LEU C 980 10.728 4.864 53.067 1.00 61.71 O ATOM 1674 CB LEU C 980 13.055 6.783 52.240 1.00 46.61 C ATOM 1675 CG LEU C 980 12.837 7.701 53.442 1.00 63.77 C ATOM 1676 CD1 LEU C 980 14.069 7.705 54.337 1.00 66.87 C ATOM 1677 CD2 LEU C 980 12.492 9.106 52.982 1.00 48.11 C ATOM 0 H LEU C 980 14.361 5.094 51.065 1.00 64.99 H new ATOM 0 HA LEU C 980 13.244 5.108 53.430 1.00 44.32 H new ATOM 0 HB2 LEU C 980 13.914 7.002 51.845 1.00 46.61 H new ATOM 0 HB3 LEU C 980 12.377 6.988 51.577 1.00 46.61 H new ATOM 0 HG LEU C 980 12.090 7.363 53.960 1.00 63.77 H new ATOM 0 HD11 LEU C 980 13.917 8.291 55.095 1.00 66.87 H new ATOM 0 HD12 LEU C 980 14.242 6.805 54.654 1.00 66.87 H new ATOM 0 HD13 LEU C 980 14.835 8.022 53.833 1.00 66.87 H new ATOM 0 HD21 LEU C 980 12.357 9.676 53.755 1.00 48.11 H new ATOM 0 HD22 LEU C 980 13.218 9.458 52.444 1.00 48.11 H new ATOM 0 HD23 LEU C 980 11.680 9.083 52.452 1.00 48.11 H new ATOM 1678 N LYS C 981 11.449 4.141 51.058 1.00 47.44 N ATOM 1679 CA LYS C 981 10.140 3.678 50.617 1.00 51.60 C ATOM 1680 C LYS C 981 9.837 2.259 51.087 1.00 85.23 C ATOM 1681 O LYS C 981 8.930 1.607 50.570 1.00 99.11 O ATOM 1682 CB LYS C 981 10.044 3.758 49.095 1.00 44.23 C ATOM 1683 CG LYS C 981 10.070 5.182 48.563 1.00 35.88 C ATOM 1684 CD LYS C 981 10.183 5.215 47.049 1.00 40.48 C ATOM 1685 CE LYS C 981 10.206 6.644 46.530 1.00 37.38 C ATOM 1686 NZ LYS C 981 10.468 6.709 45.065 1.00 40.18 N1+ ATOM 0 H LYS C 981 12.084 3.993 50.497 1.00 47.44 H new ATOM 0 HA LYS C 981 9.477 4.261 51.019 1.00 51.60 H new ATOM 0 HB2 LYS C 981 10.779 3.260 48.705 1.00 44.23 H new ATOM 0 HB3 LYS C 981 9.225 3.327 48.806 1.00 44.23 H new ATOM 0 HG2 LYS C 981 9.263 5.645 48.838 1.00 35.88 H new ATOM 0 HG3 LYS C 981 10.818 5.660 48.954 1.00 35.88 H new ATOM 0 HD2 LYS C 981 10.991 4.755 46.772 1.00 40.48 H new ATOM 0 HD3 LYS C 981 9.436 4.737 46.656 1.00 40.48 H new ATOM 0 HE2 LYS C 981 9.356 7.070 46.724 1.00 37.38 H new ATOM 0 HE3 LYS C 981 10.889 7.146 47.001 1.00 37.38 H new ATOM 0 HZ1 LYS C 981 10.155 7.477 44.741 1.00 40.18 H new ATOM 0 HZ2 LYS C 981 11.344 6.661 44.917 1.00 40.18 H new ATOM 0 HZ3 LYS C 981 10.061 6.029 44.660 1.00 40.18 H new ATOM 1687 N GLU C 982 10.599 1.787 52.069 1.00 81.07 N ATOM 1688 CA GLU C 982 10.362 0.475 52.657 1.00 73.28 C ATOM 1689 C GLU C 982 10.675 0.471 54.148 1.00 71.94 C ATOM 1690 O GLU C 982 9.916 1.004 54.952 1.00 69.29 O ATOM 1691 CB GLU C 982 11.189 -0.595 51.928 1.00 65.32 C ATOM 1692 CG GLU C 982 12.362 -0.051 51.129 1.00 67.45 C ATOM 1693 CD GLU C 982 12.994 -1.106 50.241 1.00 91.09 C ATOM 1694 OE1 GLU C 982 12.617 -2.292 50.368 1.00119.66 O ATOM 1695 OE2 GLU C 982 13.862 -0.752 49.416 1.00 70.54 O1+ ATOM 0 H GLU C 982 11.262 2.215 52.410 1.00 81.07 H new ATOM 0 HA GLU C 982 9.421 0.266 52.552 1.00 73.28 H new ATOM 0 HB2 GLU C 982 11.524 -1.229 52.581 1.00 65.32 H new ATOM 0 HB3 GLU C 982 10.605 -1.086 51.329 1.00 65.32 H new ATOM 0 HG2 GLU C 982 12.061 0.691 50.582 1.00 67.45 H new ATOM 0 HG3 GLU C 982 13.031 0.299 51.738 1.00 67.45 H new TER 1696 GLU C 982 ATOM 1697 N THR D 914 -17.620 17.388 35.741 1.00 61.19 N ATOM 1698 CA THR D 914 -16.843 16.348 36.402 1.00 82.67 C ATOM 1699 C THR D 914 -15.691 15.882 35.515 1.00 78.47 C ATOM 1700 O THR D 914 -14.560 15.747 35.975 1.00 82.87 O ATOM 1701 CB THR D 914 -17.727 15.143 36.782 1.00 92.70 C ATOM 1702 OG1 THR D 914 -18.781 15.573 37.655 1.00 76.08 O ATOM 1703 CG2 THR D 914 -16.903 14.080 37.486 1.00 53.86 C ATOM 0 HA THR D 914 -16.480 16.733 37.215 1.00 82.67 H new ATOM 0 HB THR D 914 -18.102 14.768 35.970 1.00 92.70 H new ATOM 0 HG1 THR D 914 -18.924 16.393 37.540 1.00 76.08 H new ATOM 0 HG21 THR D 914 -17.473 13.330 37.718 1.00 53.86 H new ATOM 0 HG22 THR D 914 -16.194 13.777 36.897 1.00 53.86 H new ATOM 0 HG23 THR D 914 -16.515 14.453 38.293 1.00 53.86 H new ATOM 1704 N GLU D 915 -15.989 15.638 34.242 1.00 68.60 N ATOM 1705 CA GLU D 915 -14.967 15.296 33.259 1.00 62.37 C ATOM 1706 C GLU D 915 -14.016 16.476 33.072 1.00 62.17 C ATOM 1707 O GLU D 915 -14.458 17.595 32.827 1.00 57.78 O ATOM 1708 CB GLU D 915 -15.610 14.911 31.923 1.00 65.56 C ATOM 1709 CG GLU D 915 -14.628 14.470 30.848 1.00 71.42 C ATOM 1710 CD GLU D 915 -14.230 13.010 30.973 1.00 94.26 C ATOM 1711 OE1 GLU D 915 -14.994 12.231 31.586 1.00 95.89 O ATOM 1712 OE2 GLU D 915 -13.154 12.641 30.453 1.00 80.02 O1+ ATOM 0 H GLU D 915 -16.788 15.666 33.925 1.00 68.60 H new ATOM 0 HA GLU D 915 -14.464 14.532 33.583 1.00 62.37 H new ATOM 0 HB2 GLU D 915 -16.244 14.194 32.078 1.00 65.56 H new ATOM 0 HB3 GLU D 915 -16.115 15.669 31.591 1.00 65.56 H new ATOM 0 HG2 GLU D 915 -15.023 14.619 29.975 1.00 71.42 H new ATOM 0 HG3 GLU D 915 -13.832 15.023 30.897 1.00 71.42 H new ATOM 1713 N PRO D 916 -12.703 16.229 33.194 1.00 64.04 N ATOM 1714 CA PRO D 916 -11.699 17.301 33.149 1.00 50.38 C ATOM 1715 C PRO D 916 -11.655 18.058 31.821 1.00 44.34 C ATOM 1716 O PRO D 916 -11.264 19.223 31.802 1.00 37.54 O ATOM 1717 CB PRO D 916 -10.381 16.554 33.388 1.00 44.41 C ATOM 1718 CG PRO D 916 -10.662 15.144 32.996 1.00 51.92 C ATOM 1719 CD PRO D 916 -12.088 14.903 33.375 1.00 56.85 C ATOM 0 HA PRO D 916 -11.895 17.991 33.802 1.00 50.38 H new ATOM 0 HB2 PRO D 916 -9.662 16.930 32.856 1.00 44.41 H new ATOM 0 HB3 PRO D 916 -10.107 16.613 34.317 1.00 44.41 H new ATOM 0 HG2 PRO D 916 -10.526 15.012 32.045 1.00 51.92 H new ATOM 0 HG3 PRO D 916 -10.069 14.529 33.455 1.00 51.92 H new ATOM 0 HD2 PRO D 916 -12.503 14.234 32.809 1.00 56.85 H new ATOM 0 HD3 PRO D 916 -12.169 14.590 34.290 1.00 56.85 H new ATOM 1720 N SER D 917 -12.054 17.408 30.734 1.00 37.90 N ATOM 1721 CA SER D 917 -11.990 18.018 29.410 1.00 40.79 C ATOM 1722 C SER D 917 -12.908 19.234 29.279 1.00 46.38 C ATOM 1723 O SER D 917 -12.672 20.111 28.447 1.00 33.72 O ATOM 1724 CB SER D 917 -12.341 16.990 28.335 1.00 43.24 C ATOM 1725 OG SER D 917 -13.655 16.492 28.518 1.00 65.27 O ATOM 0 H SER D 917 -12.367 16.607 30.741 1.00 37.90 H new ATOM 0 HA SER D 917 -11.079 18.326 29.287 1.00 40.79 H new ATOM 0 HB2 SER D 917 -12.265 17.396 27.457 1.00 43.24 H new ATOM 0 HB3 SER D 917 -11.707 16.257 28.364 1.00 43.24 H new ATOM 0 HG SER D 917 -13.828 15.931 27.917 1.00 65.27 H new ATOM 1726 N ILE D 918 -13.948 19.288 30.106 1.00 49.52 N ATOM 1727 CA ILE D 918 -14.903 20.391 30.057 1.00 33.99 C ATOM 1728 C ILE D 918 -14.746 21.337 31.242 1.00 29.36 C ATOM 1729 O ILE D 918 -15.575 22.223 31.447 1.00 42.58 O ATOM 1730 CB ILE D 918 -16.353 19.879 30.017 1.00 39.17 C ATOM 1731 CG1 ILE D 918 -16.700 19.145 31.311 1.00 38.05 C ATOM 1732 CG2 ILE D 918 -16.566 18.978 28.812 1.00 50.69 C ATOM 1733 CD1 ILE D 918 -18.106 18.581 31.344 1.00 56.21 C ATOM 0 H ILE D 918 -14.119 18.694 30.704 1.00 49.52 H new ATOM 0 HA ILE D 918 -14.710 20.878 29.240 1.00 33.99 H new ATOM 0 HB ILE D 918 -16.946 20.642 29.934 1.00 39.17 H new ATOM 0 HG12 ILE D 918 -16.068 18.420 31.440 1.00 38.05 H new ATOM 0 HG13 ILE D 918 -16.589 19.755 32.057 1.00 38.05 H new ATOM 0 HG21 ILE D 918 -17.484 18.664 28.801 1.00 50.69 H new ATOM 0 HG22 ILE D 918 -16.385 19.476 27.999 1.00 50.69 H new ATOM 0 HG23 ILE D 918 -15.965 18.218 28.865 1.00 50.69 H new ATOM 0 HD11 ILE D 918 -18.255 18.131 32.191 1.00 56.21 H new ATOM 0 HD12 ILE D 918 -18.747 19.302 31.245 1.00 56.21 H new ATOM 0 HD13 ILE D 918 -18.218 17.948 30.618 1.00 56.21 H new ATOM 1734 N TRP D 919 -13.683 21.148 32.017 1.00 39.94 N ATOM 1735 CA TRP D 919 -13.394 22.028 33.143 1.00 33.11 C ATOM 1736 C TRP D 919 -13.076 23.441 32.675 1.00 36.62 C ATOM 1737 O TRP D 919 -12.485 23.637 31.613 1.00 39.42 O ATOM 1738 CB TRP D 919 -12.226 21.488 33.969 1.00 38.17 C ATOM 1739 CG TRP D 919 -12.587 20.361 34.881 1.00 52.55 C ATOM 1740 CD1 TRP D 919 -13.815 19.787 35.033 1.00 49.51 C ATOM 1741 CD2 TRP D 919 -11.707 19.670 35.775 1.00 49.38 C ATOM 1742 NE1 TRP D 919 -13.754 18.778 35.965 1.00 44.24 N ATOM 1743 CE2 TRP D 919 -12.469 18.686 36.437 1.00 46.71 C ATOM 1744 CE3 TRP D 919 -10.346 19.785 36.080 1.00 50.49 C ATOM 1745 CZ2 TRP D 919 -11.919 17.825 37.383 1.00 59.47 C ATOM 1746 CZ3 TRP D 919 -9.801 18.929 37.020 1.00 42.13 C ATOM 1747 CH2 TRP D 919 -10.586 17.962 37.660 1.00 50.76 C ATOM 0 H TRP D 919 -13.114 20.513 31.907 1.00 39.94 H new ATOM 0 HA TRP D 919 -14.190 22.057 33.697 1.00 33.11 H new ATOM 0 HB2 TRP D 919 -11.527 21.191 33.366 1.00 38.17 H new ATOM 0 HB3 TRP D 919 -11.855 22.212 34.498 1.00 38.17 H new ATOM 0 HD1 TRP D 919 -14.582 20.041 34.573 1.00 49.51 H new ATOM 0 HE1 TRP D 919 -14.414 18.285 36.212 1.00 44.24 H new ATOM 0 HE3 TRP D 919 -9.818 20.425 35.659 1.00 50.49 H new ATOM 0 HZ2 TRP D 919 -12.437 17.182 37.810 1.00 59.47 H new ATOM 0 HZ3 TRP D 919 -8.898 18.997 37.231 1.00 42.13 H new ATOM 0 HH2 TRP D 919 -10.192 17.400 38.288 1.00 50.76 H new ATOM 1748 N THR D 920 -13.465 24.424 33.479 1.00 29.53 N ATOM 1749 CA THR D 920 -13.186 25.817 33.164 1.00 30.45 C ATOM 1750 C THR D 920 -11.980 26.315 33.951 1.00 34.03 C ATOM 1751 O THR D 920 -11.375 25.565 34.717 1.00 38.78 O ATOM 1752 CB THR D 920 -14.395 26.716 33.460 1.00 35.86 C ATOM 1753 OG1 THR D 920 -14.727 26.631 34.851 1.00 29.87 O ATOM 1754 CG2 THR D 920 -15.592 26.282 32.631 1.00 48.10 C ATOM 0 H THR D 920 -13.894 24.303 34.215 1.00 29.53 H new ATOM 0 HA THR D 920 -12.993 25.863 32.214 1.00 30.45 H new ATOM 0 HB THR D 920 -14.167 27.631 33.231 1.00 35.86 H new ATOM 0 HG1 THR D 920 -15.366 26.096 34.955 1.00 29.87 H new ATOM 0 HG21 THR D 920 -16.348 26.857 32.828 1.00 48.10 H new ATOM 0 HG22 THR D 920 -15.373 26.347 31.688 1.00 48.10 H new ATOM 0 HG23 THR D 920 -15.820 25.364 32.847 1.00 48.10 H new ATOM 1755 N VAL D 921 -11.639 27.584 33.758 1.00 33.81 N ATOM 1756 CA VAL D 921 -10.502 28.185 34.441 1.00 35.32 C ATOM 1757 C VAL D 921 -10.729 28.219 35.951 1.00 26.48 C ATOM 1758 O VAL D 921 -9.807 27.977 36.729 1.00 32.76 O ATOM 1759 CB VAL D 921 -10.228 29.609 33.920 1.00 36.10 C ATOM 1760 CG1 VAL D 921 -9.039 30.217 34.632 1.00 35.41 C ATOM 1761 CG2 VAL D 921 -9.985 29.582 32.419 1.00 28.44 C ATOM 0 H VAL D 921 -12.058 28.118 33.230 1.00 33.81 H new ATOM 0 HA VAL D 921 -9.726 27.634 34.254 1.00 35.32 H new ATOM 0 HB VAL D 921 -11.007 30.157 34.101 1.00 36.10 H new ATOM 0 HG11 VAL D 921 -8.881 31.112 34.292 1.00 35.41 H new ATOM 0 HG12 VAL D 921 -9.219 30.260 35.584 1.00 35.41 H new ATOM 0 HG13 VAL D 921 -8.254 29.669 34.477 1.00 35.41 H new ATOM 0 HG21 VAL D 921 -9.814 30.483 32.102 1.00 28.44 H new ATOM 0 HG22 VAL D 921 -9.218 29.020 32.225 1.00 28.44 H new ATOM 0 HG23 VAL D 921 -10.768 29.226 31.971 1.00 28.44 H new ATOM 1762 N ASP D 922 -11.962 28.508 36.358 1.00 38.02 N ATOM 1763 CA ASP D 922 -12.326 28.504 37.773 1.00 45.93 C ATOM 1764 C ASP D 922 -12.232 27.100 38.363 1.00 31.02 C ATOM 1765 O ASP D 922 -11.812 26.926 39.505 1.00 41.51 O ATOM 1766 CB ASP D 922 -13.741 29.056 37.976 1.00 33.90 C ATOM 1767 CG ASP D 922 -13.826 30.554 37.755 1.00 35.49 C ATOM 1768 OD1 ASP D 922 -12.782 31.235 37.853 1.00 36.76 O ATOM 1769 OD2 ASP D 922 -14.941 31.053 37.496 1.00 33.74 O1+ ATOM 0 H ASP D 922 -12.607 28.711 35.827 1.00 38.02 H new ATOM 0 HA ASP D 922 -11.695 29.078 38.236 1.00 45.93 H new ATOM 0 HB2 ASP D 922 -14.349 28.609 37.366 1.00 33.90 H new ATOM 0 HB3 ASP D 922 -14.038 28.849 38.876 1.00 33.90 H new ATOM 1770 N ASP D 923 -12.629 26.105 37.576 1.00 34.51 N ATOM 1771 CA ASP D 923 -12.577 24.714 38.012 1.00 32.69 C ATOM 1772 C ASP D 923 -11.139 24.253 38.213 1.00 40.01 C ATOM 1773 O ASP D 923 -10.811 23.635 39.225 1.00 45.90 O ATOM 1774 CB ASP D 923 -13.278 23.806 37.000 1.00 35.18 C ATOM 1775 CG ASP D 923 -14.769 24.067 36.914 1.00 51.35 C ATOM 1776 OD1 ASP D 923 -15.361 24.493 37.928 1.00 44.38 O ATOM 1777 OD2 ASP D 923 -15.351 23.839 35.832 1.00 52.02 O1+ ATOM 0 H ASP D 923 -12.934 26.216 36.780 1.00 34.51 H new ATOM 0 HA ASP D 923 -13.039 24.655 38.863 1.00 32.69 H new ATOM 0 HB2 ASP D 923 -12.880 23.935 36.125 1.00 35.18 H new ATOM 0 HB3 ASP D 923 -13.129 22.879 37.245 1.00 35.18 H new ATOM 1778 N VAL D 924 -10.285 24.558 37.241 1.00 38.66 N ATOM 1779 CA VAL D 924 -8.874 24.200 37.313 1.00 39.59 C ATOM 1780 C VAL D 924 -8.192 24.920 38.475 1.00 46.48 C ATOM 1781 O VAL D 924 -7.314 24.358 39.134 1.00 43.69 O ATOM 1782 CB VAL D 924 -8.157 24.518 35.983 1.00 33.39 C ATOM 1783 CG1 VAL D 924 -6.651 24.619 36.171 1.00 28.89 C ATOM 1784 CG2 VAL D 924 -8.496 23.462 34.950 1.00 34.62 C ATOM 0 H VAL D 924 -10.507 24.977 36.524 1.00 38.66 H new ATOM 0 HA VAL D 924 -8.815 23.244 37.468 1.00 39.59 H new ATOM 0 HB VAL D 924 -8.469 25.381 35.670 1.00 33.39 H new ATOM 0 HG11 VAL D 924 -6.231 24.819 35.320 1.00 28.89 H new ATOM 0 HG12 VAL D 924 -6.450 25.326 36.804 1.00 28.89 H new ATOM 0 HG13 VAL D 924 -6.310 23.776 36.509 1.00 28.89 H new ATOM 0 HG21 VAL D 924 -8.043 23.667 34.117 1.00 34.62 H new ATOM 0 HG22 VAL D 924 -8.208 22.593 35.269 1.00 34.62 H new ATOM 0 HG23 VAL D 924 -9.455 23.450 34.802 1.00 34.62 H new ATOM 1785 N TRP D 925 -8.615 26.154 38.738 1.00 36.58 N ATOM 1786 CA TRP D 925 -8.084 26.912 39.864 1.00 37.53 C ATOM 1787 C TRP D 925 -8.309 26.169 41.175 1.00 40.07 C ATOM 1788 O TRP D 925 -7.383 26.004 41.966 1.00 52.73 O ATOM 1789 CB TRP D 925 -8.723 28.299 39.939 1.00 42.67 C ATOM 1790 CG TRP D 925 -8.206 29.117 41.087 1.00 49.65 C ATOM 1791 CD1 TRP D 925 -7.136 29.964 41.072 1.00 52.36 C ATOM 1792 CD2 TRP D 925 -8.728 29.157 42.420 1.00 41.09 C ATOM 1793 NE1 TRP D 925 -6.961 30.530 42.310 1.00 34.29 N ATOM 1794 CE2 TRP D 925 -7.926 30.052 43.156 1.00 45.75 C ATOM 1795 CE3 TRP D 925 -9.797 28.526 43.063 1.00 44.98 C ATOM 1796 CZ2 TRP D 925 -8.159 30.331 44.502 1.00 45.80 C ATOM 1797 CZ3 TRP D 925 -10.026 28.803 44.398 1.00 49.07 C ATOM 1798 CH2 TRP D 925 -9.212 29.697 45.103 1.00 49.13 C ATOM 0 H TRP D 925 -9.209 26.569 38.275 1.00 36.58 H new ATOM 0 HA TRP D 925 -7.130 27.015 39.723 1.00 37.53 H new ATOM 0 HB2 TRP D 925 -8.556 28.773 39.109 1.00 42.67 H new ATOM 0 HB3 TRP D 925 -9.685 28.203 40.023 1.00 42.67 H new ATOM 0 HD1 TRP D 925 -6.602 30.133 40.330 1.00 52.36 H new ATOM 0 HE1 TRP D 925 -6.346 31.093 42.520 1.00 34.29 H new ATOM 0 HE3 TRP D 925 -10.343 27.931 42.602 1.00 44.98 H new ATOM 0 HZ2 TRP D 925 -7.620 30.925 44.973 1.00 45.80 H new ATOM 0 HZ3 TRP D 925 -10.734 28.388 44.836 1.00 49.07 H new ATOM 0 HH2 TRP D 925 -9.391 29.864 46.000 1.00 49.13 H new ATOM 1799 N ALA D 926 -9.540 25.718 41.393 1.00 36.61 N ATOM 1800 CA ALA D 926 -9.892 24.996 42.611 1.00 37.95 C ATOM 1801 C ALA D 926 -9.124 23.684 42.712 1.00 35.44 C ATOM 1802 O ALA D 926 -8.801 23.222 43.806 1.00 48.61 O ATOM 1803 CB ALA D 926 -11.390 24.738 42.660 1.00 32.06 C ATOM 0 H ALA D 926 -10.192 25.821 40.842 1.00 36.61 H new ATOM 0 HA ALA D 926 -9.645 25.548 43.369 1.00 37.95 H new ATOM 0 HB1 ALA D 926 -11.609 24.258 43.474 1.00 32.06 H new ATOM 0 HB2 ALA D 926 -11.865 25.584 42.646 1.00 32.06 H new ATOM 0 HB3 ALA D 926 -11.652 24.207 41.892 1.00 32.06 H new ATOM 1804 N PHE D 927 -8.834 23.091 41.560 1.00 38.05 N ATOM 1805 CA PHE D 927 -8.091 21.838 41.503 1.00 43.54 C ATOM 1806 C PHE D 927 -6.663 22.012 42.018 1.00 37.58 C ATOM 1807 O PHE D 927 -6.216 21.268 42.890 1.00 45.22 O ATOM 1808 CB PHE D 927 -8.080 21.298 40.072 1.00 51.12 C ATOM 1809 CG PHE D 927 -7.290 20.033 39.904 1.00 56.83 C ATOM 1810 CD1 PHE D 927 -7.815 18.814 40.302 1.00 54.33 C ATOM 1811 CD2 PHE D 927 -6.027 20.062 39.337 1.00 43.68 C ATOM 1812 CE1 PHE D 927 -7.091 17.649 40.145 1.00 68.29 C ATOM 1813 CE2 PHE D 927 -5.297 18.899 39.176 1.00 53.60 C ATOM 1814 CZ PHE D 927 -5.830 17.691 39.581 1.00 70.69 C ATOM 0 H PHE D 927 -9.061 23.402 40.791 1.00 38.05 H new ATOM 0 HA PHE D 927 -8.537 21.198 42.080 1.00 43.54 H new ATOM 0 HB2 PHE D 927 -8.994 21.138 39.789 1.00 51.12 H new ATOM 0 HB3 PHE D 927 -7.716 21.977 39.483 1.00 51.12 H new ATOM 0 HD1 PHE D 927 -8.664 18.780 40.679 1.00 54.33 H new ATOM 0 HD2 PHE D 927 -5.666 20.873 39.061 1.00 43.68 H new ATOM 0 HE1 PHE D 927 -7.452 16.837 40.419 1.00 68.29 H new ATOM 0 HE2 PHE D 927 -4.449 18.930 38.796 1.00 53.60 H new ATOM 0 HZ PHE D 927 -5.341 16.907 39.474 1.00 70.69 H new ATOM 1815 N ILE D 928 -5.955 22.998 41.475 1.00 39.08 N ATOM 1816 CA ILE D 928 -4.583 23.277 41.885 1.00 35.97 C ATOM 1817 C ILE D 928 -4.549 23.824 43.310 1.00 41.51 C ATOM 1818 O ILE D 928 -3.637 23.525 44.081 1.00 44.70 O ATOM 1819 CB ILE D 928 -3.900 24.281 40.930 1.00 33.84 C ATOM 1820 CG1 ILE D 928 -3.961 23.774 39.488 1.00 36.97 C ATOM 1821 CG2 ILE D 928 -2.457 24.525 41.343 1.00 30.16 C ATOM 1822 CD1 ILE D 928 -3.218 22.476 39.262 1.00 28.39 C ATOM 0 H ILE D 928 -6.255 23.521 40.862 1.00 39.08 H new ATOM 0 HA ILE D 928 -4.095 22.439 41.850 1.00 35.97 H new ATOM 0 HB ILE D 928 -4.379 25.123 40.984 1.00 33.84 H new ATOM 0 HG12 ILE D 928 -4.890 23.653 39.236 1.00 36.97 H new ATOM 0 HG13 ILE D 928 -3.594 24.453 38.900 1.00 36.97 H new ATOM 0 HG21 ILE D 928 -2.048 25.157 40.731 1.00 30.16 H new ATOM 0 HG22 ILE D 928 -2.434 24.886 42.243 1.00 30.16 H new ATOM 0 HG23 ILE D 928 -1.967 23.688 41.318 1.00 30.16 H new ATOM 0 HD11 ILE D 928 -3.298 22.215 38.331 1.00 28.39 H new ATOM 0 HD12 ILE D 928 -2.281 22.596 39.484 1.00 28.39 H new ATOM 0 HD13 ILE D 928 -3.597 21.783 39.825 1.00 28.39 H new ATOM 1823 N HIS D 929 -5.561 24.610 43.659 1.00 35.51 N ATOM 1824 CA HIS D 929 -5.643 25.222 44.981 1.00 39.40 C ATOM 1825 C HIS D 929 -5.919 24.191 46.076 1.00 45.18 C ATOM 1826 O HIS D 929 -5.778 24.481 47.263 1.00 45.02 O ATOM 1827 CB HIS D 929 -6.725 26.305 44.991 1.00 47.66 C ATOM 1828 CG HIS D 929 -6.814 27.066 46.276 1.00 52.16 C ATOM 1829 ND1 HIS D 929 -7.611 26.662 47.327 1.00 45.02 N ATOM 1830 CD2 HIS D 929 -6.212 28.210 46.680 1.00 43.49 C ATOM 1831 CE1 HIS D 929 -7.492 27.521 48.323 1.00 63.89 C ATOM 1832 NE2 HIS D 929 -6.649 28.470 47.956 1.00 65.93 N ATOM 0 H HIS D 929 -6.218 24.804 43.139 1.00 35.51 H new ATOM 0 HA HIS D 929 -4.780 25.623 45.171 1.00 39.40 H new ATOM 0 HB2 HIS D 929 -6.552 26.928 44.268 1.00 47.66 H new ATOM 0 HB3 HIS D 929 -7.584 25.892 44.810 1.00 47.66 H new ATOM 0 HD2 HIS D 929 -5.614 28.724 46.186 1.00 43.49 H new ATOM 0 HE1 HIS D 929 -7.927 27.467 49.143 1.00 63.89 H new ATOM 0 HE2 HIS D 929 -6.412 29.142 48.438 1.00 65.93 H new ATOM 1833 N SER D 930 -6.311 22.986 45.677 1.00 41.81 N ATOM 1834 CA SER D 930 -6.569 21.921 46.639 1.00 38.40 C ATOM 1835 C SER D 930 -5.283 21.175 46.972 1.00 48.58 C ATOM 1836 O SER D 930 -5.234 20.394 47.921 1.00 52.69 O ATOM 1837 CB SER D 930 -7.618 20.946 46.099 1.00 50.15 C ATOM 1838 OG SER D 930 -7.134 20.255 44.958 1.00 58.50 O ATOM 0 H SER D 930 -6.433 22.765 44.855 1.00 41.81 H new ATOM 0 HA SER D 930 -6.912 22.326 47.451 1.00 38.40 H new ATOM 0 HB2 SER D 930 -7.857 20.308 46.790 1.00 50.15 H new ATOM 0 HB3 SER D 930 -8.426 21.431 45.869 1.00 50.15 H new ATOM 0 HG SER D 930 -6.681 20.780 44.484 1.00 58.50 H new ATOM 1839 N LEU D 931 -4.242 21.423 46.187 1.00 50.68 N ATOM 1840 CA LEU D 931 -2.964 20.747 46.380 1.00 50.11 C ATOM 1841 C LEU D 931 -2.112 21.488 47.407 1.00 45.12 C ATOM 1842 O LEU D 931 -2.088 22.720 47.423 1.00 42.88 O ATOM 1843 CB LEU D 931 -2.215 20.630 45.051 1.00 51.38 C ATOM 1844 CG LEU D 931 -3.032 20.156 43.846 1.00 62.01 C ATOM 1845 CD1 LEU D 931 -2.140 19.969 42.623 1.00 36.99 C ATOM 1846 CD2 LEU D 931 -3.793 18.877 44.167 1.00 56.21 C ATOM 0 H LEU D 931 -4.254 21.982 45.533 1.00 50.68 H new ATOM 0 HA LEU D 931 -3.140 19.854 46.716 1.00 50.11 H new ATOM 0 HB2 LEU D 931 -1.836 21.497 44.839 1.00 51.38 H new ATOM 0 HB3 LEU D 931 -1.472 20.018 45.174 1.00 51.38 H new ATOM 0 HG LEU D 931 -3.684 20.844 43.639 1.00 62.01 H new ATOM 0 HD11 LEU D 931 -2.677 19.669 41.873 1.00 36.99 H new ATOM 0 HD12 LEU D 931 -1.716 20.812 42.400 1.00 36.99 H new ATOM 0 HD13 LEU D 931 -1.459 19.307 42.817 1.00 36.99 H new ATOM 0 HD21 LEU D 931 -4.301 18.599 43.389 1.00 56.21 H new ATOM 0 HD22 LEU D 931 -3.165 18.179 44.409 1.00 56.21 H new ATOM 0 HD23 LEU D 931 -4.398 19.038 44.908 1.00 56.21 H new ATOM 1847 N PRO D 932 -1.413 20.734 48.272 1.00 57.13 N ATOM 1848 CA PRO D 932 -0.574 21.289 49.341 1.00 47.65 C ATOM 1849 C PRO D 932 0.499 22.239 48.818 1.00 52.93 C ATOM 1850 O PRO D 932 1.357 21.826 48.037 1.00 60.17 O ATOM 1851 CB PRO D 932 0.065 20.045 49.967 1.00 37.28 C ATOM 1852 CG PRO D 932 -0.870 18.939 49.648 1.00 56.34 C ATOM 1853 CD PRO D 932 -1.419 19.261 48.290 1.00 58.02 C ATOM 0 HA PRO D 932 -1.091 21.823 49.965 1.00 47.65 H new ATOM 0 HB2 PRO D 932 0.947 19.878 49.598 1.00 37.28 H new ATOM 0 HB3 PRO D 932 0.174 20.149 50.925 1.00 37.28 H new ATOM 0 HG2 PRO D 932 -0.412 18.084 49.646 1.00 56.34 H new ATOM 0 HG3 PRO D 932 -1.579 18.880 50.307 1.00 56.34 H new ATOM 0 HD2 PRO D 932 -0.868 18.891 47.583 1.00 58.02 H new ATOM 0 HD3 PRO D 932 -2.313 18.904 48.170 1.00 58.02 H new ATOM 1854 N GLY D 933 0.440 23.498 49.243 1.00 45.48 N ATOM 1855 CA GLY D 933 1.429 24.488 48.855 1.00 44.02 C ATOM 1856 C GLY D 933 1.291 24.967 47.423 1.00 59.76 C ATOM 1857 O GLY D 933 2.138 25.713 46.929 1.00 57.86 O ATOM 0 H GLY D 933 -0.175 23.798 49.764 1.00 45.48 H new ATOM 0 HA2 GLY D 933 1.360 25.251 49.450 1.00 44.02 H new ATOM 0 HA3 GLY D 933 2.315 24.112 48.977 1.00 44.02 H new ATOM 1858 N CYS D 934 0.223 24.541 46.756 1.00 57.38 N ATOM 1859 CA CYS D 934 -0.019 24.928 45.371 1.00 51.76 C ATOM 1860 C CYS D 934 -1.098 25.997 45.264 1.00 54.21 C ATOM 1861 O CYS D 934 -1.672 26.206 44.197 1.00 62.51 O ATOM 1862 CB CYS D 934 -0.420 23.713 44.534 1.00 46.30 C ATOM 1863 SG CYS D 934 0.859 22.458 44.344 1.00 42.40 S ATOM 0 H CYS D 934 -0.377 24.024 47.090 1.00 57.38 H new ATOM 0 HA CYS D 934 0.810 25.297 45.029 1.00 51.76 H new ATOM 0 HB2 CYS D 934 -1.199 23.302 44.939 1.00 46.30 H new ATOM 0 HB3 CYS D 934 -0.687 24.019 43.653 1.00 46.30 H new ATOM 0 HG CYS D 934 0.438 21.555 43.675 1.00 42.40 H new ATOM 1864 N GLN D 935 -1.365 26.679 46.372 1.00 53.53 N ATOM 1865 CA GLN D 935 -2.448 27.654 46.418 1.00 57.47 C ATOM 1866 C GLN D 935 -2.051 28.994 45.807 1.00 64.58 C ATOM 1867 O GLN D 935 -2.906 29.831 45.520 1.00 87.30 O ATOM 1868 CB GLN D 935 -2.921 27.847 47.860 1.00 44.06 C ATOM 1869 CG GLN D 935 -3.718 26.667 48.393 1.00 51.24 C ATOM 1870 CD GLN D 935 -3.134 26.084 49.660 1.00 57.26 C ATOM 1871 OE1 GLN D 935 -3.239 26.674 50.735 1.00 89.28 O ATOM 1872 NE2 GLN D 935 -2.515 24.915 49.541 1.00 56.82 N ATOM 0 H GLN D 935 -0.930 26.592 47.109 1.00 53.53 H new ATOM 0 HA GLN D 935 -3.176 27.302 45.882 1.00 57.47 H new ATOM 0 HB2 GLN D 935 -2.150 27.993 48.430 1.00 44.06 H new ATOM 0 HB3 GLN D 935 -3.467 28.647 47.911 1.00 44.06 H new ATOM 0 HG2 GLN D 935 -4.630 26.950 48.563 1.00 51.24 H new ATOM 0 HG3 GLN D 935 -3.757 25.976 47.713 1.00 51.24 H new ATOM 0 HE21 GLN D 935 -2.462 24.533 48.772 1.00 56.82 H new ATOM 0 HE22 GLN D 935 -2.167 24.540 50.233 1.00 56.82 H new ATOM 1873 N ASP D 936 -0.755 29.189 45.595 1.00 53.40 N ATOM 1874 CA ASP D 936 -0.268 30.415 44.974 1.00 65.05 C ATOM 1875 C ASP D 936 -0.185 30.263 43.459 1.00 55.41 C ATOM 1876 O ASP D 936 -0.581 31.159 42.714 1.00 61.67 O ATOM 1877 CB ASP D 936 1.097 30.803 45.540 1.00 78.07 C ATOM 1878 CG ASP D 936 1.043 32.071 46.369 1.00 83.70 C ATOM 1879 OD1 ASP D 936 -0.013 32.337 46.982 1.00 75.85 O ATOM 1880 OD2 ASP D 936 2.054 32.805 46.401 1.00 90.49 O1+ ATOM 0 H ASP D 936 -0.141 28.624 45.803 1.00 53.40 H new ATOM 0 HA ASP D 936 -0.900 31.122 45.177 1.00 65.05 H new ATOM 0 HB2 ASP D 936 1.435 30.077 46.087 1.00 78.07 H new ATOM 0 HB3 ASP D 936 1.724 30.924 44.810 1.00 78.07 H new ATOM 1881 N ILE D 937 0.333 29.125 43.011 1.00 43.36 N ATOM 1882 CA ILE D 937 0.419 28.832 41.587 1.00 45.57 C ATOM 1883 C ILE D 937 -0.986 28.676 41.003 1.00 46.57 C ATOM 1884 O ILE D 937 -1.222 29.010 39.841 1.00 50.46 O ATOM 1885 CB ILE D 937 1.277 27.564 41.329 1.00 49.99 C ATOM 1886 CG1 ILE D 937 1.046 27.003 39.924 1.00 61.08 C ATOM 1887 CG2 ILE D 937 0.975 26.495 42.352 1.00 47.27 C ATOM 1888 CD1 ILE D 937 1.459 27.933 38.810 1.00 83.50 C ATOM 0 H ILE D 937 0.642 28.505 43.520 1.00 43.36 H new ATOM 0 HA ILE D 937 0.858 29.574 41.143 1.00 45.57 H new ATOM 0 HB ILE D 937 2.207 27.829 41.406 1.00 49.99 H new ATOM 0 HG12 ILE D 937 1.536 26.170 39.835 1.00 61.08 H new ATOM 0 HG13 ILE D 937 0.105 26.791 39.822 1.00 61.08 H new ATOM 0 HG21 ILE D 937 1.520 25.713 42.174 1.00 47.27 H new ATOM 0 HG22 ILE D 937 1.174 26.831 43.240 1.00 47.27 H new ATOM 0 HG23 ILE D 937 0.037 26.253 42.301 1.00 47.27 H new ATOM 0 HD11 ILE D 937 1.284 27.511 37.954 1.00 83.50 H new ATOM 0 HD12 ILE D 937 0.953 28.758 38.873 1.00 83.50 H new ATOM 0 HD13 ILE D 937 2.406 28.128 38.886 1.00 83.50 H new ATOM 1889 N ALA D 938 -1.921 28.199 41.820 1.00 42.37 N ATOM 1890 CA ALA D 938 -3.317 28.078 41.403 1.00 35.71 C ATOM 1891 C ALA D 938 -3.815 29.384 40.794 1.00 47.35 C ATOM 1892 O ALA D 938 -4.507 29.382 39.777 1.00 49.15 O ATOM 1893 CB ALA D 938 -4.192 27.672 42.579 1.00 34.71 C ATOM 0 H ALA D 938 -1.767 27.938 42.625 1.00 42.37 H new ATOM 0 HA ALA D 938 -3.371 27.386 40.725 1.00 35.71 H new ATOM 0 HB1 ALA D 938 -5.114 27.596 42.286 1.00 34.71 H new ATOM 0 HB2 ALA D 938 -3.892 26.817 42.926 1.00 34.71 H new ATOM 0 HB3 ALA D 938 -4.129 28.343 43.276 1.00 34.71 H new ATOM 1894 N ASP D 939 -3.433 30.498 41.409 1.00 49.44 N ATOM 1895 CA ASP D 939 -3.773 31.818 40.895 1.00 42.20 C ATOM 1896 C ASP D 939 -3.089 32.079 39.558 1.00 39.39 C ATOM 1897 O ASP D 939 -3.668 32.697 38.665 1.00 39.23 O ATOM 1898 CB ASP D 939 -3.385 32.901 41.903 1.00 38.81 C ATOM 1899 CG ASP D 939 -4.035 32.696 43.255 1.00 61.24 C ATOM 1900 OD1 ASP D 939 -5.021 31.933 43.328 1.00 58.42 O ATOM 1901 OD2 ASP D 939 -3.565 33.300 44.242 1.00 58.60 O1+ ATOM 0 H ASP D 939 -2.971 30.509 42.134 1.00 49.44 H new ATOM 0 HA ASP D 939 -4.733 31.846 40.757 1.00 42.20 H new ATOM 0 HB2 ASP D 939 -2.421 32.909 42.009 1.00 38.81 H new ATOM 0 HB3 ASP D 939 -3.639 33.769 41.554 1.00 38.81 H new ATOM 1902 N GLU D 940 -1.855 31.604 39.425 1.00 42.02 N ATOM 1903 CA GLU D 940 -1.107 31.774 38.187 1.00 40.24 C ATOM 1904 C GLU D 940 -1.684 30.876 37.098 1.00 39.87 C ATOM 1905 O GLU D 940 -1.618 31.200 35.912 1.00 49.97 O ATOM 1906 CB GLU D 940 0.378 31.475 38.407 1.00 28.69 C ATOM 1907 CG GLU D 940 1.257 31.728 37.189 1.00 54.75 C ATOM 1908 CD GLU D 940 1.243 33.180 36.738 1.00 54.09 C ATOM 1909 OE1 GLU D 940 0.915 34.065 37.558 1.00 73.56 O ATOM 1910 OE2 GLU D 940 1.563 33.438 35.560 1.00 46.16 O1+ ATOM 0 H GLU D 940 -1.433 31.179 40.042 1.00 42.02 H new ATOM 0 HA GLU D 940 -1.187 32.697 37.900 1.00 40.24 H new ATOM 0 HB2 GLU D 940 0.700 32.018 39.143 1.00 28.69 H new ATOM 0 HB3 GLU D 940 0.474 30.548 38.675 1.00 28.69 H new ATOM 0 HG2 GLU D 940 2.168 31.467 37.394 1.00 54.75 H new ATOM 0 HG3 GLU D 940 0.958 31.165 36.458 1.00 54.75 H new ATOM 1911 N PHE D 941 -2.255 29.749 37.508 1.00 39.11 N ATOM 1912 CA PHE D 941 -2.964 28.876 36.584 1.00 27.51 C ATOM 1913 C PHE D 941 -4.214 29.573 36.068 1.00 39.42 C ATOM 1914 O PHE D 941 -4.580 29.433 34.901 1.00 45.60 O ATOM 1915 CB PHE D 941 -3.337 27.555 37.260 1.00 34.51 C ATOM 1916 CG PHE D 941 -2.460 26.403 36.865 1.00 42.20 C ATOM 1917 CD1 PHE D 941 -1.150 26.332 37.301 1.00 42.05 C ATOM 1918 CD2 PHE D 941 -2.950 25.384 36.067 1.00 33.97 C ATOM 1919 CE1 PHE D 941 -0.340 25.274 36.942 1.00 37.53 C ATOM 1920 CE2 PHE D 941 -2.145 24.322 35.705 1.00 36.85 C ATOM 1921 CZ PHE D 941 -0.837 24.267 36.144 1.00 38.40 C ATOM 0 H PHE D 941 -2.242 29.472 38.322 1.00 39.11 H new ATOM 0 HA PHE D 941 -2.378 28.679 35.837 1.00 27.51 H new ATOM 0 HB2 PHE D 941 -3.292 27.670 38.222 1.00 34.51 H new ATOM 0 HB3 PHE D 941 -4.257 27.339 37.043 1.00 34.51 H new ATOM 0 HD1 PHE D 941 -0.810 27.006 37.844 1.00 42.05 H new ATOM 0 HD2 PHE D 941 -3.831 25.415 35.771 1.00 33.97 H new ATOM 0 HE1 PHE D 941 0.541 25.241 37.239 1.00 37.53 H new ATOM 0 HE2 PHE D 941 -2.484 23.644 35.166 1.00 36.85 H new ATOM 0 HZ PHE D 941 -0.293 23.552 35.902 1.00 38.40 H new ATOM 1922 N ARG D 942 -4.863 30.329 36.946 1.00 30.74 N ATOM 1923 CA ARG D 942 -6.080 31.043 36.585 1.00 38.52 C ATOM 1924 C ARG D 942 -5.765 32.300 35.786 1.00 43.44 C ATOM 1925 O ARG D 942 -6.471 32.633 34.834 1.00 43.45 O ATOM 1926 CB ARG D 942 -6.883 31.400 37.837 1.00 35.69 C ATOM 1927 CG ARG D 942 -8.185 32.132 37.556 1.00 29.21 C ATOM 1928 CD ARG D 942 -9.055 32.196 38.797 1.00 36.92 C ATOM 1929 NE ARG D 942 -8.392 32.894 39.895 1.00 58.35 N ATOM 1930 CZ ARG D 942 -8.847 32.926 41.143 1.00 61.12 C ATOM 1931 NH1 ARG D 942 -9.967 32.292 41.458 1.00 60.30 N1+ ATOM 1932 NH2 ARG D 942 -8.178 33.588 42.078 1.00 51.98 N ATOM 0 H ARG D 942 -4.613 30.442 37.761 1.00 30.74 H new ATOM 0 HA ARG D 942 -6.614 30.456 36.027 1.00 38.52 H new ATOM 0 HB2 ARG D 942 -7.081 30.585 38.325 1.00 35.69 H new ATOM 0 HB3 ARG D 942 -6.333 31.951 38.416 1.00 35.69 H new ATOM 0 HG2 ARG D 942 -7.994 33.031 37.245 1.00 29.21 H new ATOM 0 HG3 ARG D 942 -8.665 31.682 36.844 1.00 29.21 H new ATOM 0 HD2 ARG D 942 -9.887 32.646 38.584 1.00 36.92 H new ATOM 0 HD3 ARG D 942 -9.283 31.296 39.078 1.00 36.92 H new ATOM 0 HE ARG D 942 -7.660 33.311 39.723 1.00 58.35 H new ATOM 0 HH11 ARG D 942 -10.400 31.859 40.854 1.00 60.30 H new ATOM 0 HH12 ARG D 942 -10.261 32.313 42.266 1.00 60.30 H new ATOM 0 HH21 ARG D 942 -7.449 33.997 41.877 1.00 51.98 H new ATOM 0 HH22 ARG D 942 -8.474 33.608 42.885 1.00 51.98 H new ATOM 1933 N ALA D 943 -4.698 32.991 36.174 1.00 32.19 N ATOM 1934 CA ALA D 943 -4.300 34.228 35.510 1.00 36.30 C ATOM 1935 C ALA D 943 -3.953 33.993 34.042 1.00 44.16 C ATOM 1936 O ALA D 943 -4.196 34.851 33.194 1.00 45.40 O ATOM 1937 CB ALA D 943 -3.123 34.860 36.236 1.00 29.93 C ATOM 0 H ALA D 943 -4.187 32.758 36.825 1.00 32.19 H new ATOM 0 HA ALA D 943 -5.056 34.836 35.540 1.00 36.30 H new ATOM 0 HB1 ALA D 943 -2.868 35.681 35.786 1.00 29.93 H new ATOM 0 HB2 ALA D 943 -3.376 35.059 37.151 1.00 29.93 H new ATOM 0 HB3 ALA D 943 -2.373 34.244 36.235 1.00 29.93 H new ATOM 1938 N GLN D 944 -3.389 32.826 33.750 1.00 56.72 N ATOM 1939 CA GLN D 944 -2.998 32.479 32.388 1.00 42.22 C ATOM 1940 C GLN D 944 -4.127 31.780 31.640 1.00 40.73 C ATOM 1941 O GLN D 944 -3.928 31.266 30.538 1.00 43.31 O ATOM 1942 CB GLN D 944 -1.750 31.594 32.402 1.00 37.16 C ATOM 1943 CG GLN D 944 -0.519 32.284 32.960 1.00 47.05 C ATOM 1944 CD GLN D 944 -0.110 33.495 32.142 1.00 53.57 C ATOM 1945 OE1 GLN D 944 -0.130 33.465 30.911 1.00 54.88 O ATOM 1946 NE2 GLN D 944 0.259 34.573 32.825 1.00 45.60 N ATOM 0 H GLN D 944 -3.223 32.215 34.332 1.00 56.72 H new ATOM 0 HA GLN D 944 -2.798 33.305 31.921 1.00 42.22 H new ATOM 0 HB2 GLN D 944 -1.932 30.800 32.928 1.00 37.16 H new ATOM 0 HB3 GLN D 944 -1.563 31.298 31.497 1.00 37.16 H new ATOM 0 HG2 GLN D 944 -0.692 32.558 33.874 1.00 47.05 H new ATOM 0 HG3 GLN D 944 0.217 31.653 32.988 1.00 47.05 H new ATOM 0 HE21 GLN D 944 0.261 34.558 33.685 1.00 45.60 H new ATOM 0 HE22 GLN D 944 0.496 35.286 32.407 1.00 45.60 H new ATOM 1947 N GLU D 945 -5.308 31.765 32.254 1.00 33.50 N ATOM 1948 CA GLU D 945 -6.504 31.183 31.653 1.00 35.08 C ATOM 1949 C GLU D 945 -6.307 29.718 31.276 1.00 33.74 C ATOM 1950 O GLU D 945 -6.579 29.315 30.145 1.00 38.17 O ATOM 1951 CB GLU D 945 -6.928 31.991 30.422 1.00 36.51 C ATOM 1952 CG GLU D 945 -7.176 33.463 30.706 1.00 31.02 C ATOM 1953 CD GLU D 945 -7.681 34.217 29.492 1.00 46.34 C ATOM 1954 OE1 GLU D 945 -7.792 33.604 28.409 1.00 53.79 O ATOM 1955 OE2 GLU D 945 -7.968 35.426 29.623 1.00 74.20 O1+ ATOM 0 H GLU D 945 -5.438 32.095 33.037 1.00 33.50 H new ATOM 0 HA GLU D 945 -7.207 31.219 32.321 1.00 35.08 H new ATOM 0 HB2 GLU D 945 -6.240 31.913 29.743 1.00 36.51 H new ATOM 0 HB3 GLU D 945 -7.736 31.601 30.053 1.00 36.51 H new ATOM 0 HG2 GLU D 945 -7.822 33.545 31.425 1.00 31.02 H new ATOM 0 HG3 GLU D 945 -6.353 33.872 31.016 1.00 31.02 H new ATOM 1956 N ILE D 946 -5.830 28.926 32.228 1.00 33.85 N ATOM 1957 CA ILE D 946 -5.673 27.494 32.010 1.00 30.29 C ATOM 1958 C ILE D 946 -6.949 26.756 32.392 1.00 28.80 C ATOM 1959 O ILE D 946 -7.241 26.582 33.574 1.00 33.51 O ATOM 1960 CB ILE D 946 -4.491 26.923 32.813 1.00 23.36 C ATOM 1961 CG1 ILE D 946 -3.182 27.574 32.361 1.00 31.33 C ATOM 1962 CG2 ILE D 946 -4.420 25.411 32.654 1.00 29.74 C ATOM 1963 CD1 ILE D 946 -1.955 27.037 33.068 1.00 24.50 C ATOM 0 H ILE D 946 -5.591 29.198 33.008 1.00 33.85 H new ATOM 0 HA ILE D 946 -5.491 27.364 31.066 1.00 30.29 H new ATOM 0 HB ILE D 946 -4.627 27.124 33.752 1.00 23.36 H new ATOM 0 HG12 ILE D 946 -3.078 27.442 31.406 1.00 31.33 H new ATOM 0 HG13 ILE D 946 -3.238 28.531 32.511 1.00 31.33 H new ATOM 0 HG21 ILE D 946 -3.671 25.066 33.165 1.00 29.74 H new ATOM 0 HG22 ILE D 946 -5.243 25.012 32.978 1.00 29.74 H new ATOM 0 HG23 ILE D 946 -4.301 25.189 31.717 1.00 29.74 H new ATOM 0 HD11 ILE D 946 -1.165 27.491 32.735 1.00 24.50 H new ATOM 0 HD12 ILE D 946 -2.038 27.191 34.022 1.00 24.50 H new ATOM 0 HD13 ILE D 946 -1.875 26.085 32.900 1.00 24.50 H new ATOM 1964 N ASP D 947 -7.716 26.340 31.389 1.00 34.11 N ATOM 1965 CA ASP D 947 -8.920 25.556 31.632 1.00 33.07 C ATOM 1966 C ASP D 947 -8.582 24.071 31.633 1.00 24.99 C ATOM 1967 O ASP D 947 -7.411 23.698 31.620 1.00 34.15 O ATOM 1968 CB ASP D 947 -9.998 25.862 30.589 1.00 35.17 C ATOM 1969 CG ASP D 947 -9.472 25.815 29.168 1.00 40.60 C ATOM 1970 OD1 ASP D 947 -8.314 25.396 28.968 1.00 35.58 O ATOM 1971 OD2 ASP D 947 -10.226 26.195 28.247 1.00 44.69 O1+ ATOM 0 H ASP D 947 -7.556 26.502 30.560 1.00 34.11 H new ATOM 0 HA ASP D 947 -9.273 25.799 32.502 1.00 33.07 H new ATOM 0 HB2 ASP D 947 -10.723 25.224 30.682 1.00 35.17 H new ATOM 0 HB3 ASP D 947 -10.370 26.741 30.763 1.00 35.17 H new ATOM 1972 N GLY D 948 -9.610 23.230 31.650 1.00 31.27 N ATOM 1973 CA GLY D 948 -9.419 21.793 31.708 1.00 33.12 C ATOM 1974 C GLY D 948 -8.658 21.226 30.527 1.00 38.59 C ATOM 1975 O GLY D 948 -7.929 20.244 30.665 1.00 42.20 O ATOM 0 H GLY D 948 -10.433 23.478 31.628 1.00 31.27 H new ATOM 0 HA2 GLY D 948 -8.944 21.572 32.524 1.00 33.12 H new ATOM 0 HA3 GLY D 948 -10.287 21.362 31.759 1.00 33.12 H new ATOM 1976 N GLN D 949 -8.827 21.844 29.363 1.00 45.75 N ATOM 1977 CA GLN D 949 -8.137 21.400 28.156 1.00 40.13 C ATOM 1978 C GLN D 949 -6.655 21.737 28.199 1.00 36.44 C ATOM 1979 O GLN D 949 -5.809 20.879 27.951 1.00 39.09 O ATOM 1980 CB GLN D 949 -8.772 22.024 26.914 1.00 41.90 C ATOM 1981 CG GLN D 949 -10.149 21.487 26.591 1.00 54.78 C ATOM 1982 CD GLN D 949 -10.354 21.307 25.104 1.00 59.94 C ATOM 1983 OE1 GLN D 949 -10.790 22.225 24.409 1.00 81.89 O ATOM 1984 NE2 GLN D 949 -10.032 20.119 24.603 1.00 54.22 N ATOM 0 H GLN D 949 -9.339 22.526 29.250 1.00 45.75 H new ATOM 0 HA GLN D 949 -8.226 20.435 28.112 1.00 40.13 H new ATOM 0 HB2 GLN D 949 -8.831 22.984 27.040 1.00 41.90 H new ATOM 0 HB3 GLN D 949 -8.189 21.873 26.153 1.00 41.90 H new ATOM 0 HG2 GLN D 949 -10.277 20.636 27.039 1.00 54.78 H new ATOM 0 HG3 GLN D 949 -10.821 22.094 26.938 1.00 54.78 H new ATOM 0 HE21 GLN D 949 -9.730 19.502 25.120 1.00 54.22 H new ATOM 0 HE22 GLN D 949 -10.125 19.968 23.762 1.00 54.22 H new ATOM 1985 N ALA D 950 -6.348 22.992 28.510 1.00 36.12 N ATOM 1986 CA ALA D 950 -4.965 23.442 28.617 1.00 31.57 C ATOM 1987 C ALA D 950 -4.233 22.668 29.707 1.00 30.74 C ATOM 1988 O ALA D 950 -3.039 22.397 29.595 1.00 44.80 O ATOM 1989 CB ALA D 950 -4.911 24.934 28.895 1.00 32.61 C ATOM 0 H ALA D 950 -6.932 23.604 28.664 1.00 36.12 H new ATOM 0 HA ALA D 950 -4.522 23.272 27.771 1.00 31.57 H new ATOM 0 HB1 ALA D 950 -3.986 25.217 28.963 1.00 32.61 H new ATOM 0 HB2 ALA D 950 -5.343 25.414 28.171 1.00 32.61 H new ATOM 0 HB3 ALA D 950 -5.369 25.125 29.728 1.00 32.61 H new ATOM 1990 N LEU D 951 -4.965 22.311 30.757 1.00 33.12 N ATOM 1991 CA LEU D 951 -4.411 21.540 31.861 1.00 32.07 C ATOM 1992 C LEU D 951 -3.924 20.174 31.391 1.00 37.47 C ATOM 1993 O LEU D 951 -2.869 19.702 31.814 1.00 34.02 O ATOM 1994 CB LEU D 951 -5.453 21.370 32.967 1.00 22.58 C ATOM 1995 CG LEU D 951 -5.037 20.555 34.194 1.00 34.98 C ATOM 1996 CD1 LEU D 951 -4.018 21.312 35.026 1.00 30.53 C ATOM 1997 CD2 LEU D 951 -6.253 20.187 35.032 1.00 40.20 C ATOM 0 H LEU D 951 -5.797 22.509 30.848 1.00 33.12 H new ATOM 0 HA LEU D 951 -3.651 22.029 32.212 1.00 32.07 H new ATOM 0 HB2 LEU D 951 -5.720 22.253 33.268 1.00 22.58 H new ATOM 0 HB3 LEU D 951 -6.238 20.952 32.580 1.00 22.58 H new ATOM 0 HG LEU D 951 -4.622 19.735 33.885 1.00 34.98 H new ATOM 0 HD11 LEU D 951 -3.769 20.779 35.797 1.00 30.53 H new ATOM 0 HD12 LEU D 951 -3.230 21.491 34.489 1.00 30.53 H new ATOM 0 HD13 LEU D 951 -4.403 22.151 35.325 1.00 30.53 H new ATOM 0 HD21 LEU D 951 -5.970 19.672 35.804 1.00 40.20 H new ATOM 0 HD22 LEU D 951 -6.698 20.996 35.329 1.00 40.20 H new ATOM 0 HD23 LEU D 951 -6.866 19.658 34.498 1.00 40.20 H new ATOM 1998 N LEU D 952 -4.693 19.546 30.508 1.00 38.15 N ATOM 1999 CA LEU D 952 -4.353 18.218 30.010 1.00 32.47 C ATOM 2000 C LEU D 952 -3.297 18.275 28.911 1.00 38.23 C ATOM 2001 O LEU D 952 -2.712 17.255 28.550 1.00 39.09 O ATOM 2002 CB LEU D 952 -5.606 17.507 29.495 1.00 41.21 C ATOM 2003 CG LEU D 952 -6.690 17.229 30.538 1.00 39.02 C ATOM 2004 CD1 LEU D 952 -7.867 16.495 29.912 1.00 33.51 C ATOM 2005 CD2 LEU D 952 -6.119 16.440 31.705 1.00 42.30 C ATOM 0 H LEU D 952 -5.419 19.873 30.183 1.00 38.15 H new ATOM 0 HA LEU D 952 -3.980 17.717 30.752 1.00 32.47 H new ATOM 0 HB2 LEU D 952 -5.993 18.044 28.786 1.00 41.21 H new ATOM 0 HB3 LEU D 952 -5.339 16.663 29.098 1.00 41.21 H new ATOM 0 HG LEU D 952 -7.012 18.079 30.876 1.00 39.02 H new ATOM 0 HD11 LEU D 952 -8.542 16.329 30.589 1.00 33.51 H new ATOM 0 HD12 LEU D 952 -8.247 17.038 29.203 1.00 33.51 H new ATOM 0 HD13 LEU D 952 -7.563 15.650 29.544 1.00 33.51 H new ATOM 0 HD21 LEU D 952 -6.818 16.273 32.356 1.00 42.30 H new ATOM 0 HD22 LEU D 952 -5.768 15.595 31.384 1.00 42.30 H new ATOM 0 HD23 LEU D 952 -5.405 16.948 32.121 1.00 42.30 H new ATOM 2006 N LEU D 953 -3.057 19.471 28.382 1.00 32.45 N ATOM 2007 CA LEU D 953 -2.057 19.656 27.337 1.00 29.36 C ATOM 2008 C LEU D 953 -0.681 19.930 27.931 1.00 36.12 C ATOM 2009 O LEU D 953 0.329 19.879 27.229 1.00 40.65 O ATOM 2010 CB LEU D 953 -2.458 20.799 26.404 1.00 34.98 C ATOM 2011 CG LEU D 953 -3.657 20.544 25.493 1.00 28.09 C ATOM 2012 CD1 LEU D 953 -3.931 21.758 24.623 1.00 32.82 C ATOM 2013 CD2 LEU D 953 -3.423 19.308 24.638 1.00 35.07 C ATOM 0 H LEU D 953 -3.465 20.191 28.616 1.00 32.45 H new ATOM 0 HA LEU D 953 -2.011 18.833 26.826 1.00 29.36 H new ATOM 0 HB2 LEU D 953 -2.649 21.581 26.946 1.00 34.98 H new ATOM 0 HB3 LEU D 953 -1.695 21.019 25.847 1.00 34.98 H new ATOM 0 HG LEU D 953 -4.437 20.386 26.047 1.00 28.09 H new ATOM 0 HD11 LEU D 953 -4.694 21.581 24.051 1.00 32.82 H new ATOM 0 HD12 LEU D 953 -4.121 22.524 25.187 1.00 32.82 H new ATOM 0 HD13 LEU D 953 -3.153 21.946 24.075 1.00 32.82 H new ATOM 0 HD21 LEU D 953 -4.192 19.160 24.066 1.00 35.07 H new ATOM 0 HD22 LEU D 953 -2.633 19.438 24.090 1.00 35.07 H new ATOM 0 HD23 LEU D 953 -3.294 18.537 25.212 1.00 35.07 H new ATOM 2014 N LEU D 954 -0.651 20.225 29.226 1.00 37.11 N ATOM 2015 CA LEU D 954 0.595 20.540 29.914 1.00 49.20 C ATOM 2016 C LEU D 954 1.572 19.372 29.910 1.00 48.18 C ATOM 2017 O LEU D 954 1.195 18.230 30.171 1.00 49.80 O ATOM 2018 CB LEU D 954 0.310 20.968 31.353 1.00 36.15 C ATOM 2019 CG LEU D 954 -0.219 22.392 31.525 1.00 42.61 C ATOM 2020 CD1 LEU D 954 -0.761 22.592 32.926 1.00 37.20 C ATOM 2021 CD2 LEU D 954 0.883 23.395 31.227 1.00 39.61 C ATOM 0 H LEU D 954 -1.349 20.248 29.728 1.00 37.11 H new ATOM 0 HA LEU D 954 1.010 21.270 29.429 1.00 49.20 H new ATOM 0 HB2 LEU D 954 -0.335 20.352 31.735 1.00 36.15 H new ATOM 0 HB3 LEU D 954 1.127 20.879 31.868 1.00 36.15 H new ATOM 0 HG LEU D 954 -0.945 22.534 30.898 1.00 42.61 H new ATOM 0 HD11 LEU D 954 -1.092 23.499 33.019 1.00 37.20 H new ATOM 0 HD12 LEU D 954 -1.485 21.966 33.086 1.00 37.20 H new ATOM 0 HD13 LEU D 954 -0.054 22.439 33.572 1.00 37.20 H new ATOM 0 HD21 LEU D 954 0.540 24.295 31.338 1.00 39.61 H new ATOM 0 HD22 LEU D 954 1.623 23.254 31.838 1.00 39.61 H new ATOM 0 HD23 LEU D 954 1.190 23.277 30.315 1.00 39.61 H new ATOM 2022 N LYS D 955 2.829 19.670 29.604 1.00 40.74 N ATOM 2023 CA LYS D 955 3.895 18.680 29.663 1.00 48.34 C ATOM 2024 C LYS D 955 4.761 18.946 30.889 1.00 46.96 C ATOM 2025 O LYS D 955 4.648 19.999 31.518 1.00 46.86 O ATOM 2026 CB LYS D 955 4.734 18.711 28.386 1.00 56.96 C ATOM 2027 CG LYS D 955 3.922 18.475 27.121 1.00 63.60 C ATOM 2028 CD LYS D 955 4.754 18.692 25.870 1.00 60.24 C ATOM 2029 CE LYS D 955 3.906 18.537 24.618 1.00 63.81 C ATOM 2030 NZ LYS D 955 4.666 18.865 23.381 1.00 56.26 N1+ ATOM 0 H LYS D 955 3.087 20.452 29.356 1.00 40.74 H new ATOM 0 HA LYS D 955 3.505 17.795 29.736 1.00 48.34 H new ATOM 0 HB2 LYS D 955 5.179 19.570 28.321 1.00 56.96 H new ATOM 0 HB3 LYS D 955 5.428 18.036 28.447 1.00 56.96 H new ATOM 0 HG2 LYS D 955 3.573 17.570 27.125 1.00 63.60 H new ATOM 0 HG3 LYS D 955 3.159 19.073 27.110 1.00 63.60 H new ATOM 0 HD2 LYS D 955 5.149 19.578 25.890 1.00 60.24 H new ATOM 0 HD3 LYS D 955 5.486 18.056 25.850 1.00 60.24 H new ATOM 0 HE2 LYS D 955 3.578 17.626 24.562 1.00 63.81 H new ATOM 0 HE3 LYS D 955 3.129 19.115 24.682 1.00 63.81 H new ATOM 0 HZ1 LYS D 955 4.138 18.763 22.672 1.00 56.26 H new ATOM 0 HZ2 LYS D 955 4.949 19.708 23.421 1.00 56.26 H new ATOM 0 HZ3 LYS D 955 5.366 18.321 23.310 1.00 56.26 H new ATOM 2031 N GLU D 956 5.624 17.995 31.228 1.00 50.07 N ATOM 2032 CA GLU D 956 6.440 18.111 32.431 1.00 50.18 C ATOM 2033 C GLU D 956 7.430 19.267 32.323 1.00 49.28 C ATOM 2034 O GLU D 956 7.778 19.894 33.325 1.00 62.63 O ATOM 2035 CB GLU D 956 7.182 16.801 32.704 1.00 53.53 C ATOM 2036 CG GLU D 956 7.826 16.733 34.082 1.00 81.00 C ATOM 2037 CD GLU D 956 8.179 15.316 34.494 1.00 77.07 C ATOM 2038 OE1 GLU D 956 8.203 14.426 33.617 1.00 82.42 O ATOM 2039 OE2 GLU D 956 8.425 15.090 35.699 1.00 56.50 O1+ ATOM 0 H GLU D 956 5.752 17.275 30.776 1.00 50.07 H new ATOM 0 HA GLU D 956 5.845 18.296 33.174 1.00 50.18 H new ATOM 0 HB2 GLU D 956 6.561 16.062 32.610 1.00 53.53 H new ATOM 0 HB3 GLU D 956 7.869 16.682 32.029 1.00 53.53 H new ATOM 0 HG2 GLU D 956 8.629 17.277 34.087 1.00 81.00 H new ATOM 0 HG3 GLU D 956 7.221 17.115 34.737 1.00 81.00 H new ATOM 2040 N ASP D 957 7.872 19.554 31.103 1.00 43.26 N ATOM 2041 CA ASP D 957 8.818 20.638 30.872 1.00 59.01 C ATOM 2042 C ASP D 957 8.125 21.995 30.957 1.00 53.54 C ATOM 2043 O ASP D 957 8.737 22.990 31.349 1.00 54.87 O ATOM 2044 CB ASP D 957 9.497 20.474 29.511 1.00 78.97 C ATOM 2045 CG ASP D 957 10.764 21.302 29.387 1.00 93.75 C ATOM 2046 OD1 ASP D 957 11.839 20.803 29.784 1.00 86.91 O ATOM 2047 OD2 ASP D 957 10.686 22.447 28.893 1.00 83.31 O1+ ATOM 0 H ASP D 957 7.635 19.131 30.393 1.00 43.26 H new ATOM 0 HA ASP D 957 9.495 20.599 31.565 1.00 59.01 H new ATOM 0 HB2 ASP D 957 9.711 19.538 29.371 1.00 78.97 H new ATOM 0 HB3 ASP D 957 8.877 20.731 28.811 1.00 78.97 H new ATOM 2048 N HIS D 958 6.848 22.026 30.582 1.00 56.37 N ATOM 2049 CA HIS D 958 6.046 23.245 30.644 1.00 62.70 C ATOM 2050 C HIS D 958 6.032 23.831 32.049 1.00 62.21 C ATOM 2051 O HIS D 958 6.197 25.036 32.231 1.00 69.03 O ATOM 2052 CB HIS D 958 4.607 22.972 30.192 1.00 48.42 C ATOM 2053 CG HIS D 958 4.420 22.995 28.706 1.00 51.87 C ATOM 2054 ND1 HIS D 958 3.676 22.047 28.036 1.00 48.82 N ATOM 2055 CD2 HIS D 958 4.868 23.857 27.763 1.00 64.74 C ATOM 2056 CE1 HIS D 958 3.681 22.320 26.743 1.00 55.45 C ATOM 2057 NE2 HIS D 958 4.396 23.413 26.551 1.00 56.74 N ATOM 0 H HIS D 958 6.422 21.340 30.284 1.00 56.37 H new ATOM 0 HA HIS D 958 6.455 23.888 30.044 1.00 62.70 H new ATOM 0 HB2 HIS D 958 4.331 22.106 30.530 1.00 48.42 H new ATOM 0 HB3 HIS D 958 4.021 23.633 30.593 1.00 48.42 H new ATOM 0 HD2 HIS D 958 5.396 24.609 27.908 1.00 64.74 H new ATOM 0 HE1 HIS D 958 3.254 21.826 26.081 1.00 55.45 H new ATOM 0 HE2 HIS D 958 4.543 23.787 25.790 1.00 56.74 H new ATOM 2058 N LEU D 959 5.843 22.964 33.037 1.00 61.24 N ATOM 2059 CA LEU D 959 5.694 23.386 34.425 1.00 60.54 C ATOM 2060 C LEU D 959 6.891 24.181 34.940 1.00 69.32 C ATOM 2061 O LEU D 959 6.747 25.328 35.360 1.00 72.88 O ATOM 2062 CB LEU D 959 5.459 22.167 35.316 1.00 56.63 C ATOM 2063 CG LEU D 959 4.178 21.388 35.005 1.00 53.63 C ATOM 2064 CD1 LEU D 959 4.072 20.156 35.883 1.00 57.06 C ATOM 2065 CD2 LEU D 959 2.957 22.280 35.177 1.00 37.34 C ATOM 0 H LEU D 959 5.797 22.113 32.922 1.00 61.24 H new ATOM 0 HA LEU D 959 4.927 23.979 34.458 1.00 60.54 H new ATOM 0 HB2 LEU D 959 6.217 21.568 35.231 1.00 56.63 H new ATOM 0 HB3 LEU D 959 5.430 22.458 36.241 1.00 56.63 H new ATOM 0 HG LEU D 959 4.215 21.096 34.081 1.00 53.63 H new ATOM 0 HD11 LEU D 959 3.256 19.677 35.671 1.00 57.06 H new ATOM 0 HD12 LEU D 959 4.835 19.579 35.725 1.00 57.06 H new ATOM 0 HD13 LEU D 959 4.057 20.423 36.815 1.00 57.06 H new ATOM 0 HD21 LEU D 959 2.155 21.773 34.977 1.00 37.34 H new ATOM 0 HD22 LEU D 959 2.916 22.601 36.092 1.00 37.34 H new ATOM 0 HD23 LEU D 959 3.020 23.036 34.572 1.00 37.34 H new ATOM 2066 N MET D 960 8.072 23.575 34.898 1.00 67.72 N ATOM 2067 CA MET D 960 9.264 24.203 35.460 1.00 66.87 C ATOM 2068 C MET D 960 9.765 25.390 34.636 1.00 85.41 C ATOM 2069 O MET D 960 9.451 26.545 34.936 1.00 71.91 O ATOM 2070 CB MET D 960 10.385 23.172 35.612 1.00 59.50 C ATOM 2071 CG MET D 960 10.512 22.604 37.019 1.00 44.50 C ATOM 2072 SD MET D 960 12.078 23.018 37.817 1.00 85.15 S ATOM 2073 CE MET D 960 12.106 24.801 37.627 1.00 61.15 C ATOM 0 H MET D 960 8.206 22.800 34.549 1.00 67.72 H new ATOM 0 HA MET D 960 9.007 24.548 36.329 1.00 66.87 H new ATOM 0 HB2 MET D 960 10.229 22.443 34.991 1.00 59.50 H new ATOM 0 HB3 MET D 960 11.227 23.583 35.361 1.00 59.50 H new ATOM 0 HG2 MET D 960 9.781 22.937 37.563 1.00 44.50 H new ATOM 0 HG3 MET D 960 10.421 21.639 36.981 1.00 44.50 H new ATOM 0 HE1 MET D 960 12.749 25.044 36.942 1.00 61.15 H new ATOM 0 HE2 MET D 960 11.225 25.113 37.368 1.00 61.15 H new ATOM 0 HE3 MET D 960 12.360 25.212 38.468 1.00 61.15 H new ATOM 2074 N SER D 961 10.543 25.095 33.599 1.00 85.85 N ATOM 2075 CA SER D 961 11.271 26.118 32.852 1.00 96.67 C ATOM 2076 C SER D 961 10.375 27.139 32.151 1.00 88.71 C ATOM 2077 O SER D 961 10.745 28.305 32.012 1.00113.68 O ATOM 2078 CB SER D 961 12.188 25.455 31.818 1.00113.25 C ATOM 2079 OG SER D 961 11.435 24.829 30.794 1.00 97.72 O ATOM 0 H SER D 961 10.664 24.295 33.308 1.00 85.85 H new ATOM 0 HA SER D 961 11.786 26.610 33.510 1.00 96.67 H new ATOM 0 HB2 SER D 961 12.777 26.121 31.429 1.00113.25 H new ATOM 0 HB3 SER D 961 12.752 24.799 32.256 1.00113.25 H new ATOM 0 HG SER D 961 11.957 24.474 30.239 1.00 97.72 H new ATOM 2080 N ALA D 962 9.201 26.704 31.708 1.00 72.51 N ATOM 2081 CA ALA D 962 8.331 27.571 30.920 1.00 88.45 C ATOM 2082 C ALA D 962 7.393 28.410 31.784 1.00 81.99 C ATOM 2083 O ALA D 962 7.144 29.578 31.485 1.00 78.14 O ATOM 2084 CB ALA D 962 7.525 26.743 29.927 1.00 92.57 C ATOM 0 H ALA D 962 8.890 25.915 31.851 1.00 72.51 H new ATOM 0 HA ALA D 962 8.906 28.189 30.443 1.00 88.45 H new ATOM 0 HB1 ALA D 962 6.951 27.328 29.409 1.00 92.57 H new ATOM 0 HB2 ALA D 962 8.129 26.273 29.331 1.00 92.57 H new ATOM 0 HB3 ALA D 962 6.981 26.100 30.408 1.00 92.57 H new ATOM 2085 N MET D 963 6.876 27.822 32.857 1.00 80.32 N ATOM 2086 CA MET D 963 5.877 28.502 33.678 1.00 75.69 C ATOM 2087 C MET D 963 6.463 29.102 34.950 1.00 66.21 C ATOM 2088 O MET D 963 5.722 29.613 35.792 1.00 60.26 O ATOM 2089 CB MET D 963 4.744 27.541 34.039 1.00 76.57 C ATOM 2090 CG MET D 963 3.894 27.118 32.857 1.00 69.06 C ATOM 2091 SD MET D 963 2.603 25.951 33.323 1.00105.49 S ATOM 2092 CE MET D 963 1.659 26.949 34.477 1.00 92.86 C ATOM 0 H MET D 963 7.088 27.034 33.127 1.00 80.32 H new ATOM 0 HA MET D 963 5.534 29.236 33.144 1.00 75.69 H new ATOM 0 HB2 MET D 963 5.123 26.750 34.453 1.00 76.57 H new ATOM 0 HB3 MET D 963 4.174 27.962 34.701 1.00 76.57 H new ATOM 0 HG2 MET D 963 3.488 27.903 32.456 1.00 69.06 H new ATOM 0 HG3 MET D 963 4.462 26.716 32.181 1.00 69.06 H new ATOM 0 HE1 MET D 963 0.711 26.801 34.333 1.00 92.86 H new ATOM 0 HE2 MET D 963 1.890 26.700 35.385 1.00 92.86 H new ATOM 0 HE3 MET D 963 1.864 27.887 34.337 1.00 92.86 H new ATOM 2093 N ASN D 964 7.786 29.038 35.083 1.00 59.74 N ATOM 2094 CA ASN D 964 8.483 29.601 36.237 1.00 76.71 C ATOM 2095 C ASN D 964 8.011 28.993 37.553 1.00 72.19 C ATOM 2096 O ASN D 964 7.749 29.709 38.522 1.00 69.56 O ATOM 2097 CB ASN D 964 8.304 31.121 36.276 1.00 85.70 C ATOM 2098 CG ASN D 964 9.620 31.862 36.371 1.00 96.46 C ATOM 2099 OD1 ASN D 964 10.600 31.346 36.908 1.00 95.41 O ATOM 2100 ND2 ASN D 964 9.649 33.081 35.846 1.00 90.11 N ATOM 0 H ASN D 964 8.305 28.667 34.506 1.00 59.74 H new ATOM 0 HA ASN D 964 9.423 29.384 36.134 1.00 76.71 H new ATOM 0 HB2 ASN D 964 7.832 31.408 35.478 1.00 85.70 H new ATOM 0 HB3 ASN D 964 7.748 31.358 37.035 1.00 85.70 H new ATOM 0 HD21 ASN D 964 10.373 33.544 35.873 1.00 90.11 H new ATOM 0 HD22 ASN D 964 8.943 33.408 35.479 1.00 90.11 H new ATOM 2101 N ILE D 965 7.900 27.669 37.582 1.00 70.93 N ATOM 2102 CA ILE D 965 7.385 26.977 38.758 1.00 61.17 C ATOM 2103 C ILE D 965 8.456 26.118 39.414 1.00 50.00 C ATOM 2104 O ILE D 965 9.136 25.337 38.748 1.00 69.37 O ATOM 2105 CB ILE D 965 6.172 26.097 38.402 1.00 56.40 C ATOM 2106 CG1 ILE D 965 5.090 26.950 37.747 1.00 58.90 C ATOM 2107 CG2 ILE D 965 5.629 25.397 39.638 1.00 45.40 C ATOM 2108 CD1 ILE D 965 4.824 28.240 38.492 1.00 81.14 C ATOM 0 H ILE D 965 8.118 27.152 36.930 1.00 70.93 H new ATOM 0 HA ILE D 965 7.106 27.662 39.386 1.00 61.17 H new ATOM 0 HB ILE D 965 6.456 25.414 37.775 1.00 56.40 H new ATOM 0 HG12 ILE D 965 5.354 27.156 36.837 1.00 58.90 H new ATOM 0 HG13 ILE D 965 4.268 26.437 37.694 1.00 58.90 H new ATOM 0 HG21 ILE D 965 4.867 24.849 39.392 1.00 45.40 H new ATOM 0 HG22 ILE D 965 6.320 24.835 40.022 1.00 45.40 H new ATOM 0 HG23 ILE D 965 5.353 26.060 40.290 1.00 45.40 H new ATOM 0 HD11 ILE D 965 4.131 28.741 38.034 1.00 81.14 H new ATOM 0 HD12 ILE D 965 4.534 28.038 39.395 1.00 81.14 H new ATOM 0 HD13 ILE D 965 5.637 28.769 38.524 1.00 81.14 H new ATOM 2109 N LYS D 966 8.601 26.270 40.725 1.00 49.64 N ATOM 2110 CA LYS D 966 9.574 25.494 41.479 1.00 54.88 C ATOM 2111 C LYS D 966 9.272 24.000 41.382 1.00 41.43 C ATOM 2112 O LYS D 966 8.112 23.597 41.285 1.00 35.39 O ATOM 2113 CB LYS D 966 9.599 25.961 42.933 1.00 53.81 C ATOM 2114 CG LYS D 966 9.793 27.471 43.052 1.00 60.67 C ATOM 2115 CD LYS D 966 9.996 27.926 44.492 1.00 55.19 C ATOM 2116 CE LYS D 966 10.225 29.438 44.568 1.00 69.99 C ATOM 2117 NZ LYS D 966 10.511 29.917 45.959 1.00 87.69 N ATOM 0 H LYS D 966 8.142 26.822 41.199 1.00 49.64 H new ATOM 0 HA LYS D 966 10.453 25.638 41.096 1.00 54.88 H new ATOM 0 HB2 LYS D 966 8.769 25.708 43.366 1.00 53.81 H new ATOM 0 HB3 LYS D 966 10.315 25.507 43.404 1.00 53.81 H new ATOM 0 HG2 LYS D 966 10.560 27.738 42.521 1.00 60.67 H new ATOM 0 HG3 LYS D 966 9.020 27.923 42.680 1.00 60.67 H new ATOM 0 HD2 LYS D 966 9.219 27.687 45.022 1.00 55.19 H new ATOM 0 HD3 LYS D 966 10.756 27.462 44.877 1.00 55.19 H new ATOM 0 HE2 LYS D 966 10.966 29.677 43.990 1.00 69.99 H new ATOM 0 HE3 LYS D 966 9.441 29.896 44.228 1.00 69.99 H new ATOM 0 HZ1 LYS D 966 10.636 30.798 45.950 1.00 87.69 H new ATOM 0 HZ2 LYS D 966 9.823 29.721 46.488 1.00 87.69 H new ATOM 0 HZ3 LYS D 966 11.244 29.517 46.266 1.00 87.69 H new ATOM 2118 N ARG D 967 10.329 23.192 41.405 1.00 53.84 N ATOM 2119 CA ARG D 967 10.227 21.758 41.150 1.00 49.00 C ATOM 2120 C ARG D 967 9.293 21.034 42.120 1.00 49.94 C ATOM 2121 O ARG D 967 8.612 20.085 41.731 1.00 36.86 O ATOM 2122 CB ARG D 967 11.625 21.124 41.187 1.00 43.15 C ATOM 2123 CG ARG D 967 11.695 19.700 40.644 1.00 63.65 C ATOM 2124 CD ARG D 967 11.564 19.650 39.120 1.00 90.21 C ATOM 2125 NE ARG D 967 10.174 19.618 38.669 1.00 92.93 N ATOM 2126 CZ ARG D 967 9.725 18.880 37.658 1.00 57.10 C ATOM 2127 NH1 ARG D 967 10.554 18.103 36.976 1.00 76.69 N ATOM 2128 NH2 ARG D 967 8.440 18.918 37.331 1.00 63.42 N ATOM 0 H ARG D 967 11.129 23.462 41.570 1.00 53.84 H new ATOM 0 HA ARG D 967 9.836 21.657 40.268 1.00 49.00 H new ATOM 0 HB2 ARG D 967 12.233 21.682 40.677 1.00 43.15 H new ATOM 0 HB3 ARG D 967 11.942 21.123 42.104 1.00 43.15 H new ATOM 0 HG2 ARG D 967 12.537 19.297 40.907 1.00 63.65 H new ATOM 0 HG3 ARG D 967 10.989 19.169 41.044 1.00 63.65 H new ATOM 0 HD2 ARG D 967 12.006 20.424 38.737 1.00 90.21 H new ATOM 0 HD3 ARG D 967 12.026 18.865 38.786 1.00 90.21 H new ATOM 0 HE ARG D 967 9.607 20.111 39.087 1.00 92.93 H new ATOM 0 HH11 ARG D 967 11.387 18.074 37.186 1.00 76.69 H new ATOM 0 HH12 ARG D 967 10.259 17.628 36.323 1.00 76.69 H new ATOM 0 HH21 ARG D 967 7.899 19.419 37.773 1.00 63.42 H new ATOM 0 HH22 ARG D 967 8.148 18.441 36.677 1.00 63.42 H new ATOM 2129 N GLY D 968 9.267 21.484 43.372 1.00 49.69 N ATOM 2130 CA GLY D 968 8.429 20.879 44.400 1.00 35.82 C ATOM 2131 C GLY D 968 6.955 20.813 44.027 1.00 46.99 C ATOM 2132 O GLY D 968 6.408 19.730 43.838 1.00 45.77 O ATOM 0 H GLY D 968 9.736 22.150 43.648 1.00 49.69 H new ATOM 0 HA2 GLY D 968 8.749 19.981 44.580 1.00 35.82 H new ATOM 0 HA3 GLY D 968 8.524 21.385 45.222 1.00 35.82 H new ATOM 2133 N PRO D 969 6.302 21.982 43.913 1.00 41.87 N ATOM 2134 CA PRO D 969 4.922 22.120 43.429 1.00 41.71 C ATOM 2135 C PRO D 969 4.710 21.539 42.037 1.00 35.57 C ATOM 2136 O PRO D 969 3.667 20.938 41.792 1.00 36.69 O ATOM 2137 CB PRO D 969 4.716 23.633 43.395 1.00 55.33 C ATOM 2138 CG PRO D 969 5.630 24.156 44.417 1.00 50.13 C ATOM 2139 CD PRO D 969 6.861 23.286 44.313 1.00 47.23 C ATOM 0 HA PRO D 969 4.300 21.638 43.996 1.00 41.71 H new ATOM 0 HB2 PRO D 969 4.921 23.997 42.520 1.00 55.33 H new ATOM 0 HB3 PRO D 969 3.796 23.868 43.592 1.00 55.33 H new ATOM 0 HG2 PRO D 969 5.843 25.088 44.255 1.00 50.13 H new ATOM 0 HG3 PRO D 969 5.236 24.104 45.302 1.00 50.13 H new ATOM 0 HD2 PRO D 969 7.488 23.626 43.656 1.00 47.23 H new ATOM 0 HD3 PRO D 969 7.336 23.231 45.157 1.00 47.23 H new ATOM 2140 N ALA D 970 5.672 21.752 41.142 1.00 41.24 N ATOM 2141 CA ALA D 970 5.602 21.246 39.772 1.00 37.65 C ATOM 2142 C ALA D 970 5.509 19.723 39.736 1.00 40.47 C ATOM 2143 O ALA D 970 4.842 19.153 38.870 1.00 38.92 O ATOM 2144 CB ALA D 970 6.807 21.712 38.974 1.00 37.12 C ATOM 0 H ALA D 970 6.388 22.197 41.313 1.00 41.24 H new ATOM 0 HA ALA D 970 4.794 21.603 39.371 1.00 37.65 H new ATOM 0 HB1 ALA D 970 6.748 21.370 38.068 1.00 37.12 H new ATOM 0 HB2 ALA D 970 6.826 22.682 38.952 1.00 37.12 H new ATOM 0 HB3 ALA D 970 7.619 21.383 39.391 1.00 37.12 H new ATOM 2145 N LEU D 971 6.191 19.069 40.672 1.00 40.88 N ATOM 2146 CA LEU D 971 6.131 17.615 40.796 1.00 44.76 C ATOM 2147 C LEU D 971 4.744 17.145 41.219 1.00 38.56 C ATOM 2148 O LEU D 971 4.195 16.202 40.648 1.00 44.72 O ATOM 2149 CB LEU D 971 7.174 17.121 41.798 1.00 39.29 C ATOM 2150 CG LEU D 971 8.578 16.820 41.274 1.00 38.22 C ATOM 2151 CD1 LEU D 971 9.562 16.736 42.427 1.00 36.67 C ATOM 2152 CD2 LEU D 971 8.567 15.526 40.480 1.00 39.46 C ATOM 0 H LEU D 971 6.699 19.453 41.250 1.00 40.88 H new ATOM 0 HA LEU D 971 6.323 17.240 39.922 1.00 44.76 H new ATOM 0 HB2 LEU D 971 7.254 17.787 42.498 1.00 39.29 H new ATOM 0 HB3 LEU D 971 6.831 16.314 42.212 1.00 39.29 H new ATOM 0 HG LEU D 971 8.859 17.540 40.687 1.00 38.22 H new ATOM 0 HD11 LEU D 971 10.449 16.545 42.083 1.00 36.67 H new ATOM 0 HD12 LEU D 971 9.576 17.581 42.903 1.00 36.67 H new ATOM 0 HD13 LEU D 971 9.291 16.028 43.033 1.00 36.67 H new ATOM 0 HD21 LEU D 971 9.460 15.341 40.150 1.00 39.46 H new ATOM 0 HD22 LEU D 971 8.276 14.798 41.051 1.00 39.46 H new ATOM 0 HD23 LEU D 971 7.958 15.611 39.730 1.00 39.46 H new ATOM 2153 N LYS D 972 4.187 17.804 42.230 1.00 41.23 N ATOM 2154 CA LYS D 972 2.895 17.416 42.779 1.00 39.15 C ATOM 2155 C LYS D 972 1.750 17.691 41.809 1.00 30.40 C ATOM 2156 O LYS D 972 0.811 16.904 41.709 1.00 35.89 O ATOM 2157 CB LYS D 972 2.654 18.135 44.109 1.00 45.43 C ATOM 2158 CG LYS D 972 3.535 17.625 45.240 1.00 35.60 C ATOM 2159 CD LYS D 972 3.402 18.468 46.497 1.00 36.51 C ATOM 2160 CE LYS D 972 4.096 19.810 46.341 1.00 38.83 C ATOM 2161 NZ LYS D 972 4.108 20.575 47.618 1.00 25.36 N1+ ATOM 0 H LYS D 972 4.546 18.485 42.614 1.00 41.23 H new ATOM 0 HA LYS D 972 2.917 16.458 42.930 1.00 39.15 H new ATOM 0 HB2 LYS D 972 2.811 19.085 43.989 1.00 45.43 H new ATOM 0 HB3 LYS D 972 1.723 18.031 44.361 1.00 45.43 H new ATOM 0 HG2 LYS D 972 3.299 16.706 45.442 1.00 35.60 H new ATOM 0 HG3 LYS D 972 4.461 17.623 44.951 1.00 35.60 H new ATOM 0 HD2 LYS D 972 2.463 18.609 46.696 1.00 36.51 H new ATOM 0 HD3 LYS D 972 3.783 17.991 47.250 1.00 36.51 H new ATOM 0 HE2 LYS D 972 5.007 19.670 46.039 1.00 38.83 H new ATOM 0 HE3 LYS D 972 3.646 20.330 45.656 1.00 38.83 H new ATOM 0 HZ1 LYS D 972 4.808 21.125 47.628 1.00 25.36 H new ATOM 0 HZ2 LYS D 972 3.358 21.049 47.687 1.00 25.36 H new ATOM 0 HZ3 LYS D 972 4.165 20.009 48.303 1.00 25.36 H new ATOM 2162 N ILE D 973 1.833 18.807 41.093 1.00 33.33 N ATOM 2163 CA ILE D 973 0.828 19.139 40.091 1.00 30.77 C ATOM 2164 C ILE D 973 0.889 18.149 38.931 1.00 39.13 C ATOM 2165 O ILE D 973 -0.140 17.671 38.458 1.00 41.36 O ATOM 2166 CB ILE D 973 1.008 20.577 39.559 1.00 28.02 C ATOM 2167 CG1 ILE D 973 0.775 21.590 40.681 1.00 31.90 C ATOM 2168 CG2 ILE D 973 0.053 20.848 38.408 1.00 30.73 C ATOM 2169 CD1 ILE D 973 0.836 23.032 40.231 1.00 40.37 C ATOM 0 H ILE D 973 2.464 19.386 41.172 1.00 33.33 H new ATOM 0 HA ILE D 973 -0.041 19.083 40.519 1.00 30.77 H new ATOM 0 HB ILE D 973 1.917 20.669 39.234 1.00 28.02 H new ATOM 0 HG12 ILE D 973 -0.093 21.422 41.081 1.00 31.90 H new ATOM 0 HG13 ILE D 973 1.439 21.449 41.374 1.00 31.90 H new ATOM 0 HG21 ILE D 973 0.181 21.755 38.088 1.00 30.73 H new ATOM 0 HG22 ILE D 973 0.229 20.223 37.687 1.00 30.73 H new ATOM 0 HG23 ILE D 973 -0.861 20.739 38.713 1.00 30.73 H new ATOM 0 HD11 ILE D 973 0.680 23.615 40.990 1.00 40.37 H new ATOM 0 HD12 ILE D 973 1.711 23.217 39.856 1.00 40.37 H new ATOM 0 HD13 ILE D 973 0.156 23.190 39.558 1.00 40.37 H new HETATM 2170 N CME D 974 2.103 17.833 38.492 1.00 39.78 N HETATM 2171 CA CME D 974 2.312 16.920 37.387 1.00 41.63 C HETATM 2172 CB CME D 974 3.777 16.736 36.981 1.00 34.86 C HETATM 2173 SG CME D 974 4.028 15.712 35.574 1.00 56.63 S HETATM 2174 SD CME D 974 3.262 16.764 33.914 1.00 70.42 S HETATM 2175 CE CME D 974 1.652 16.133 33.610 1.00 58.44 C HETATM 2176 CZ CME D 974 1.580 15.209 32.415 1.00 53.85 C HETATM 2177 OH CME D 974 0.460 14.356 32.620 1.00 59.89 O HETATM 2178 C CME D 974 1.752 15.543 37.721 1.00 31.60 C HETATM 2179 O CME D 974 1.144 14.835 36.915 1.00 42.36 O HETATM 0 HZ3 CME D 974 1.480 15.716 31.594 1.00 53.85 H new HETATM 0 HZ2 CME D 974 2.396 14.691 32.331 1.00 53.85 H new HETATM 0 HH CME D 974 0.560 13.929 33.336 1.00 59.89 H new HETATM 0 HE3 CME D 974 1.346 15.656 34.397 1.00 58.44 H new HETATM 0 HE2 CME D 974 1.042 16.875 33.473 1.00 58.44 H new HETATM 0 HB3 CME D 974 4.162 17.608 36.804 1.00 34.86 H new HETATM 0 HB2 CME D 974 4.263 16.358 37.731 1.00 34.86 H new HETATM 0 HA CME D 974 1.849 17.330 36.640 1.00 41.63 H new HETATM 0 H CME D 974 2.775 18.220 38.863 1.00 39.78 H new ATOM 2180 N ALA D 975 1.969 15.152 38.973 1.00 43.61 N ATOM 2181 CA ALA D 975 1.526 13.852 39.465 1.00 43.21 C ATOM 2182 C ALA D 975 0.005 13.776 39.555 1.00 46.82 C ATOM 2183 O ALA D 975 -0.595 12.760 39.205 1.00 52.88 O ATOM 2184 CB ALA D 975 2.150 13.561 40.820 1.00 40.13 C ATOM 0 H ALA D 975 2.376 15.631 39.560 1.00 43.61 H new ATOM 0 HA ALA D 975 1.819 13.179 38.830 1.00 43.21 H new ATOM 0 HB1 ALA D 975 1.848 12.695 41.136 1.00 40.13 H new ATOM 0 HB2 ALA D 975 3.116 13.556 40.737 1.00 40.13 H new ATOM 0 HB3 ALA D 975 1.884 14.246 41.453 1.00 40.13 H new ATOM 2185 N ARG D 976 -0.613 14.854 40.029 1.00 44.81 N ATOM 2186 CA ARG D 976 -2.064 14.903 40.176 1.00 54.48 C ATOM 2187 C ARG D 976 -2.766 14.881 38.822 1.00 52.44 C ATOM 2188 O ARG D 976 -3.871 14.353 38.696 1.00 55.60 O ATOM 2189 CB ARG D 976 -2.477 16.147 40.964 1.00 44.56 C ATOM 2190 CG ARG D 976 -3.094 15.840 42.320 1.00 66.02 C ATOM 2191 CD ARG D 976 -4.462 15.186 42.178 1.00 75.86 C ATOM 2192 NE ARG D 976 -5.031 14.818 43.472 1.00 81.04 N ATOM 2193 CZ ARG D 976 -6.235 14.277 43.632 1.00 77.80 C ATOM 2194 NH1 ARG D 976 -7.005 14.044 42.577 1.00 56.68 N1+ ATOM 2195 NH2 ARG D 976 -6.670 13.973 44.848 1.00 46.92 N ATOM 0 H ARG D 976 -0.207 15.572 40.273 1.00 44.81 H new ATOM 0 HA ARG D 976 -2.337 14.111 40.665 1.00 54.48 H new ATOM 0 HB2 ARG D 976 -1.698 16.711 41.093 1.00 44.56 H new ATOM 0 HB3 ARG D 976 -3.112 16.657 40.437 1.00 44.56 H new ATOM 0 HG2 ARG D 976 -2.504 15.254 42.819 1.00 66.02 H new ATOM 0 HG3 ARG D 976 -3.178 16.660 42.831 1.00 66.02 H new ATOM 0 HD2 ARG D 976 -5.064 15.794 41.722 1.00 75.86 H new ATOM 0 HD3 ARG D 976 -4.385 14.394 41.623 1.00 75.86 H new ATOM 0 HE ARG D 976 -4.557 14.960 44.175 1.00 81.04 H new ATOM 0 HH11 ARG D 976 -6.726 14.243 41.788 1.00 56.68 H new ATOM 0 HH12 ARG D 976 -7.784 13.694 42.682 1.00 56.68 H new ATOM 0 HH21 ARG D 976 -6.173 14.126 45.533 1.00 46.92 H new ATOM 0 HH22 ARG D 976 -7.449 13.623 44.951 1.00 46.92 H new ATOM 2196 N ILE D 977 -2.121 15.461 37.815 1.00 46.21 N ATOM 2197 CA ILE D 977 -2.653 15.451 36.457 1.00 47.55 C ATOM 2198 C ILE D 977 -2.623 14.031 35.897 1.00 48.43 C ATOM 2199 O ILE D 977 -3.560 13.595 35.227 1.00 52.40 O ATOM 2200 CB ILE D 977 -1.863 16.405 35.537 1.00 48.21 C ATOM 2201 CG1 ILE D 977 -2.033 17.852 36.005 1.00 41.51 C ATOM 2202 CG2 ILE D 977 -2.321 16.270 34.093 1.00 45.03 C ATOM 2203 CD1 ILE D 977 -1.121 18.837 35.308 1.00 48.54 C ATOM 0 H ILE D 977 -1.368 15.868 37.898 1.00 46.21 H new ATOM 0 HA ILE D 977 -3.571 15.763 36.490 1.00 47.55 H new ATOM 0 HB ILE D 977 -0.925 16.163 35.585 1.00 48.21 H new ATOM 0 HG12 ILE D 977 -2.954 18.122 35.863 1.00 41.51 H new ATOM 0 HG13 ILE D 977 -1.869 17.894 36.960 1.00 41.51 H new ATOM 0 HG21 ILE D 977 -1.812 16.878 33.534 1.00 45.03 H new ATOM 0 HG22 ILE D 977 -2.179 15.359 33.792 1.00 45.03 H new ATOM 0 HG23 ILE D 977 -3.264 16.487 34.031 1.00 45.03 H new ATOM 0 HD11 ILE D 977 -1.283 19.729 35.653 1.00 48.54 H new ATOM 0 HD12 ILE D 977 -0.196 18.592 35.469 1.00 48.54 H new ATOM 0 HD13 ILE D 977 -1.298 18.823 34.354 1.00 48.54 H new ATOM 2204 N ASN D 978 -1.546 13.308 36.192 1.00 56.30 N ATOM 2205 CA ASN D 978 -1.421 11.911 35.792 1.00 46.62 C ATOM 2206 C ASN D 978 -2.486 11.034 36.442 1.00 53.42 C ATOM 2207 O ASN D 978 -2.845 9.983 35.911 1.00 68.31 O ATOM 2208 CB ASN D 978 -0.031 11.380 36.140 1.00 57.56 C ATOM 2209 CG ASN D 978 1.047 11.915 35.216 1.00 63.42 C ATOM 2210 OD1 ASN D 978 0.773 12.720 34.326 1.00 58.79 O ATOM 2211 ND2 ASN D 978 2.281 11.472 35.426 1.00 67.60 N ATOM 0 H ASN D 978 -0.870 13.613 36.628 1.00 56.30 H new ATOM 0 HA ASN D 978 -1.551 11.874 34.831 1.00 46.62 H new ATOM 0 HB2 ASN D 978 0.184 11.621 37.055 1.00 57.56 H new ATOM 0 HB3 ASN D 978 -0.038 10.411 36.096 1.00 57.56 H new ATOM 0 HD21 ASN D 978 2.927 11.748 34.930 1.00 67.60 H new ATOM 0 HD22 ASN D 978 2.434 10.909 36.058 1.00 67.60 H new ATOM 2212 N SER D 979 -2.985 11.471 37.595 1.00 54.18 N ATOM 2213 CA SER D 979 -4.045 10.752 38.292 1.00 45.48 C ATOM 2214 C SER D 979 -5.381 10.917 37.576 1.00 48.31 C ATOM 2215 O SER D 979 -6.167 9.974 37.494 1.00 69.72 O ATOM 2216 CB SER D 979 -4.160 11.226 39.741 1.00 51.43 C ATOM 2217 OG SER D 979 -3.095 10.713 40.533 1.00 64.39 O ATOM 0 H SER D 979 -2.721 12.187 37.992 1.00 54.18 H new ATOM 0 HA SER D 979 -3.813 9.810 38.292 1.00 45.48 H new ATOM 0 HB2 SER D 979 -4.150 12.196 39.769 1.00 51.43 H new ATOM 0 HB3 SER D 979 -5.010 10.940 40.112 1.00 51.43 H new ATOM 0 HG SER D 979 -3.176 10.986 41.323 1.00 64.39 H new ATOM 2218 N LEU D 980 -5.636 12.116 37.058 1.00 51.44 N ATOM 2219 CA LEU D 980 -6.864 12.379 36.310 1.00 46.25 C ATOM 2220 C LEU D 980 -6.934 11.520 35.055 1.00 45.66 C ATOM 2221 O LEU D 980 -8.009 11.090 34.644 1.00 63.63 O ATOM 2222 CB LEU D 980 -6.967 13.859 35.935 1.00 41.85 C ATOM 2223 CG LEU D 980 -7.278 14.848 37.061 1.00 62.39 C ATOM 2224 CD1 LEU D 980 -7.425 16.254 36.499 1.00 51.24 C ATOM 2225 CD2 LEU D 980 -8.532 14.432 37.811 1.00 74.48 C ATOM 0 H LEU D 980 -5.110 12.793 37.128 1.00 51.44 H new ATOM 0 HA LEU D 980 -7.612 12.150 36.884 1.00 46.25 H new ATOM 0 HB2 LEU D 980 -6.129 14.124 35.526 1.00 41.85 H new ATOM 0 HB3 LEU D 980 -7.655 13.950 35.257 1.00 41.85 H new ATOM 0 HG LEU D 980 -6.539 14.844 37.689 1.00 62.39 H new ATOM 0 HD11 LEU D 980 -7.622 16.872 37.220 1.00 51.24 H new ATOM 0 HD12 LEU D 980 -6.599 16.517 36.065 1.00 51.24 H new ATOM 0 HD13 LEU D 980 -8.149 16.271 35.853 1.00 51.24 H new ATOM 0 HD21 LEU D 980 -8.712 15.070 38.519 1.00 74.48 H new ATOM 0 HD22 LEU D 980 -9.283 14.409 37.198 1.00 74.48 H new ATOM 0 HD23 LEU D 980 -8.402 13.551 38.195 1.00 74.48 H new ATOM 2226 N LYS D 981 -5.777 11.266 34.456 1.00 61.44 N ATOM 2227 CA LYS D 981 -5.705 10.428 33.268 1.00 60.73 C ATOM 2228 C LYS D 981 -5.672 8.950 33.655 1.00 78.03 C ATOM 2229 O LYS D 981 -5.461 8.079 32.811 1.00 83.18 O ATOM 2230 CB LYS D 981 -4.485 10.807 32.428 1.00 47.89 C ATOM 2231 CG LYS D 981 -4.419 12.298 32.120 1.00 41.70 C ATOM 2232 CD LYS D 981 -3.285 12.642 31.168 1.00 53.84 C ATOM 2233 CE LYS D 981 -3.248 14.136 30.878 1.00 43.58 C ATOM 2234 NZ LYS D 981 -2.181 14.494 29.902 1.00 54.20 N ATOM 0 H LYS D 981 -5.019 11.571 34.724 1.00 61.44 H new ATOM 0 HA LYS D 981 -6.499 10.576 32.732 1.00 60.73 H new ATOM 0 HB2 LYS D 981 -3.679 10.542 32.898 1.00 47.89 H new ATOM 0 HB3 LYS D 981 -4.504 10.310 31.595 1.00 47.89 H new ATOM 0 HG2 LYS D 981 -5.261 12.583 31.733 1.00 41.70 H new ATOM 0 HG3 LYS D 981 -4.305 12.792 32.947 1.00 41.70 H new ATOM 0 HD2 LYS D 981 -2.440 12.363 31.553 1.00 53.84 H new ATOM 0 HD3 LYS D 981 -3.395 12.151 30.339 1.00 53.84 H new ATOM 0 HE2 LYS D 981 -4.109 14.418 30.531 1.00 43.58 H new ATOM 0 HE3 LYS D 981 -3.103 14.621 31.705 1.00 43.58 H new ATOM 0 HZ1 LYS D 981 -2.378 15.273 29.519 1.00 54.20 H new ATOM 0 HZ2 LYS D 981 -1.401 14.561 30.326 1.00 54.20 H new ATOM 0 HZ3 LYS D 981 -2.125 13.862 29.278 1.00 54.20 H new ATOM 2235 N GLU D 982 -5.878 8.691 34.946 1.00 76.19 N ATOM 2236 CA GLU D 982 -6.098 7.345 35.478 1.00 64.44 C ATOM 2237 C GLU D 982 -4.955 6.376 35.193 1.00 93.75 C ATOM 2238 O GLU D 982 -5.158 5.158 35.205 1.00104.74 O ATOM 2239 CB GLU D 982 -7.401 6.769 34.920 1.00 37.93 C ATOM 2240 CG GLU D 982 -8.573 7.730 34.974 1.00 51.18 C ATOM 2241 CD GLU D 982 -9.352 7.757 33.672 1.00 94.33 C ATOM 2242 OE1 GLU D 982 -9.252 8.765 32.939 1.00 83.68 O ATOM 2243 OE2 GLU D 982 -10.070 6.776 33.382 1.00102.67 O ATOM 0 H GLU D 982 -5.894 9.304 35.549 1.00 76.19 H new ATOM 0 HA GLU D 982 -6.149 7.442 36.442 1.00 64.44 H new ATOM 0 HB2 GLU D 982 -7.257 6.500 33.999 1.00 37.93 H new ATOM 0 HB3 GLU D 982 -7.629 5.968 35.417 1.00 37.93 H new ATOM 0 HG2 GLU D 982 -9.165 7.475 35.698 1.00 51.18 H new ATOM 0 HG3 GLU D 982 -8.249 8.622 35.174 1.00 51.18 H new ATOM 2244 N SER D 983 -3.765 6.925 34.951 1.00 81.21 N ATOM 2245 CA SER D 983 -2.579 6.140 34.611 1.00 86.62 C ATOM 2246 C SER D 983 -2.815 5.279 33.370 1.00 81.45 C ATOM 2247 O SER D 983 -2.828 5.787 32.245 1.00 81.32 O ATOM 2248 CB SER D 983 -2.150 5.257 35.789 1.00 83.35 C ATOM 2249 OG SER D 983 -1.813 6.038 36.922 1.00 60.79 O ATOM 0 H SER D 983 -3.623 7.773 34.980 1.00 81.21 H new ATOM 0 HA SER D 983 -1.865 6.767 34.414 1.00 86.62 H new ATOM 0 HB2 SER D 983 -2.868 4.646 36.017 1.00 83.35 H new ATOM 0 HB3 SER D 983 -1.389 4.715 35.529 1.00 83.35 H new ATOM 0 HG SER D 983 -1.583 5.533 37.553 1.00 60.79 H new TER 2250 SER D 983 ATOM 2251 N THR E 912 -8.732 19.018 4.551 1.00114.54 N ATOM 2252 CA THR E 912 -8.689 20.470 4.421 1.00107.08 C ATOM 2253 C THR E 912 -9.033 20.905 3.001 1.00 89.19 C ATOM 2254 O THR E 912 -8.155 20.973 2.141 1.00 88.98 O ATOM 2255 CB THR E 912 -7.300 21.034 4.795 1.00 88.89 C ATOM 2256 OG1 THR E 912 -6.325 20.585 3.846 1.00 70.76 O ATOM 2257 CG2 THR E 912 -6.893 20.578 6.189 1.00 44.19 C ATOM 0 HA THR E 912 -9.349 20.824 5.037 1.00107.08 H new ATOM 0 HB THR E 912 -7.348 22.003 4.784 1.00 88.89 H new ATOM 0 HG1 THR E 912 -6.650 20.620 3.072 1.00 70.76 H new ATOM 0 HG21 THR E 912 -6.020 20.941 6.406 1.00 44.19 H new ATOM 0 HG22 THR E 912 -7.544 20.893 6.836 1.00 44.19 H new ATOM 0 HG23 THR E 912 -6.855 19.609 6.215 1.00 44.19 H new ATOM 2258 N ARG E 913 -10.309 21.197 2.758 1.00 71.92 N ATOM 2259 CA ARG E 913 -10.742 21.667 1.444 1.00 97.41 C ATOM 2260 C ARG E 913 -10.063 22.992 1.127 1.00 99.53 C ATOM 2261 O ARG E 913 -9.661 23.247 -0.010 1.00 97.85 O ATOM 2262 CB ARG E 913 -12.263 21.819 1.385 1.00 97.21 C ATOM 2263 CG ARG E 913 -12.798 22.014 -0.025 1.00 84.19 C ATOM 2264 CD ARG E 913 -12.524 20.787 -0.884 1.00 77.86 C ATOM 2265 NE ARG E 913 -12.801 21.027 -2.297 1.00 96.21 N ATOM 2266 CZ ARG E 913 -12.710 20.098 -3.244 1.00 98.52 C ATOM 2267 NH1 ARG E 913 -12.353 18.861 -2.927 1.00 81.01 N1+ ATOM 2268 NH2 ARG E 913 -12.978 20.404 -4.507 1.00 77.28 N ATOM 0 H ARG E 913 -10.939 21.130 3.340 1.00 71.92 H new ATOM 0 HA ARG E 913 -10.486 21.008 0.780 1.00 97.41 H new ATOM 0 HB2 ARG E 913 -12.675 21.032 1.774 1.00 97.21 H new ATOM 0 HB3 ARG E 913 -12.527 22.576 1.931 1.00 97.21 H new ATOM 0 HG2 ARG E 913 -13.752 22.184 0.008 1.00 84.19 H new ATOM 0 HG3 ARG E 913 -12.384 22.794 -0.427 1.00 84.19 H new ATOM 0 HD2 ARG E 913 -11.597 20.522 -0.779 1.00 77.86 H new ATOM 0 HD3 ARG E 913 -13.068 20.047 -0.571 1.00 77.86 H new ATOM 0 HE ARG E 913 -13.038 21.820 -2.532 1.00 96.21 H new ATOM 0 HH11 ARG E 913 -12.180 18.660 -2.109 1.00 81.01 H new ATOM 0 HH12 ARG E 913 -12.294 18.260 -3.539 1.00 81.01 H new ATOM 0 HH21 ARG E 913 -13.211 21.205 -4.715 1.00 77.28 H new ATOM 0 HH22 ARG E 913 -12.918 19.801 -5.117 1.00 77.28 H new ATOM 2269 N THR E 914 -9.942 23.833 2.148 1.00 95.51 N ATOM 2270 CA THR E 914 -9.146 25.046 2.051 1.00 97.93 C ATOM 2271 C THR E 914 -7.805 24.789 2.720 1.00 89.28 C ATOM 2272 O THR E 914 -7.724 24.720 3.947 1.00 83.41 O ATOM 2273 CB THR E 914 -9.839 26.250 2.713 1.00 86.01 C ATOM 2274 OG1 THR E 914 -11.225 26.271 2.346 1.00 90.78 O ATOM 2275 CG2 THR E 914 -9.178 27.553 2.282 1.00 68.64 C ATOM 0 H THR E 914 -10.318 23.716 2.913 1.00 95.51 H new ATOM 0 HA THR E 914 -9.030 25.267 1.114 1.00 97.93 H new ATOM 0 HB THR E 914 -9.757 26.163 3.676 1.00 86.01 H new ATOM 0 HG1 THR E 914 -11.601 26.928 2.710 1.00 90.78 H new ATOM 0 HG21 THR E 914 -9.627 28.300 2.708 1.00 68.64 H new ATOM 0 HG22 THR E 914 -8.244 27.545 2.545 1.00 68.64 H new ATOM 0 HG23 THR E 914 -9.242 27.645 1.318 1.00 68.64 H new ATOM 2276 N GLU E 915 -6.762 24.619 1.911 1.00 87.02 N ATOM 2277 CA GLU E 915 -5.427 24.370 2.438 1.00 70.28 C ATOM 2278 C GLU E 915 -5.022 25.505 3.367 1.00 62.21 C ATOM 2279 O GLU E 915 -5.209 26.673 3.039 1.00 60.65 O ATOM 2280 CB GLU E 915 -4.409 24.215 1.308 1.00 72.02 C ATOM 2281 CG GLU E 915 -4.748 23.118 0.307 1.00 91.22 C ATOM 2282 CD GLU E 915 -5.365 23.662 -0.970 1.00100.45 C ATOM 2283 OE1 GLU E 915 -6.513 23.280 -1.288 1.00 72.57 O ATOM 2284 OE2 GLU E 915 -4.699 24.467 -1.657 1.00 98.70 O1+ ATOM 0 H GLU E 915 -6.808 24.645 1.053 1.00 87.02 H new ATOM 0 HA GLU E 915 -5.443 23.539 2.938 1.00 70.28 H new ATOM 0 HB2 GLU E 915 -4.335 25.059 0.835 1.00 72.02 H new ATOM 0 HB3 GLU E 915 -3.539 24.029 1.694 1.00 72.02 H new ATOM 0 HG2 GLU E 915 -3.942 22.625 0.088 1.00 91.22 H new ATOM 0 HG3 GLU E 915 -5.363 22.490 0.717 1.00 91.22 H new ATOM 2285 N PRO E 916 -4.479 25.162 4.544 1.00 59.66 N ATOM 2286 CA PRO E 916 -4.121 26.184 5.534 1.00 46.58 C ATOM 2287 C PRO E 916 -3.045 27.136 5.020 1.00 44.88 C ATOM 2288 O PRO E 916 -2.971 28.275 5.471 1.00 45.28 O ATOM 2289 CB PRO E 916 -3.608 25.361 6.719 1.00 39.87 C ATOM 2290 CG PRO E 916 -3.188 24.057 6.128 1.00 46.33 C ATOM 2291 CD PRO E 916 -4.138 23.804 4.999 1.00 58.90 C ATOM 0 HA PRO E 916 -4.870 26.758 5.758 1.00 46.58 H new ATOM 0 HB2 PRO E 916 -2.865 25.803 7.159 1.00 39.87 H new ATOM 0 HB3 PRO E 916 -4.300 25.237 7.387 1.00 39.87 H new ATOM 0 HG2 PRO E 916 -2.272 24.096 5.811 1.00 46.33 H new ATOM 0 HG3 PRO E 916 -3.230 23.346 6.786 1.00 46.33 H new ATOM 0 HD2 PRO E 916 -3.726 23.281 4.293 1.00 58.90 H new ATOM 0 HD3 PRO E 916 -4.923 23.316 5.292 1.00 58.90 H new ATOM 2292 N SER E 917 -2.239 26.672 4.070 1.00 47.28 N ATOM 2293 CA SER E 917 -1.128 27.456 3.543 1.00 39.75 C ATOM 2294 C SER E 917 -1.585 28.720 2.817 1.00 44.07 C ATOM 2295 O SER E 917 -0.849 29.706 2.753 1.00 42.30 O ATOM 2296 CB SER E 917 -0.281 26.595 2.603 1.00 51.54 C ATOM 2297 OG SER E 917 -1.092 25.964 1.623 1.00 69.76 O ATOM 0 H SER E 917 -2.321 25.894 3.713 1.00 47.28 H new ATOM 0 HA SER E 917 -0.598 27.741 4.304 1.00 39.75 H new ATOM 0 HB2 SER E 917 0.388 27.147 2.168 1.00 51.54 H new ATOM 0 HB3 SER E 917 0.195 25.923 3.115 1.00 51.54 H new ATOM 0 HG SER E 917 -0.609 25.498 1.117 1.00 69.76 H new ATOM 2298 N ILE E 918 -2.799 28.694 2.274 1.00 41.29 N ATOM 2299 CA ILE E 918 -3.318 29.847 1.546 1.00 35.17 C ATOM 2300 C ILE E 918 -4.329 30.642 2.362 1.00 39.61 C ATOM 2301 O ILE E 918 -4.980 31.541 1.834 1.00 38.64 O ATOM 2302 CB ILE E 918 -3.978 29.429 0.219 1.00 41.61 C ATOM 2303 CG1 ILE E 918 -5.059 28.373 0.468 1.00 50.38 C ATOM 2304 CG2 ILE E 918 -2.932 28.911 -0.753 1.00 45.60 C ATOM 2305 CD1 ILE E 918 -5.910 28.068 -0.752 1.00 66.06 C ATOM 0 H ILE E 918 -3.335 28.023 2.315 1.00 41.29 H new ATOM 0 HA ILE E 918 -2.549 30.410 1.366 1.00 35.17 H new ATOM 0 HB ILE E 918 -4.400 30.208 -0.176 1.00 41.61 H new ATOM 0 HG12 ILE E 918 -4.636 27.554 0.770 1.00 50.38 H new ATOM 0 HG13 ILE E 918 -5.636 28.676 1.187 1.00 50.38 H new ATOM 0 HG21 ILE E 918 -3.362 28.652 -1.583 1.00 45.60 H new ATOM 0 HG22 ILE E 918 -2.281 29.608 -0.930 1.00 45.60 H new ATOM 0 HG23 ILE E 918 -2.484 28.142 -0.367 1.00 45.60 H new ATOM 0 HD11 ILE E 918 -6.571 27.395 -0.526 1.00 66.06 H new ATOM 0 HD12 ILE E 918 -6.359 28.877 -1.044 1.00 66.06 H new ATOM 0 HD13 ILE E 918 -5.344 27.737 -1.467 1.00 66.06 H new ATOM 2306 N TRP E 919 -4.454 30.313 3.645 1.00 48.11 N ATOM 2307 CA TRP E 919 -5.345 31.049 4.536 1.00 35.54 C ATOM 2308 C TRP E 919 -4.912 32.504 4.657 1.00 43.92 C ATOM 2309 O TRP E 919 -3.738 32.794 4.890 1.00 48.96 O ATOM 2310 CB TRP E 919 -5.383 30.409 5.926 1.00 39.45 C ATOM 2311 CG TRP E 919 -6.190 29.149 6.010 1.00 44.38 C ATOM 2312 CD1 TRP E 919 -6.854 28.530 4.992 1.00 42.08 C ATOM 2313 CD2 TRP E 919 -6.420 28.356 7.181 1.00 49.62 C ATOM 2314 NE1 TRP E 919 -7.482 27.398 5.456 1.00 46.75 N ATOM 2315 CE2 TRP E 919 -7.231 27.269 6.798 1.00 52.96 C ATOM 2316 CE3 TRP E 919 -6.019 28.458 8.517 1.00 43.79 C ATOM 2317 CZ2 TRP E 919 -7.648 26.292 7.700 1.00 54.46 C ATOM 2318 CZ3 TRP E 919 -6.434 27.486 9.413 1.00 38.74 C ATOM 2319 CH2 TRP E 919 -7.239 26.418 9.000 1.00 30.56 C ATOM 0 H TRP E 919 -4.030 29.665 4.020 1.00 48.11 H new ATOM 0 HA TRP E 919 -6.235 31.015 4.151 1.00 35.54 H new ATOM 0 HB2 TRP E 919 -4.474 30.217 6.206 1.00 39.45 H new ATOM 0 HB3 TRP E 919 -5.743 31.053 6.556 1.00 39.45 H new ATOM 0 HD1 TRP E 919 -6.878 28.830 4.112 1.00 42.08 H new ATOM 0 HE1 TRP E 919 -7.955 26.859 4.982 1.00 46.75 H new ATOM 0 HE3 TRP E 919 -5.484 29.165 8.799 1.00 43.79 H new ATOM 0 HZ2 TRP E 919 -8.184 25.582 7.429 1.00 54.46 H new ATOM 0 HZ3 TRP E 919 -6.173 27.544 10.304 1.00 38.74 H new ATOM 0 HH2 TRP E 919 -7.502 25.780 9.623 1.00 30.56 H new ATOM 2320 N THR E 920 -5.863 33.419 4.501 1.00 32.89 N ATOM 2321 CA THR E 920 -5.581 34.841 4.647 1.00 37.17 C ATOM 2322 C THR E 920 -5.398 35.196 6.117 1.00 42.68 C ATOM 2323 O THR E 920 -5.462 34.328 6.987 1.00 39.10 O ATOM 2324 CB THR E 920 -6.705 35.706 4.054 1.00 43.63 C ATOM 2325 OG1 THR E 920 -7.916 35.491 4.790 1.00 43.57 O ATOM 2326 CG2 THR E 920 -6.934 35.350 2.594 1.00 55.12 C ATOM 0 H THR E 920 -6.681 33.235 4.310 1.00 32.89 H new ATOM 0 HA THR E 920 -4.763 35.024 4.160 1.00 37.17 H new ATOM 0 HB THR E 920 -6.445 36.638 4.114 1.00 43.63 H new ATOM 0 HG1 THR E 920 -8.529 35.965 4.466 1.00 43.57 H new ATOM 0 HG21 THR E 920 -7.645 35.903 2.234 1.00 55.12 H new ATOM 0 HG22 THR E 920 -6.119 35.504 2.091 1.00 55.12 H new ATOM 0 HG23 THR E 920 -7.185 34.416 2.524 1.00 55.12 H new ATOM 2327 N VAL E 921 -5.172 36.475 6.392 1.00 46.98 N ATOM 2328 CA VAL E 921 -5.048 36.944 7.766 1.00 33.41 C ATOM 2329 C VAL E 921 -6.386 36.798 8.488 1.00 33.98 C ATOM 2330 O VAL E 921 -6.432 36.471 9.675 1.00 35.11 O ATOM 2331 CB VAL E 921 -4.574 38.410 7.820 1.00 35.00 C ATOM 2332 CG1 VAL E 921 -4.445 38.880 9.258 1.00 35.37 C ATOM 2333 CG2 VAL E 921 -3.247 38.560 7.093 1.00 44.97 C ATOM 0 H VAL E 921 -5.087 37.089 5.796 1.00 46.98 H new ATOM 0 HA VAL E 921 -4.380 36.399 8.211 1.00 33.41 H new ATOM 0 HB VAL E 921 -5.237 38.963 7.378 1.00 35.00 H new ATOM 0 HG11 VAL E 921 -4.146 39.803 9.271 1.00 35.37 H new ATOM 0 HG12 VAL E 921 -5.306 38.813 9.699 1.00 35.37 H new ATOM 0 HG13 VAL E 921 -3.800 38.325 9.723 1.00 35.37 H new ATOM 0 HG21 VAL E 921 -2.959 39.485 7.133 1.00 44.97 H new ATOM 0 HG22 VAL E 921 -2.581 37.995 7.515 1.00 44.97 H new ATOM 0 HG23 VAL E 921 -3.354 38.295 6.166 1.00 44.97 H new ATOM 2334 N ASP E 922 -7.476 37.021 7.759 1.00 42.64 N ATOM 2335 CA ASP E 922 -8.813 36.913 8.334 1.00 47.62 C ATOM 2336 C ASP E 922 -9.273 35.462 8.457 1.00 38.97 C ATOM 2337 O ASP E 922 -10.085 35.137 9.323 1.00 44.35 O ATOM 2338 CB ASP E 922 -9.820 37.710 7.504 1.00 32.34 C ATOM 2339 CG ASP E 922 -9.709 39.204 7.733 1.00 49.70 C ATOM 2340 OD1 ASP E 922 -9.041 39.609 8.707 1.00 62.49 O ATOM 2341 OD2 ASP E 922 -10.300 39.974 6.950 1.00 51.87 O1+ ATOM 0 H ASP E 922 -7.462 37.237 6.927 1.00 42.64 H new ATOM 0 HA ASP E 922 -8.767 37.284 9.229 1.00 47.62 H new ATOM 0 HB2 ASP E 922 -9.682 37.519 6.563 1.00 32.34 H new ATOM 0 HB3 ASP E 922 -10.719 37.418 7.724 1.00 32.34 H new ATOM 2342 N ASP E 923 -8.760 34.593 7.592 1.00 37.74 N ATOM 2343 CA ASP E 923 -9.079 33.171 7.674 1.00 30.96 C ATOM 2344 C ASP E 923 -8.481 32.563 8.938 1.00 34.54 C ATOM 2345 O ASP E 923 -9.057 31.655 9.536 1.00 36.64 O ATOM 2346 CB ASP E 923 -8.571 32.421 6.439 1.00 41.74 C ATOM 2347 CG ASP E 923 -9.371 32.742 5.190 1.00 51.87 C ATOM 2348 OD1 ASP E 923 -10.455 33.351 5.314 1.00 69.90 O ATOM 2349 OD2 ASP E 923 -8.921 32.374 4.084 1.00 48.78 O1+ ATOM 0 H ASP E 923 -8.227 34.805 6.952 1.00 37.74 H new ATOM 0 HA ASP E 923 -10.044 33.083 7.708 1.00 30.96 H new ATOM 0 HB2 ASP E 923 -7.639 32.646 6.289 1.00 41.74 H new ATOM 0 HB3 ASP E 923 -8.609 31.466 6.607 1.00 41.74 H new ATOM 2350 N VAL E 924 -7.323 33.075 9.341 1.00 47.16 N ATOM 2351 CA VAL E 924 -6.641 32.598 10.538 1.00 43.69 C ATOM 2352 C VAL E 924 -7.339 33.110 11.797 1.00 41.27 C ATOM 2353 O VAL E 924 -7.447 32.392 12.792 1.00 39.56 O ATOM 2354 CB VAL E 924 -5.158 33.026 10.539 1.00 42.45 C ATOM 2355 CG1 VAL E 924 -4.496 32.708 11.870 1.00 45.13 C ATOM 2356 CG2 VAL E 924 -4.421 32.339 9.406 1.00 36.26 C ATOM 0 H VAL E 924 -6.911 33.708 8.929 1.00 47.16 H new ATOM 0 HA VAL E 924 -6.678 31.629 10.534 1.00 43.69 H new ATOM 0 HB VAL E 924 -5.118 33.986 10.409 1.00 42.45 H new ATOM 0 HG11 VAL E 924 -3.567 32.986 11.844 1.00 45.13 H new ATOM 0 HG12 VAL E 924 -4.955 33.181 12.581 1.00 45.13 H new ATOM 0 HG13 VAL E 924 -4.543 31.753 12.035 1.00 45.13 H new ATOM 0 HG21 VAL E 924 -3.490 32.612 9.412 1.00 36.26 H new ATOM 0 HG22 VAL E 924 -4.476 31.377 9.520 1.00 36.26 H new ATOM 0 HG23 VAL E 924 -4.825 32.587 8.560 1.00 36.26 H new ATOM 2357 N TRP E 925 -7.824 34.347 11.742 1.00 32.27 N ATOM 2358 CA TRP E 925 -8.570 34.931 12.851 1.00 34.46 C ATOM 2359 C TRP E 925 -9.785 34.081 13.200 1.00 34.71 C ATOM 2360 O TRP E 925 -10.067 33.836 14.372 1.00 36.13 O ATOM 2361 CB TRP E 925 -9.010 36.358 12.513 1.00 36.60 C ATOM 2362 CG TRP E 925 -9.794 37.021 13.606 1.00 29.57 C ATOM 2363 CD1 TRP E 925 -9.307 37.847 14.576 1.00 37.85 C ATOM 2364 CD2 TRP E 925 -11.204 36.914 13.842 1.00 32.53 C ATOM 2365 NE1 TRP E 925 -10.323 38.259 15.401 1.00 52.69 N ATOM 2366 CE2 TRP E 925 -11.498 37.700 14.973 1.00 46.99 C ATOM 2367 CE3 TRP E 925 -12.245 36.229 13.208 1.00 33.72 C ATOM 2368 CZ2 TRP E 925 -12.790 37.821 15.484 1.00 53.52 C ATOM 2369 CZ3 TRP E 925 -13.525 36.348 13.717 1.00 35.96 C ATOM 2370 CH2 TRP E 925 -13.787 37.139 14.843 1.00 47.81 C ATOM 0 H TRP E 925 -7.730 34.868 11.065 1.00 32.27 H new ATOM 0 HA TRP E 925 -7.982 34.958 13.622 1.00 34.46 H new ATOM 0 HB2 TRP E 925 -8.224 36.893 12.319 1.00 36.60 H new ATOM 0 HB3 TRP E 925 -9.547 36.340 11.706 1.00 36.60 H new ATOM 0 HD1 TRP E 925 -8.415 38.095 14.665 1.00 37.85 H new ATOM 0 HE1 TRP E 925 -10.236 38.783 16.077 1.00 52.69 H new ATOM 0 HE3 TRP E 925 -12.080 35.704 12.459 1.00 33.72 H new ATOM 0 HZ2 TRP E 925 -12.967 38.345 16.232 1.00 53.52 H new ATOM 0 HZ3 TRP E 925 -14.225 35.895 13.304 1.00 35.96 H new ATOM 0 HH2 TRP E 925 -14.658 37.202 15.162 1.00 47.81 H new ATOM 2371 N ALA E 926 -10.501 33.637 12.171 1.00 32.52 N ATOM 2372 CA ALA E 926 -11.696 32.823 12.353 1.00 32.33 C ATOM 2373 C ALA E 926 -11.345 31.445 12.898 1.00 31.30 C ATOM 2374 O ALA E 926 -12.124 30.841 13.633 1.00 38.42 O ATOM 2375 CB ALA E 926 -12.453 32.696 11.042 1.00 27.84 C ATOM 0 H ALA E 926 -10.307 33.800 11.349 1.00 32.52 H new ATOM 0 HA ALA E 926 -12.265 33.266 13.002 1.00 32.33 H new ATOM 0 HB1 ALA E 926 -13.245 32.153 11.177 1.00 27.84 H new ATOM 0 HB2 ALA E 926 -12.715 33.577 10.733 1.00 27.84 H new ATOM 0 HB3 ALA E 926 -11.883 32.277 10.378 1.00 27.84 H new ATOM 2376 N PHE E 927 -10.168 30.953 12.529 1.00 38.11 N ATOM 2377 CA PHE E 927 -9.695 29.661 13.008 1.00 37.15 C ATOM 2378 C PHE E 927 -9.423 29.702 14.506 1.00 36.00 C ATOM 2379 O PHE E 927 -9.872 28.830 15.249 1.00 43.88 O ATOM 2380 CB PHE E 927 -8.435 29.236 12.252 1.00 39.17 C ATOM 2381 CG PHE E 927 -7.742 28.046 12.851 1.00 39.41 C ATOM 2382 CD1 PHE E 927 -8.318 26.787 12.790 1.00 49.18 C ATOM 2383 CD2 PHE E 927 -6.511 28.185 13.469 1.00 37.39 C ATOM 2384 CE1 PHE E 927 -7.681 25.690 13.340 1.00 41.06 C ATOM 2385 CE2 PHE E 927 -5.868 27.092 14.021 1.00 42.73 C ATOM 2386 CZ PHE E 927 -6.455 25.843 13.956 1.00 45.95 C ATOM 0 H PHE E 927 -9.625 31.356 11.998 1.00 38.11 H new ATOM 0 HA PHE E 927 -10.392 29.007 12.843 1.00 37.15 H new ATOM 0 HB2 PHE E 927 -8.672 29.033 11.333 1.00 39.17 H new ATOM 0 HB3 PHE E 927 -7.816 29.982 12.227 1.00 39.17 H new ATOM 0 HD1 PHE E 927 -9.143 26.679 12.374 1.00 49.18 H new ATOM 0 HD2 PHE E 927 -6.112 29.024 13.514 1.00 37.39 H new ATOM 0 HE1 PHE E 927 -8.078 24.850 13.295 1.00 41.06 H new ATOM 0 HE2 PHE E 927 -5.042 27.198 14.435 1.00 42.73 H new ATOM 0 HZ PHE E 927 -6.025 25.106 14.327 1.00 45.95 H new ATOM 2387 N ILE E 928 -8.688 30.721 14.941 1.00 39.15 N ATOM 2388 CA ILE E 928 -8.369 30.892 16.355 1.00 38.16 C ATOM 2389 C ILE E 928 -9.629 31.201 17.158 1.00 29.14 C ATOM 2390 O ILE E 928 -9.785 30.744 18.290 1.00 31.44 O ATOM 2391 CB ILE E 928 -7.333 32.019 16.572 1.00 41.36 C ATOM 2392 CG1 ILE E 928 -6.119 31.817 15.662 1.00 24.13 C ATOM 2393 CG2 ILE E 928 -6.903 32.085 18.030 1.00 30.28 C ATOM 2394 CD1 ILE E 928 -5.374 30.527 15.911 1.00 31.94 C ATOM 0 H ILE E 928 -8.362 31.330 14.428 1.00 39.15 H new ATOM 0 HA ILE E 928 -7.985 30.057 16.665 1.00 38.16 H new ATOM 0 HB ILE E 928 -7.752 32.863 16.341 1.00 41.36 H new ATOM 0 HG12 ILE E 928 -6.412 31.837 14.738 1.00 24.13 H new ATOM 0 HG13 ILE E 928 -5.508 32.561 15.782 1.00 24.13 H new ATOM 0 HG21 ILE E 928 -6.254 32.797 18.144 1.00 30.28 H new ATOM 0 HG22 ILE E 928 -7.677 32.260 18.588 1.00 30.28 H new ATOM 0 HG23 ILE E 928 -6.503 31.240 18.288 1.00 30.28 H new ATOM 0 HD11 ILE E 928 -4.621 30.465 15.303 1.00 31.94 H new ATOM 0 HD12 ILE E 928 -5.052 30.510 16.826 1.00 31.94 H new ATOM 0 HD13 ILE E 928 -5.970 29.776 15.765 1.00 31.94 H new ATOM 2395 N HIS E 929 -10.530 31.971 16.559 1.00 36.52 N ATOM 2396 CA HIS E 929 -11.778 32.347 17.214 1.00 34.69 C ATOM 2397 C HIS E 929 -12.650 31.127 17.501 1.00 38.65 C ATOM 2398 O HIS E 929 -13.403 31.106 18.474 1.00 44.65 O ATOM 2399 CB HIS E 929 -12.546 33.352 16.355 1.00 40.08 C ATOM 2400 CG HIS E 929 -13.721 33.967 17.046 1.00 38.10 C ATOM 2401 ND1 HIS E 929 -14.978 33.401 17.026 1.00 36.90 N ATOM 2402 CD2 HIS E 929 -13.832 35.101 17.776 1.00 33.59 C ATOM 2403 CE1 HIS E 929 -15.811 34.158 17.715 1.00 42.11 C ATOM 2404 NE2 HIS E 929 -15.141 35.197 18.182 1.00 38.36 N ATOM 0 H HIS E 929 -10.437 32.289 15.765 1.00 36.52 H new ATOM 0 HA HIS E 929 -11.553 32.759 18.063 1.00 34.69 H new ATOM 0 HB2 HIS E 929 -11.940 34.057 16.078 1.00 40.08 H new ATOM 0 HB3 HIS E 929 -12.852 32.908 15.549 1.00 40.08 H new ATOM 0 HD2 HIS E 929 -13.149 35.703 17.967 1.00 33.59 H new ATOM 0 HE1 HIS E 929 -16.716 33.989 17.849 1.00 42.11 H new ATOM 0 HE2 HIS E 929 -15.471 35.830 18.662 1.00 38.36 H new ATOM 2405 N SER E 930 -12.539 30.110 16.651 1.00 42.95 N ATOM 2406 CA SER E 930 -13.322 28.888 16.805 1.00 37.55 C ATOM 2407 C SER E 930 -12.751 27.992 17.898 1.00 44.14 C ATOM 2408 O SER E 930 -13.383 27.017 18.304 1.00 38.12 O ATOM 2409 CB SER E 930 -13.383 28.119 15.485 1.00 41.86 C ATOM 2410 OG SER E 930 -12.108 27.613 15.129 1.00 42.10 O ATOM 0 H SER E 930 -12.011 30.109 15.972 1.00 42.95 H new ATOM 0 HA SER E 930 -14.219 29.149 17.064 1.00 37.55 H new ATOM 0 HB2 SER E 930 -14.014 27.387 15.563 1.00 41.86 H new ATOM 0 HB3 SER E 930 -13.710 28.702 14.782 1.00 41.86 H new ATOM 0 HG SER E 930 -11.574 28.252 15.018 1.00 42.10 H new ATOM 2411 N LEU E 931 -11.550 28.320 18.363 1.00 40.57 N ATOM 2412 CA LEU E 931 -10.910 27.563 19.432 1.00 36.37 C ATOM 2413 C LEU E 931 -11.417 28.035 20.790 1.00 31.13 C ATOM 2414 O LEU E 931 -11.610 29.233 20.998 1.00 42.02 O ATOM 2415 CB LEU E 931 -9.387 27.697 19.353 1.00 33.01 C ATOM 2416 CG LEU E 931 -8.734 27.337 18.016 1.00 43.07 C ATOM 2417 CD1 LEU E 931 -7.217 27.342 18.138 1.00 31.85 C ATOM 2418 CD2 LEU E 931 -9.233 25.991 17.509 1.00 40.51 C ATOM 0 H LEU E 931 -11.086 28.983 18.070 1.00 40.57 H new ATOM 0 HA LEU E 931 -11.138 26.626 19.324 1.00 36.37 H new ATOM 0 HB2 LEU E 931 -9.152 28.613 19.568 1.00 33.01 H new ATOM 0 HB3 LEU E 931 -8.997 27.135 20.041 1.00 33.01 H new ATOM 0 HG LEU E 931 -8.988 28.012 17.367 1.00 43.07 H new ATOM 0 HD11 LEU E 931 -6.823 27.112 17.282 1.00 31.85 H new ATOM 0 HD12 LEU E 931 -6.917 28.225 18.405 1.00 31.85 H new ATOM 0 HD13 LEU E 931 -6.944 26.692 18.805 1.00 31.85 H new ATOM 0 HD21 LEU E 931 -8.806 25.785 16.663 1.00 40.51 H new ATOM 0 HD22 LEU E 931 -9.017 25.301 18.156 1.00 40.51 H new ATOM 0 HD23 LEU E 931 -10.194 26.028 17.385 1.00 40.51 H new ATOM 2419 N PRO E 932 -11.634 27.092 21.721 1.00 34.10 N ATOM 2420 CA PRO E 932 -12.195 27.389 23.046 1.00 36.13 C ATOM 2421 C PRO E 932 -11.340 28.354 23.868 1.00 37.83 C ATOM 2422 O PRO E 932 -10.186 28.058 24.178 1.00 40.62 O ATOM 2423 CB PRO E 932 -12.259 26.010 23.716 1.00 34.85 C ATOM 2424 CG PRO E 932 -11.268 25.176 22.976 1.00 34.06 C ATOM 2425 CD PRO E 932 -11.324 25.661 21.564 1.00 32.77 C ATOM 0 HA PRO E 932 -13.053 27.837 22.977 1.00 36.13 H new ATOM 0 HB2 PRO E 932 -12.037 26.067 24.658 1.00 34.85 H new ATOM 0 HB3 PRO E 932 -13.150 25.632 23.657 1.00 34.85 H new ATOM 0 HG2 PRO E 932 -10.377 25.279 23.347 1.00 34.06 H new ATOM 0 HG3 PRO E 932 -11.492 24.234 23.032 1.00 34.06 H new ATOM 0 HD2 PRO E 932 -10.482 25.524 21.103 1.00 32.77 H new ATOM 0 HD3 PRO E 932 -12.006 25.199 21.052 1.00 32.77 H new ATOM 2426 N GLY E 933 -11.914 29.505 24.209 1.00 33.64 N ATOM 2427 CA GLY E 933 -11.235 30.490 25.030 1.00 27.71 C ATOM 2428 C GLY E 933 -10.258 31.365 24.270 1.00 31.83 C ATOM 2429 O GLY E 933 -9.585 32.211 24.861 1.00 38.16 O ATOM 0 H GLY E 933 -12.708 29.733 23.969 1.00 33.64 H new ATOM 0 HA2 GLY E 933 -11.899 31.056 25.454 1.00 27.71 H new ATOM 0 HA3 GLY E 933 -10.759 30.032 25.740 1.00 27.71 H new ATOM 2430 N CYS E 934 -10.182 31.170 22.958 1.00 34.48 N ATOM 2431 CA CYS E 934 -9.239 31.911 22.128 1.00 32.56 C ATOM 2432 C CYS E 934 -9.931 32.951 21.251 1.00 34.21 C ATOM 2433 O CYS E 934 -9.369 33.396 20.250 1.00 39.10 O ATOM 2434 CB CYS E 934 -8.439 30.949 21.248 1.00 33.63 C ATOM 2435 SG CYS E 934 -7.497 29.707 22.151 1.00 41.47 S ATOM 0 H CYS E 934 -10.671 30.609 22.527 1.00 34.48 H new ATOM 0 HA CYS E 934 -8.642 32.383 22.729 1.00 32.56 H new ATOM 0 HB2 CYS E 934 -9.050 30.498 20.645 1.00 33.63 H new ATOM 0 HB3 CYS E 934 -7.828 31.465 20.699 1.00 33.63 H new ATOM 0 HG CYS E 934 -7.070 28.891 21.382 1.00 41.47 H new ATOM 2436 N GLN E 935 -11.145 33.341 21.627 1.00 32.24 N ATOM 2437 CA GLN E 935 -11.913 34.291 20.828 1.00 37.54 C ATOM 2438 C GLN E 935 -11.308 35.691 20.866 1.00 44.99 C ATOM 2439 O GLN E 935 -11.298 36.395 19.856 1.00 45.29 O ATOM 2440 CB GLN E 935 -13.369 34.339 21.298 1.00 40.83 C ATOM 2441 CG GLN E 935 -14.126 33.039 21.089 1.00 50.14 C ATOM 2442 CD GLN E 935 -15.630 33.223 21.149 1.00 80.78 C ATOM 2443 OE1 GLN E 935 -16.130 34.349 21.198 1.00 83.74 O ATOM 2444 NE2 GLN E 935 -16.363 32.115 21.143 1.00 87.81 N ATOM 0 H GLN E 935 -11.542 33.068 22.340 1.00 32.24 H new ATOM 0 HA GLN E 935 -11.883 33.980 19.910 1.00 37.54 H new ATOM 0 HB2 GLN E 935 -13.388 34.566 22.241 1.00 40.83 H new ATOM 0 HB3 GLN E 935 -13.829 35.050 20.826 1.00 40.83 H new ATOM 0 HG2 GLN E 935 -13.884 32.663 20.228 1.00 50.14 H new ATOM 0 HG3 GLN E 935 -13.855 32.399 21.765 1.00 50.14 H new ATOM 0 HE21 GLN E 935 -15.980 31.346 21.108 1.00 87.81 H new ATOM 0 HE22 GLN E 935 -17.221 32.167 21.174 1.00 87.81 H new ATOM 2445 N ASP E 936 -10.801 36.088 22.028 1.00 43.04 N ATOM 2446 CA ASP E 936 -10.189 37.403 22.181 1.00 43.06 C ATOM 2447 C ASP E 936 -8.766 37.424 21.639 1.00 45.59 C ATOM 2448 O ASP E 936 -8.349 38.391 21.000 1.00 44.25 O ATOM 2449 CB ASP E 936 -10.190 37.828 23.650 1.00 58.44 C ATOM 2450 CG ASP E 936 -11.582 38.143 24.164 1.00 77.20 C ATOM 2451 OD1 ASP E 936 -12.368 38.764 23.416 1.00 72.28 O ATOM 2452 OD2 ASP E 936 -11.890 37.766 25.316 1.00 98.22 O1+ ATOM 0 H ASP E 936 -10.801 35.609 22.742 1.00 43.04 H new ATOM 0 HA ASP E 936 -10.719 38.031 21.666 1.00 43.06 H new ATOM 0 HB2 ASP E 936 -9.802 37.120 24.188 1.00 58.44 H new ATOM 0 HB3 ASP E 936 -9.624 38.609 23.758 1.00 58.44 H new ATOM 2453 N ILE E 937 -8.026 36.351 21.896 1.00 43.58 N ATOM 2454 CA ILE E 937 -6.629 36.260 21.486 1.00 42.34 C ATOM 2455 C ILE E 937 -6.510 36.200 19.960 1.00 51.27 C ATOM 2456 O ILE E 937 -5.465 36.526 19.394 1.00 52.91 O ATOM 2457 CB ILE E 937 -5.938 35.030 22.136 1.00 36.80 C ATOM 2458 CG1 ILE E 937 -4.692 35.463 22.913 1.00 68.60 C ATOM 2459 CG2 ILE E 937 -5.613 33.952 21.109 1.00 42.11 C ATOM 2460 CD1 ILE E 937 -3.767 36.372 22.136 1.00 66.15 C ATOM 0 H ILE E 937 -8.318 35.657 22.312 1.00 43.58 H new ATOM 0 HA ILE E 937 -6.176 37.060 21.795 1.00 42.34 H new ATOM 0 HB ILE E 937 -6.563 34.636 22.764 1.00 36.80 H new ATOM 0 HG12 ILE E 937 -4.970 35.917 23.724 1.00 68.60 H new ATOM 0 HG13 ILE E 937 -4.200 34.672 23.184 1.00 68.60 H new ATOM 0 HG21 ILE E 937 -5.184 33.203 21.551 1.00 42.11 H new ATOM 0 HG22 ILE E 937 -6.432 33.651 20.685 1.00 42.11 H new ATOM 0 HG23 ILE E 937 -5.016 34.315 20.436 1.00 42.11 H new ATOM 0 HD11 ILE E 937 -3.004 36.605 22.687 1.00 66.15 H new ATOM 0 HD12 ILE E 937 -3.461 35.916 21.337 1.00 66.15 H new ATOM 0 HD13 ILE E 937 -4.242 37.180 21.885 1.00 66.15 H new ATOM 2461 N ALA E 938 -7.597 35.805 19.303 1.00 43.93 N ATOM 2462 CA ALA E 938 -7.643 35.734 17.847 1.00 32.53 C ATOM 2463 C ALA E 938 -7.364 37.094 17.216 1.00 44.39 C ATOM 2464 O ALA E 938 -6.771 37.180 16.142 1.00 48.39 O ATOM 2465 CB ALA E 938 -8.993 35.207 17.388 1.00 41.23 C ATOM 0 H ALA E 938 -8.329 35.571 19.690 1.00 43.93 H new ATOM 0 HA ALA E 938 -6.949 35.122 17.556 1.00 32.53 H new ATOM 0 HB1 ALA E 938 -9.012 35.164 16.419 1.00 41.23 H new ATOM 0 HB2 ALA E 938 -9.135 34.320 17.753 1.00 41.23 H new ATOM 0 HB3 ALA E 938 -9.695 35.800 17.699 1.00 41.23 H new ATOM 2466 N ASP E 939 -7.789 38.155 17.896 1.00 37.20 N ATOM 2467 CA ASP E 939 -7.592 39.513 17.403 1.00 47.88 C ATOM 2468 C ASP E 939 -6.116 39.901 17.358 1.00 45.27 C ATOM 2469 O ASP E 939 -5.723 40.772 16.581 1.00 42.10 O ATOM 2470 CB ASP E 939 -8.366 40.509 18.268 1.00 39.31 C ATOM 2471 CG ASP E 939 -9.863 40.450 18.029 1.00 35.79 C ATOM 2472 OD1 ASP E 939 -10.271 40.203 16.875 1.00 36.76 O ATOM 2473 OD2 ASP E 939 -10.631 40.652 18.994 1.00 49.42 O1+ ATOM 0 H ASP E 939 -8.197 38.108 18.652 1.00 37.20 H new ATOM 0 HA ASP E 939 -7.930 39.540 16.494 1.00 47.88 H new ATOM 0 HB2 ASP E 939 -8.184 40.329 19.204 1.00 39.31 H new ATOM 0 HB3 ASP E 939 -8.048 41.407 18.085 1.00 39.31 H new ATOM 2474 N GLU E 940 -5.302 39.256 18.188 1.00 45.84 N ATOM 2475 CA GLU E 940 -3.868 39.529 18.206 1.00 48.46 C ATOM 2476 C GLU E 940 -3.180 38.888 17.005 1.00 49.55 C ATOM 2477 O GLU E 940 -2.238 39.448 16.445 1.00 51.83 O ATOM 2478 CB GLU E 940 -3.239 39.030 19.509 1.00 58.08 C ATOM 2479 CG GLU E 940 -1.732 39.245 19.610 1.00 55.19 C ATOM 2480 CD GLU E 940 -1.342 40.705 19.781 1.00 63.18 C ATOM 2481 OE1 GLU E 940 -2.243 41.562 19.910 1.00 65.86 O ATOM 2482 OE2 GLU E 940 -0.126 40.997 19.791 1.00 62.05 O1+ ATOM 0 H GLU E 940 -5.560 38.657 18.749 1.00 45.84 H new ATOM 0 HA GLU E 940 -3.744 40.490 18.153 1.00 48.46 H new ATOM 0 HB2 GLU E 940 -3.668 39.479 20.254 1.00 58.08 H new ATOM 0 HB3 GLU E 940 -3.426 38.083 19.602 1.00 58.08 H new ATOM 0 HG2 GLU E 940 -1.389 38.735 20.360 1.00 55.19 H new ATOM 0 HG3 GLU E 940 -1.308 38.895 18.811 1.00 55.19 H new ATOM 2483 N PHE E 941 -3.659 37.712 16.614 1.00 49.67 N ATOM 2484 CA PHE E 941 -3.176 37.047 15.410 1.00 42.76 C ATOM 2485 C PHE E 941 -3.450 37.905 14.181 1.00 43.78 C ATOM 2486 O PHE E 941 -2.635 37.975 13.263 1.00 52.45 O ATOM 2487 CB PHE E 941 -3.835 35.677 15.249 1.00 42.90 C ATOM 2488 CG PHE E 941 -3.245 34.610 16.124 1.00 39.87 C ATOM 2489 CD1 PHE E 941 -3.469 34.610 17.491 1.00 34.38 C ATOM 2490 CD2 PHE E 941 -2.473 33.600 15.577 1.00 27.38 C ATOM 2491 CE1 PHE E 941 -2.927 33.626 18.295 1.00 41.27 C ATOM 2492 CE2 PHE E 941 -1.930 32.614 16.375 1.00 31.40 C ATOM 2493 CZ PHE E 941 -2.157 32.626 17.735 1.00 32.36 C ATOM 0 H PHE E 941 -4.270 37.279 17.037 1.00 49.67 H new ATOM 0 HA PHE E 941 -2.218 36.922 15.497 1.00 42.76 H new ATOM 0 HB2 PHE E 941 -4.781 35.758 15.447 1.00 42.90 H new ATOM 0 HB3 PHE E 941 -3.762 35.400 14.322 1.00 42.90 H new ATOM 0 HD1 PHE E 941 -3.990 35.280 17.872 1.00 34.38 H new ATOM 0 HD2 PHE E 941 -2.318 33.586 14.660 1.00 27.38 H new ATOM 0 HE1 PHE E 941 -3.081 33.637 19.212 1.00 41.27 H new ATOM 0 HE2 PHE E 941 -1.411 31.942 15.996 1.00 31.40 H new ATOM 0 HZ PHE E 941 -1.792 31.962 18.274 1.00 32.36 H new ATOM 2494 N ARG E 942 -4.607 38.557 14.176 1.00 44.77 N ATOM 2495 CA ARG E 942 -4.991 39.432 13.077 1.00 51.59 C ATOM 2496 C ARG E 942 -4.164 40.714 13.107 1.00 41.35 C ATOM 2497 O ARG E 942 -3.832 41.276 12.063 1.00 50.74 O ATOM 2498 CB ARG E 942 -6.482 39.760 13.150 1.00 46.99 C ATOM 2499 CG ARG E 942 -7.162 39.875 11.798 1.00 51.03 C ATOM 2500 CD ARG E 942 -8.601 40.343 11.947 1.00 75.58 C ATOM 2501 NE ARG E 942 -8.689 41.786 12.147 1.00105.06 N ATOM 2502 CZ ARG E 942 -8.915 42.661 11.172 1.00124.30 C ATOM 2503 NH1 ARG E 942 -9.084 42.237 9.927 1.00121.02 N1+ ATOM 2504 NH2 ARG E 942 -8.977 43.958 11.442 1.00122.53 N ATOM 0 H ARG E 942 -5.189 38.505 14.807 1.00 44.77 H new ATOM 0 HA ARG E 942 -4.818 38.971 12.241 1.00 51.59 H new ATOM 0 HB2 ARG E 942 -6.929 39.072 13.668 1.00 46.99 H new ATOM 0 HB3 ARG E 942 -6.596 40.595 13.630 1.00 46.99 H new ATOM 0 HG2 ARG E 942 -6.672 40.498 11.238 1.00 51.03 H new ATOM 0 HG3 ARG E 942 -7.143 39.015 11.349 1.00 51.03 H new ATOM 0 HD2 ARG E 942 -9.104 40.096 11.155 1.00 75.58 H new ATOM 0 HD3 ARG E 942 -9.012 39.888 12.698 1.00 75.58 H new ATOM 0 HE ARG E 942 -8.588 42.089 12.945 1.00105.06 H new ATOM 0 HH11 ARG E 942 -9.047 41.396 9.750 1.00121.02 H new ATOM 0 HH12 ARG E 942 -9.230 42.803 9.296 1.00121.02 H new ATOM 0 HH21 ARG E 942 -8.871 44.235 12.249 1.00122.53 H new ATOM 0 HH22 ARG E 942 -9.123 44.522 10.810 1.00122.53 H new ATOM 2505 N ALA E 943 -3.833 41.166 14.312 1.00 36.18 N ATOM 2506 CA ALA E 943 -3.046 42.381 14.490 1.00 38.61 C ATOM 2507 C ALA E 943 -1.619 42.209 13.975 1.00 60.10 C ATOM 2508 O ALA E 943 -1.086 43.094 13.309 1.00 65.11 O ATOM 2509 CB ALA E 943 -3.033 42.791 15.953 1.00 31.72 C ATOM 0 H ALA E 943 -4.057 40.779 15.047 1.00 36.18 H new ATOM 0 HA ALA E 943 -3.465 43.083 13.967 1.00 38.61 H new ATOM 0 HB1 ALA E 943 -2.507 43.599 16.058 1.00 31.72 H new ATOM 0 HB2 ALA E 943 -3.941 42.956 16.251 1.00 31.72 H new ATOM 0 HB3 ALA E 943 -2.642 42.080 16.485 1.00 31.72 H new ATOM 2510 N GLN E 944 -1.007 41.066 14.275 1.00 61.97 N ATOM 2511 CA GLN E 944 0.367 40.802 13.851 1.00 50.70 C ATOM 2512 C GLN E 944 0.439 40.278 12.419 1.00 40.14 C ATOM 2513 O GLN E 944 1.496 39.836 11.966 1.00 37.39 O ATOM 2514 CB GLN E 944 1.044 39.815 14.807 1.00 53.48 C ATOM 2515 CG GLN E 944 1.210 40.332 16.231 1.00 45.65 C ATOM 2516 CD GLN E 944 2.072 41.579 16.322 1.00 37.77 C ATOM 2517 OE1 GLN E 944 1.632 42.682 15.994 1.00 55.08 O ATOM 2518 NE2 GLN E 944 3.306 41.409 16.775 1.00 61.90 N ATOM 0 H GLN E 944 -1.370 40.429 14.724 1.00 61.97 H new ATOM 0 HA GLN E 944 0.840 41.649 13.876 1.00 50.70 H new ATOM 0 HB2 GLN E 944 0.525 38.996 14.830 1.00 53.48 H new ATOM 0 HB3 GLN E 944 1.918 39.587 14.453 1.00 53.48 H new ATOM 0 HG2 GLN E 944 0.335 40.524 16.603 1.00 45.65 H new ATOM 0 HG3 GLN E 944 1.603 39.634 16.778 1.00 45.65 H new ATOM 0 HE21 GLN E 944 3.579 40.624 16.995 1.00 61.90 H new ATOM 0 HE22 GLN E 944 3.834 42.084 16.849 1.00 61.90 H new ATOM 2519 N GLU E 945 -0.693 40.338 11.721 1.00 46.08 N ATOM 2520 CA GLU E 945 -0.790 39.941 10.321 1.00 55.30 C ATOM 2521 C GLU E 945 -0.308 38.513 10.089 1.00 60.89 C ATOM 2522 O GLU E 945 0.525 38.260 9.219 1.00 52.12 O ATOM 2523 CB GLU E 945 -0.001 40.910 9.437 1.00 59.78 C ATOM 2524 CG GLU E 945 -0.468 42.352 9.533 1.00 58.54 C ATOM 2525 CD GLU E 945 0.333 43.289 8.649 1.00 76.64 C ATOM 2526 OE1 GLU E 945 0.962 42.809 7.680 1.00 65.77 O ATOM 2527 OE2 GLU E 945 0.339 44.506 8.931 1.00 93.35 O1+ ATOM 0 H GLU E 945 -1.436 40.615 12.054 1.00 46.08 H new ATOM 0 HA GLU E 945 -1.729 39.974 10.080 1.00 55.30 H new ATOM 0 HB2 GLU E 945 0.937 40.866 9.682 1.00 59.78 H new ATOM 0 HB3 GLU E 945 -0.067 40.619 8.514 1.00 59.78 H new ATOM 0 HG2 GLU E 945 -1.404 42.402 9.285 1.00 58.54 H new ATOM 0 HG3 GLU E 945 -0.403 42.648 10.454 1.00 58.54 H new ATOM 2528 N ILE E 946 -0.840 37.583 10.874 1.00 49.59 N ATOM 2529 CA ILE E 946 -0.496 36.176 10.725 1.00 44.87 C ATOM 2530 C ILE E 946 -1.452 35.485 9.766 1.00 42.09 C ATOM 2531 O ILE E 946 -2.601 35.213 10.113 1.00 37.62 O ATOM 2532 CB ILE E 946 -0.525 35.437 12.070 1.00 43.25 C ATOM 2533 CG1 ILE E 946 0.437 36.086 13.062 1.00 38.71 C ATOM 2534 CG2 ILE E 946 -0.183 33.964 11.879 1.00 35.29 C ATOM 2535 CD1 ILE E 946 0.316 35.504 14.439 1.00 40.16 C ATOM 0 H ILE E 946 -1.405 37.748 11.501 1.00 49.59 H new ATOM 0 HA ILE E 946 0.406 36.145 10.370 1.00 44.87 H new ATOM 0 HB ILE E 946 -1.423 35.499 12.432 1.00 43.25 H new ATOM 0 HG12 ILE E 946 1.347 35.975 12.746 1.00 38.71 H new ATOM 0 HG13 ILE E 946 0.264 37.040 13.100 1.00 38.71 H new ATOM 0 HG21 ILE E 946 -0.206 33.512 12.737 1.00 35.29 H new ATOM 0 HG22 ILE E 946 -0.830 33.556 11.282 1.00 35.29 H new ATOM 0 HG23 ILE E 946 0.705 33.885 11.496 1.00 35.29 H new ATOM 0 HD11 ILE E 946 0.943 35.945 15.033 1.00 40.16 H new ATOM 0 HD12 ILE E 946 -0.587 35.635 14.768 1.00 40.16 H new ATOM 0 HD13 ILE E 946 0.513 34.555 14.408 1.00 40.16 H new ATOM 2536 N ASP E 947 -0.977 35.215 8.555 1.00 42.45 N ATOM 2537 CA ASP E 947 -1.753 34.446 7.593 1.00 30.90 C ATOM 2538 C ASP E 947 -1.505 32.962 7.812 1.00 37.00 C ATOM 2539 O ASP E 947 -0.848 32.574 8.778 1.00 35.59 O ATOM 2540 CB ASP E 947 -1.407 34.848 6.158 1.00 38.08 C ATOM 2541 CG ASP E 947 0.086 34.959 5.922 1.00 44.62 C ATOM 2542 OD1 ASP E 947 0.867 34.341 6.674 1.00 39.50 O ATOM 2543 OD2 ASP E 947 0.482 35.669 4.975 1.00 54.80 O1+ ATOM 0 H ASP E 947 -0.206 35.469 8.271 1.00 42.45 H new ATOM 0 HA ASP E 947 -2.695 34.635 7.729 1.00 30.90 H new ATOM 0 HB2 ASP E 947 -1.779 34.195 5.545 1.00 38.08 H new ATOM 0 HB3 ASP E 947 -1.826 35.699 5.955 1.00 38.08 H new ATOM 2544 N GLY E 948 -2.037 32.134 6.921 1.00 33.96 N ATOM 2545 CA GLY E 948 -1.877 30.698 7.039 1.00 34.85 C ATOM 2546 C GLY E 948 -0.424 30.290 6.914 1.00 43.00 C ATOM 2547 O GLY E 948 0.007 29.294 7.496 1.00 29.75 O ATOM 0 H GLY E 948 -2.495 32.388 6.239 1.00 33.96 H new ATOM 0 HA2 GLY E 948 -2.225 30.402 7.894 1.00 34.85 H new ATOM 0 HA3 GLY E 948 -2.399 30.255 6.352 1.00 34.85 H new ATOM 2548 N GLN E 949 0.333 31.072 6.153 1.00 46.56 N ATOM 2549 CA GLN E 949 1.751 30.819 5.955 1.00 39.84 C ATOM 2550 C GLN E 949 2.521 31.009 7.258 1.00 31.38 C ATOM 2551 O GLN E 949 3.320 30.158 7.646 1.00 34.38 O ATOM 2552 CB GLN E 949 2.300 31.738 4.863 1.00 49.15 C ATOM 2553 CG GLN E 949 3.714 31.416 4.414 1.00 51.29 C ATOM 2554 CD GLN E 949 4.106 32.185 3.167 1.00 58.03 C ATOM 2555 OE1 GLN E 949 3.272 32.842 2.542 1.00 56.49 O ATOM 2556 NE2 GLN E 949 5.379 32.108 2.799 1.00 37.65 N ATOM 0 H GLN E 949 0.037 31.764 5.737 1.00 46.56 H new ATOM 0 HA GLN E 949 1.865 29.898 5.672 1.00 39.84 H new ATOM 0 HB2 GLN E 949 1.711 31.693 4.093 1.00 49.15 H new ATOM 0 HB3 GLN E 949 2.276 32.653 5.185 1.00 49.15 H new ATOM 0 HG2 GLN E 949 4.335 31.625 5.130 1.00 51.29 H new ATOM 0 HG3 GLN E 949 3.789 30.464 4.242 1.00 51.29 H new ATOM 0 HE21 GLN E 949 5.933 31.639 3.261 1.00 37.65 H new ATOM 0 HE22 GLN E 949 5.650 32.527 2.099 1.00 37.65 H new ATOM 2557 N ALA E 950 2.266 32.125 7.933 1.00 32.79 N ATOM 2558 CA ALA E 950 2.913 32.418 9.206 1.00 29.70 C ATOM 2559 C ALA E 950 2.408 31.491 10.307 1.00 31.01 C ATOM 2560 O ALA E 950 3.144 31.156 11.233 1.00 28.53 O ATOM 2561 CB ALA E 950 2.688 33.871 9.595 1.00 27.77 C ATOM 0 H ALA E 950 1.716 32.731 7.667 1.00 32.79 H new ATOM 0 HA ALA E 950 3.865 32.267 9.098 1.00 29.70 H new ATOM 0 HB1 ALA E 950 3.124 34.050 10.443 1.00 27.77 H new ATOM 0 HB2 ALA E 950 3.060 34.450 8.912 1.00 27.77 H new ATOM 0 HB3 ALA E 950 1.737 34.040 9.679 1.00 27.77 H new ATOM 2562 N LEU E 951 1.148 31.081 10.196 1.00 38.38 N ATOM 2563 CA LEU E 951 0.526 30.200 11.178 1.00 24.87 C ATOM 2564 C LEU E 951 1.243 28.855 11.264 1.00 29.25 C ATOM 2565 O LEU E 951 1.333 28.256 12.335 1.00 28.57 O ATOM 2566 CB LEU E 951 -0.950 29.983 10.836 1.00 39.15 C ATOM 2567 CG LEU E 951 -1.793 29.187 11.835 1.00 34.46 C ATOM 2568 CD1 LEU E 951 -2.010 29.988 13.109 1.00 32.16 C ATOM 2569 CD2 LEU E 951 -3.123 28.775 11.218 1.00 26.66 C ATOM 0 H LEU E 951 0.629 31.306 9.548 1.00 38.38 H new ATOM 0 HA LEU E 951 0.596 30.632 12.044 1.00 24.87 H new ATOM 0 HB2 LEU E 951 -1.363 30.853 10.722 1.00 39.15 H new ATOM 0 HB3 LEU E 951 -0.996 29.532 9.978 1.00 39.15 H new ATOM 0 HG LEU E 951 -1.309 28.378 12.064 1.00 34.46 H new ATOM 0 HD11 LEU E 951 -2.545 29.470 13.730 1.00 32.16 H new ATOM 0 HD12 LEU E 951 -1.152 30.191 13.514 1.00 32.16 H new ATOM 0 HD13 LEU E 951 -2.471 30.815 12.897 1.00 32.16 H new ATOM 0 HD21 LEU E 951 -3.640 28.273 11.868 1.00 26.66 H new ATOM 0 HD22 LEU E 951 -3.617 29.567 10.955 1.00 26.66 H new ATOM 0 HD23 LEU E 951 -2.961 28.222 10.438 1.00 26.66 H new ATOM 2570 N LEU E 952 1.754 28.388 10.129 1.00 39.21 N ATOM 2571 CA LEU E 952 2.447 27.106 10.069 1.00 36.47 C ATOM 2572 C LEU E 952 3.919 27.247 10.437 1.00 36.00 C ATOM 2573 O LEU E 952 4.598 26.257 10.706 1.00 42.10 O ATOM 2574 CB LEU E 952 2.314 26.493 8.673 1.00 36.60 C ATOM 2575 CG LEU E 952 0.887 26.189 8.209 1.00 48.00 C ATOM 2576 CD1 LEU E 952 0.882 25.637 6.793 1.00 55.59 C ATOM 2577 CD2 LEU E 952 0.212 25.219 9.166 1.00 47.64 C ATOM 0 H LEU E 952 1.709 28.802 9.377 1.00 39.21 H new ATOM 0 HA LEU E 952 2.031 26.517 10.718 1.00 36.47 H new ATOM 0 HB2 LEU E 952 2.722 27.097 8.033 1.00 36.60 H new ATOM 0 HB3 LEU E 952 2.825 25.669 8.651 1.00 36.60 H new ATOM 0 HG LEU E 952 0.385 27.019 8.208 1.00 48.00 H new ATOM 0 HD11 LEU E 952 -0.030 25.452 6.521 1.00 55.59 H new ATOM 0 HD12 LEU E 952 1.273 26.288 6.190 1.00 55.59 H new ATOM 0 HD13 LEU E 952 1.400 24.818 6.763 1.00 55.59 H new ATOM 0 HD21 LEU E 952 -0.690 25.036 8.859 1.00 47.64 H new ATOM 0 HD22 LEU E 952 0.716 24.391 9.197 1.00 47.64 H new ATOM 0 HD23 LEU E 952 0.178 25.610 10.053 1.00 47.64 H new ATOM 2578 N LEU E 953 4.406 28.483 10.447 1.00 39.75 N ATOM 2579 CA LEU E 953 5.796 28.756 10.795 1.00 39.51 C ATOM 2580 C LEU E 953 5.956 28.953 12.298 1.00 40.35 C ATOM 2581 O LEU E 953 7.072 28.962 12.817 1.00 35.70 O ATOM 2582 CB LEU E 953 6.304 29.989 10.047 1.00 27.23 C ATOM 2583 CG LEU E 953 6.458 29.846 8.532 1.00 35.41 C ATOM 2584 CD1 LEU E 953 6.822 31.181 7.907 1.00 42.12 C ATOM 2585 CD2 LEU E 953 7.503 28.794 8.197 1.00 36.16 C ATOM 0 H LEU E 953 3.944 29.182 10.254 1.00 39.75 H new ATOM 0 HA LEU E 953 6.325 27.988 10.530 1.00 39.51 H new ATOM 0 HB2 LEU E 953 5.696 30.724 10.223 1.00 27.23 H new ATOM 0 HB3 LEU E 953 7.165 30.237 10.419 1.00 27.23 H new ATOM 0 HG LEU E 953 5.608 29.557 8.163 1.00 35.41 H new ATOM 0 HD11 LEU E 953 6.916 31.074 6.947 1.00 42.12 H new ATOM 0 HD12 LEU E 953 6.123 31.827 8.093 1.00 42.12 H new ATOM 0 HD13 LEU E 953 7.660 31.496 8.281 1.00 42.12 H new ATOM 0 HD21 LEU E 953 7.587 28.717 7.234 1.00 36.16 H new ATOM 0 HD22 LEU E 953 8.357 29.054 8.576 1.00 36.16 H new ATOM 0 HD23 LEU E 953 7.232 27.939 8.567 1.00 36.16 H new ATOM 2586 N LEU E 954 4.832 29.112 12.989 1.00 40.95 N ATOM 2587 CA LEU E 954 4.832 29.296 14.435 1.00 30.14 C ATOM 2588 C LEU E 954 5.348 28.064 15.165 1.00 34.72 C ATOM 2589 O LEU E 954 5.089 26.931 14.760 1.00 41.16 O ATOM 2590 CB LEU E 954 3.426 29.636 14.931 1.00 31.59 C ATOM 2591 CG LEU E 954 2.980 31.092 14.795 1.00 34.12 C ATOM 2592 CD1 LEU E 954 1.495 31.227 15.085 1.00 37.48 C ATOM 2593 CD2 LEU E 954 3.784 31.976 15.731 1.00 33.91 C ATOM 0 H LEU E 954 4.049 29.116 12.633 1.00 40.95 H new ATOM 0 HA LEU E 954 5.432 30.033 14.629 1.00 30.14 H new ATOM 0 HB2 LEU E 954 2.793 29.080 14.450 1.00 31.59 H new ATOM 0 HB3 LEU E 954 3.367 29.388 15.867 1.00 31.59 H new ATOM 0 HG LEU E 954 3.139 31.378 13.882 1.00 34.12 H new ATOM 0 HD11 LEU E 954 1.230 32.156 14.994 1.00 37.48 H new ATOM 0 HD12 LEU E 954 0.992 30.685 14.457 1.00 37.48 H new ATOM 0 HD13 LEU E 954 1.313 30.927 15.989 1.00 37.48 H new ATOM 0 HD21 LEU E 954 3.493 32.897 15.637 1.00 33.91 H new ATOM 0 HD22 LEU E 954 3.648 31.687 16.647 1.00 33.91 H new ATOM 0 HD23 LEU E 954 4.726 31.911 15.509 1.00 33.91 H new ATOM 2594 N LYS E 955 6.086 28.299 16.242 1.00 41.44 N ATOM 2595 CA LYS E 955 6.551 27.222 17.101 1.00 41.45 C ATOM 2596 C LYS E 955 5.984 27.416 18.500 1.00 40.68 C ATOM 2597 O LYS E 955 5.419 28.467 18.806 1.00 46.18 O ATOM 2598 CB LYS E 955 8.079 27.171 17.129 1.00 37.50 C ATOM 2599 CG LYS E 955 8.698 26.897 15.767 1.00 52.15 C ATOM 2600 CD LYS E 955 10.218 26.975 15.806 1.00 56.87 C ATOM 2601 CE LYS E 955 10.815 26.725 14.425 1.00 54.71 C ATOM 2602 NZ LYS E 955 12.302 26.827 14.430 1.00 68.09 N1+ ATOM 0 H LYS E 955 6.330 29.084 16.494 1.00 41.44 H new ATOM 0 HA LYS E 955 6.239 26.374 16.749 1.00 41.45 H new ATOM 0 HB2 LYS E 955 8.418 28.014 17.467 1.00 37.50 H new ATOM 0 HB3 LYS E 955 8.362 26.482 17.750 1.00 37.50 H new ATOM 0 HG2 LYS E 955 8.428 26.017 15.461 1.00 52.15 H new ATOM 0 HG3 LYS E 955 8.358 27.538 15.123 1.00 52.15 H new ATOM 0 HD2 LYS E 955 10.492 27.848 16.127 1.00 56.87 H new ATOM 0 HD3 LYS E 955 10.563 26.321 16.434 1.00 56.87 H new ATOM 0 HE2 LYS E 955 10.554 25.844 14.116 1.00 54.71 H new ATOM 0 HE3 LYS E 955 10.450 27.366 13.795 1.00 54.71 H new ATOM 0 HZ1 LYS E 955 12.613 26.676 13.610 1.00 68.09 H new ATOM 0 HZ2 LYS E 955 12.543 27.643 14.692 1.00 68.09 H new ATOM 0 HZ3 LYS E 955 12.639 26.224 14.991 1.00 68.09 H new ATOM 2603 N GLU E 956 6.133 26.400 19.343 1.00 43.26 N ATOM 2604 CA GLU E 956 5.538 26.407 20.674 1.00 41.52 C ATOM 2605 C GLU E 956 6.036 27.578 21.519 1.00 55.15 C ATOM 2606 O GLU E 956 5.279 28.156 22.299 1.00 66.88 O ATOM 2607 CB GLU E 956 5.825 25.079 21.381 1.00 45.55 C ATOM 2608 CG GLU E 956 5.045 24.869 22.668 1.00 50.35 C ATOM 2609 CD GLU E 956 4.934 23.403 23.045 1.00 63.38 C ATOM 2610 OE1 GLU E 956 5.027 22.547 22.140 1.00 61.27 O ATOM 2611 OE2 GLU E 956 4.754 23.105 24.245 1.00 69.67 O1+ ATOM 0 H GLU E 956 6.581 25.689 19.160 1.00 43.26 H new ATOM 0 HA GLU E 956 4.580 26.516 20.568 1.00 41.52 H new ATOM 0 HB2 GLU E 956 5.624 24.351 20.772 1.00 45.55 H new ATOM 0 HB3 GLU E 956 6.773 25.029 21.579 1.00 45.55 H new ATOM 0 HG2 GLU E 956 5.478 25.354 23.388 1.00 50.35 H new ATOM 0 HG3 GLU E 956 4.156 25.243 22.569 1.00 50.35 H new ATOM 2612 N ASP E 957 7.306 27.931 21.346 1.00 52.35 N ATOM 2613 CA ASP E 957 7.906 29.038 22.083 1.00 40.56 C ATOM 2614 C ASP E 957 7.411 30.389 21.573 1.00 49.99 C ATOM 2615 O ASP E 957 7.312 31.352 22.335 1.00 58.31 O ATOM 2616 CB ASP E 957 9.433 28.967 21.992 1.00 76.01 C ATOM 2617 CG ASP E 957 10.120 30.091 22.748 1.00 86.57 C ATOM 2618 OD1 ASP E 957 9.868 31.272 22.430 1.00 74.72 O1+ ATOM 2619 OD2 ASP E 957 10.912 29.791 23.668 1.00 80.77 O ATOM 0 H ASP E 957 7.842 27.538 20.801 1.00 52.35 H new ATOM 0 HA ASP E 957 7.636 28.956 23.011 1.00 40.56 H new ATOM 0 HB2 ASP E 957 9.735 28.115 22.343 1.00 76.01 H new ATOM 0 HB3 ASP E 957 9.699 29.000 21.060 1.00 76.01 H new ATOM 2620 N HIS E 958 7.101 30.453 20.282 1.00 60.76 N ATOM 2621 CA HIS E 958 6.656 31.692 19.651 1.00 49.43 C ATOM 2622 C HIS E 958 5.355 32.219 20.246 1.00 60.93 C ATOM 2623 O HIS E 958 5.144 33.428 20.324 1.00 60.31 O ATOM 2624 CB HIS E 958 6.480 31.487 18.146 1.00 47.83 C ATOM 2625 CG HIS E 958 7.765 31.472 17.382 1.00 33.07 C ATOM 2626 ND1 HIS E 958 7.934 30.750 16.222 1.00 42.86 N ATOM 2627 CD2 HIS E 958 8.945 32.101 17.607 1.00 55.53 C ATOM 2628 CE1 HIS E 958 9.161 30.928 15.767 1.00 49.98 C ATOM 2629 NE2 HIS E 958 9.795 31.745 16.592 1.00 73.21 N ATOM 0 H HIS E 958 7.142 29.781 19.747 1.00 60.76 H new ATOM 0 HA HIS E 958 7.345 32.354 19.819 1.00 49.43 H new ATOM 0 HB2 HIS E 958 6.014 30.650 17.995 1.00 47.83 H new ATOM 0 HB3 HIS E 958 5.914 32.193 17.796 1.00 47.83 H new ATOM 0 HD2 HIS E 958 9.141 32.668 18.317 1.00 55.53 H new ATOM 0 HE1 HIS E 958 9.518 30.545 14.999 1.00 49.98 H new ATOM 0 HE2 HIS E 958 10.609 32.010 16.506 1.00 73.21 H new ATOM 2630 N LEU E 959 4.484 31.308 20.663 1.00 55.74 N ATOM 2631 CA LEU E 959 3.171 31.688 21.167 1.00 71.35 C ATOM 2632 C LEU E 959 3.257 32.508 22.455 1.00 72.60 C ATOM 2633 O LEU E 959 2.691 33.596 22.544 1.00 81.03 O ATOM 2634 CB LEU E 959 2.315 30.439 21.388 1.00 63.37 C ATOM 2635 CG LEU E 959 1.838 29.769 20.097 1.00 47.17 C ATOM 2636 CD1 LEU E 959 1.331 28.366 20.365 1.00 44.81 C ATOM 2637 CD2 LEU E 959 0.757 30.609 19.433 1.00 44.49 C ATOM 0 H LEU E 959 4.635 30.461 20.662 1.00 55.74 H new ATOM 0 HA LEU E 959 2.755 32.253 20.497 1.00 71.35 H new ATOM 0 HB2 LEU E 959 2.826 29.796 21.904 1.00 63.37 H new ATOM 0 HB3 LEU E 959 1.541 30.680 21.921 1.00 63.37 H new ATOM 0 HG LEU E 959 2.595 29.703 19.494 1.00 47.17 H new ATOM 0 HD11 LEU E 959 1.035 27.964 19.533 1.00 44.81 H new ATOM 0 HD12 LEU E 959 2.045 27.831 20.746 1.00 44.81 H new ATOM 0 HD13 LEU E 959 0.588 28.404 20.987 1.00 44.81 H new ATOM 0 HD21 LEU E 959 0.464 30.174 18.617 1.00 44.49 H new ATOM 0 HD22 LEU E 959 0.004 30.704 20.037 1.00 44.49 H new ATOM 0 HD23 LEU E 959 1.113 31.486 19.221 1.00 44.49 H new ATOM 2638 N MET E 960 3.980 31.991 23.441 1.00 54.86 N ATOM 2639 CA MET E 960 4.072 32.640 24.745 1.00 65.74 C ATOM 2640 C MET E 960 4.844 33.957 24.702 1.00 75.02 C ATOM 2641 O MET E 960 4.315 35.014 25.053 1.00 54.67 O ATOM 2642 CB MET E 960 4.733 31.700 25.755 1.00 73.28 C ATOM 2643 CG MET E 960 4.596 32.148 27.200 1.00 80.58 C ATOM 2644 SD MET E 960 2.921 31.913 27.818 1.00 86.52 S ATOM 2645 CE MET E 960 3.095 32.436 29.520 1.00 46.82 C ATOM 0 H MET E 960 4.428 31.260 23.376 1.00 54.86 H new ATOM 0 HA MET E 960 3.164 32.844 25.017 1.00 65.74 H new ATOM 0 HB2 MET E 960 4.344 30.816 25.662 1.00 73.28 H new ATOM 0 HB3 MET E 960 5.675 31.620 25.539 1.00 73.28 H new ATOM 0 HG2 MET E 960 5.218 31.650 27.753 1.00 80.58 H new ATOM 0 HG3 MET E 960 4.839 33.084 27.273 1.00 80.58 H new ATOM 0 HE1 MET E 960 2.241 32.355 29.973 1.00 46.82 H new ATOM 0 HE2 MET E 960 3.751 31.877 29.965 1.00 46.82 H new ATOM 0 HE3 MET E 960 3.388 33.360 29.546 1.00 46.82 H new ATOM 2646 N SER E 961 6.098 33.879 24.268 1.00 92.25 N ATOM 2647 CA SER E 961 7.035 34.994 24.380 1.00 80.64 C ATOM 2648 C SER E 961 6.839 36.091 23.332 1.00 71.26 C ATOM 2649 O SER E 961 6.782 37.274 23.668 1.00 84.07 O ATOM 2650 CB SER E 961 8.467 34.466 24.293 1.00 59.43 C ATOM 2651 OG SER E 961 8.677 33.790 23.062 1.00 53.23 O ATOM 0 H SER E 961 6.431 33.177 23.899 1.00 92.25 H new ATOM 0 HA SER E 961 6.859 35.406 25.241 1.00 80.64 H new ATOM 0 HB2 SER E 961 9.094 35.202 24.375 1.00 59.43 H new ATOM 0 HB3 SER E 961 8.640 33.863 25.033 1.00 59.43 H new ATOM 0 HG SER E 961 9.035 33.044 23.209 1.00 53.23 H new ATOM 2652 N ALA E 962 6.741 35.699 22.066 1.00 74.88 N ATOM 2653 CA ALA E 962 6.704 36.665 20.970 1.00 89.51 C ATOM 2654 C ALA E 962 5.434 37.517 20.973 1.00 86.65 C ATOM 2655 O ALA E 962 5.502 38.737 20.828 1.00 94.04 O ATOM 2656 CB ALA E 962 6.853 35.950 19.633 1.00 74.60 C ATOM 0 H ALA E 962 6.695 34.877 21.819 1.00 74.88 H new ATOM 0 HA ALA E 962 7.451 37.270 21.103 1.00 89.51 H new ATOM 0 HB1 ALA E 962 6.827 36.600 18.914 1.00 74.60 H new ATOM 0 HB2 ALA E 962 7.700 35.478 19.611 1.00 74.60 H new ATOM 0 HB3 ALA E 962 6.127 35.316 19.522 1.00 74.60 H new ATOM 2657 N MET E 963 4.279 36.882 21.145 1.00 77.53 N ATOM 2658 CA MET E 963 3.010 37.589 21.010 1.00 85.54 C ATOM 2659 C MET E 963 2.374 37.973 22.345 1.00 89.31 C ATOM 2660 O MET E 963 1.276 38.530 22.369 1.00 96.04 O ATOM 2661 CB MET E 963 2.026 36.740 20.207 1.00 70.97 C ATOM 2662 CG MET E 963 2.638 35.501 19.584 1.00 65.09 C ATOM 2663 SD MET E 963 1.830 35.112 18.028 1.00 70.08 S ATOM 2664 CE MET E 963 1.784 36.753 17.309 1.00 59.10 C ATOM 0 H MET E 963 4.208 36.047 21.339 1.00 77.53 H new ATOM 0 HA MET E 963 3.210 38.418 20.547 1.00 85.54 H new ATOM 0 HB2 MET E 963 1.297 36.471 20.788 1.00 70.97 H new ATOM 0 HB3 MET E 963 1.641 37.287 19.504 1.00 70.97 H new ATOM 0 HG2 MET E 963 3.586 35.642 19.436 1.00 65.09 H new ATOM 0 HG3 MET E 963 2.555 34.751 20.194 1.00 65.09 H new ATOM 0 HE1 MET E 963 0.866 37.066 17.274 1.00 59.10 H new ATOM 0 HE2 MET E 963 2.311 37.359 17.852 1.00 59.10 H new ATOM 0 HE3 MET E 963 2.149 36.723 16.411 1.00 59.10 H new ATOM 2665 N ASN E 964 3.065 37.675 23.443 1.00 72.27 N ATOM 2666 CA ASN E 964 2.540 37.918 24.785 1.00 77.78 C ATOM 2667 C ASN E 964 1.187 37.235 24.991 1.00 79.76 C ATOM 2668 O ASN E 964 0.262 37.817 25.557 1.00 81.31 O ATOM 2669 CB ASN E 964 2.416 39.421 25.057 1.00 86.35 C ATOM 2670 CG ASN E 964 3.644 40.199 24.623 1.00 88.52 C ATOM 2671 OD1 ASN E 964 4.725 39.636 24.458 1.00 94.80 O ATOM 2672 ND2 ASN E 964 3.480 41.504 24.435 1.00 83.79 N ATOM 0 H ASN E 964 3.851 37.326 23.431 1.00 72.27 H new ATOM 0 HA ASN E 964 3.170 37.535 25.415 1.00 77.78 H new ATOM 0 HB2 ASN E 964 1.638 39.767 24.592 1.00 86.35 H new ATOM 0 HB3 ASN E 964 2.266 39.563 26.005 1.00 86.35 H new ATOM 0 HD21 ASN E 964 4.145 41.990 24.188 1.00 83.79 H new ATOM 0 HD22 ASN E 964 2.709 41.863 24.560 1.00 83.79 H new ATOM 2673 N ILE E 965 1.080 35.999 24.513 1.00 69.12 N ATOM 2674 CA ILE E 965 -0.149 35.223 24.638 1.00 55.08 C ATOM 2675 C ILE E 965 -0.166 34.451 25.949 1.00 52.06 C ATOM 2676 O ILE E 965 0.842 33.863 26.340 1.00 61.66 O ATOM 2677 CB ILE E 965 -0.315 34.233 23.465 1.00 58.12 C ATOM 2678 CG1 ILE E 965 -0.398 34.985 22.138 1.00 67.16 C ATOM 2679 CG2 ILE E 965 -1.549 33.365 23.653 1.00 75.06 C ATOM 2680 CD1 ILE E 965 -0.557 34.080 20.934 1.00 68.05 C ATOM 0 H ILE E 965 1.717 35.587 24.108 1.00 69.12 H new ATOM 0 HA ILE E 965 -0.887 35.852 24.621 1.00 55.08 H new ATOM 0 HB ILE E 965 0.464 33.655 23.450 1.00 58.12 H new ATOM 0 HG12 ILE E 965 -1.147 35.601 22.171 1.00 67.16 H new ATOM 0 HG13 ILE E 965 0.404 35.519 22.027 1.00 67.16 H new ATOM 0 HG21 ILE E 965 -1.631 32.753 22.905 1.00 75.06 H new ATOM 0 HG22 ILE E 965 -1.467 32.859 24.477 1.00 75.06 H new ATOM 0 HG23 ILE E 965 -2.337 33.928 23.697 1.00 75.06 H new ATOM 0 HD11 ILE E 965 -0.603 34.618 20.128 1.00 68.05 H new ATOM 0 HD12 ILE E 965 0.202 33.479 20.878 1.00 68.05 H new ATOM 0 HD13 ILE E 965 -1.372 33.562 21.024 1.00 68.05 H new ATOM 2681 N LYS E 966 -1.308 34.462 26.629 1.00 48.01 N ATOM 2682 CA LYS E 966 -1.473 33.686 27.852 1.00 36.32 C ATOM 2683 C LYS E 966 -1.312 32.195 27.577 1.00 36.22 C ATOM 2684 O LYS E 966 -1.651 31.713 26.497 1.00 31.66 O ATOM 2685 CB LYS E 966 -2.832 33.972 28.491 1.00 31.51 C ATOM 2686 CG LYS E 966 -2.820 35.185 29.403 1.00 42.54 C ATOM 2687 CD LYS E 966 -4.189 35.459 29.995 1.00 41.21 C ATOM 2688 CE LYS E 966 -5.024 36.320 29.068 1.00 52.56 C ATOM 2689 NZ LYS E 966 -4.430 37.675 28.906 1.00 70.53 N ATOM 0 H LYS E 966 -2.002 34.914 26.397 1.00 48.01 H new ATOM 0 HA LYS E 966 -0.779 33.954 28.475 1.00 36.32 H new ATOM 0 HB2 LYS E 966 -3.490 34.107 27.791 1.00 31.51 H new ATOM 0 HB3 LYS E 966 -3.114 33.195 28.999 1.00 31.51 H new ATOM 0 HG2 LYS E 966 -2.180 35.045 30.119 1.00 42.54 H new ATOM 0 HG3 LYS E 966 -2.522 35.962 28.904 1.00 42.54 H new ATOM 0 HD2 LYS E 966 -4.646 34.620 30.161 1.00 41.21 H new ATOM 0 HD3 LYS E 966 -4.091 35.903 30.852 1.00 41.21 H new ATOM 0 HE2 LYS E 966 -5.096 35.890 28.201 1.00 52.56 H new ATOM 0 HE3 LYS E 966 -5.924 36.399 29.420 1.00 52.56 H new ATOM 0 HZ1 LYS E 966 -5.032 38.292 29.129 1.00 70.53 H new ATOM 0 HZ2 LYS E 966 -3.717 37.752 29.433 1.00 70.53 H new ATOM 0 HZ3 LYS E 966 -4.186 37.793 28.058 1.00 70.53 H new ATOM 2690 N ARG E 967 -0.788 31.475 28.562 1.00 31.15 N ATOM 2691 CA ARG E 967 -0.409 30.078 28.376 1.00 37.32 C ATOM 2692 C ARG E 967 -1.588 29.181 28.023 1.00 31.45 C ATOM 2693 O ARG E 967 -1.462 28.301 27.174 1.00 42.10 O ATOM 2694 CB ARG E 967 0.277 29.544 29.633 1.00 38.03 C ATOM 2695 CG ARG E 967 0.792 28.114 29.509 1.00 73.92 C ATOM 2696 CD ARG E 967 2.073 28.036 28.675 1.00 91.64 C ATOM 2697 NE ARG E 967 1.819 27.909 27.239 1.00108.66 N ATOM 2698 CZ ARG E 967 2.765 27.710 26.323 1.00 64.27 C ATOM 2699 NH1 ARG E 967 4.038 27.613 26.684 1.00 79.08 N ATOM 2700 NH2 ARG E 967 2.441 27.604 25.041 1.00 62.86 N ATOM 0 H ARG E 967 -0.642 31.779 29.353 1.00 31.15 H new ATOM 0 HA ARG E 967 0.204 30.058 27.624 1.00 37.32 H new ATOM 0 HB2 ARG E 967 1.021 30.126 29.855 1.00 38.03 H new ATOM 0 HB3 ARG E 967 -0.348 29.588 30.373 1.00 38.03 H new ATOM 0 HG2 ARG E 967 0.961 27.754 30.394 1.00 73.92 H new ATOM 0 HG3 ARG E 967 0.108 27.559 29.103 1.00 73.92 H new ATOM 0 HD2 ARG E 967 2.605 28.831 28.834 1.00 91.64 H new ATOM 0 HD3 ARG E 967 2.600 27.278 28.973 1.00 91.64 H new ATOM 0 HE ARG E 967 1.005 27.967 26.969 1.00108.66 H new ATOM 0 HH11 ARG E 967 4.256 27.679 27.513 1.00 79.08 H new ATOM 0 HH12 ARG E 967 4.645 27.484 26.089 1.00 79.08 H new ATOM 0 HH21 ARG E 967 1.618 27.664 24.799 1.00 62.86 H new ATOM 0 HH22 ARG E 967 3.054 27.476 24.452 1.00 62.86 H new ATOM 2701 N GLY E 968 -2.722 29.399 28.685 1.00 33.12 N ATOM 2702 CA GLY E 968 -3.928 28.621 28.448 1.00 26.04 C ATOM 2703 C GLY E 968 -4.318 28.499 26.986 1.00 35.58 C ATOM 2704 O GLY E 968 -4.311 27.397 26.435 1.00 36.85 O ATOM 0 H GLY E 968 -2.811 30.007 29.287 1.00 33.12 H new ATOM 0 HA2 GLY E 968 -3.803 27.731 28.813 1.00 26.04 H new ATOM 0 HA3 GLY E 968 -4.662 29.027 28.935 1.00 26.04 H new ATOM 2705 N PRO E 969 -4.670 29.631 26.353 1.00 32.57 N ATOM 2706 CA PRO E 969 -4.922 29.664 24.909 1.00 28.20 C ATOM 2707 C PRO E 969 -3.736 29.163 24.090 1.00 35.65 C ATOM 2708 O PRO E 969 -3.940 28.418 23.134 1.00 43.17 O ATOM 2709 CB PRO E 969 -5.176 31.148 24.635 1.00 34.31 C ATOM 2710 CG PRO E 969 -5.695 31.681 25.927 1.00 28.05 C ATOM 2711 CD PRO E 969 -4.943 30.933 26.988 1.00 37.35 C ATOM 0 HA PRO E 969 -5.657 29.083 24.657 1.00 28.20 H new ATOM 0 HB2 PRO E 969 -4.362 31.602 24.367 1.00 34.31 H new ATOM 0 HB3 PRO E 969 -5.818 31.270 23.919 1.00 34.31 H new ATOM 0 HG2 PRO E 969 -5.545 32.637 25.998 1.00 28.05 H new ATOM 0 HG3 PRO E 969 -6.651 31.537 26.007 1.00 28.05 H new ATOM 0 HD2 PRO E 969 -4.124 31.390 27.236 1.00 37.35 H new ATOM 0 HD3 PRO E 969 -5.469 30.834 27.797 1.00 37.35 H new ATOM 2712 N ALA E 970 -2.525 29.568 24.464 1.00 35.32 N ATOM 2713 CA ALA E 970 -1.321 29.214 23.719 1.00 35.74 C ATOM 2714 C ALA E 970 -1.140 27.701 23.606 1.00 37.91 C ATOM 2715 O ALA E 970 -0.685 27.200 22.579 1.00 32.72 O ATOM 2716 CB ALA E 970 -0.102 29.848 24.366 1.00 37.54 C ATOM 0 H ALA E 970 -2.379 30.056 25.157 1.00 35.32 H new ATOM 0 HA ALA E 970 -1.421 29.559 22.818 1.00 35.74 H new ATOM 0 HB1 ALA E 970 0.693 29.607 23.865 1.00 37.54 H new ATOM 0 HB2 ALA E 970 -0.202 30.813 24.369 1.00 37.54 H new ATOM 0 HB3 ALA E 970 -0.017 29.529 25.278 1.00 37.54 H new ATOM 2717 N LEU E 971 -1.510 26.980 24.660 1.00 45.57 N ATOM 2718 CA LEU E 971 -1.433 25.522 24.657 1.00 42.25 C ATOM 2719 C LEU E 971 -2.430 24.919 23.676 1.00 35.85 C ATOM 2720 O LEU E 971 -2.098 24.008 22.916 1.00 37.79 O ATOM 2721 CB LEU E 971 -1.685 24.970 26.061 1.00 32.16 C ATOM 2722 CG LEU E 971 -0.569 25.153 27.090 1.00 44.07 C ATOM 2723 CD1 LEU E 971 -1.065 24.752 28.467 1.00 41.04 C ATOM 2724 CD2 LEU E 971 0.651 24.334 26.696 1.00 52.13 C ATOM 0 H LEU E 971 -1.810 27.318 25.391 1.00 45.57 H new ATOM 0 HA LEU E 971 -0.539 25.274 24.374 1.00 42.25 H new ATOM 0 HB2 LEU E 971 -2.488 25.388 26.410 1.00 32.16 H new ATOM 0 HB3 LEU E 971 -1.870 24.021 25.983 1.00 32.16 H new ATOM 0 HG LEU E 971 -0.311 26.088 27.115 1.00 44.07 H new ATOM 0 HD11 LEU E 971 -0.353 24.870 29.115 1.00 41.04 H new ATOM 0 HD12 LEU E 971 -1.821 25.307 28.713 1.00 41.04 H new ATOM 0 HD13 LEU E 971 -1.339 23.821 28.454 1.00 41.04 H new ATOM 0 HD21 LEU E 971 1.351 24.458 27.356 1.00 52.13 H new ATOM 0 HD22 LEU E 971 0.411 23.395 26.653 1.00 52.13 H new ATOM 0 HD23 LEU E 971 0.970 24.626 25.828 1.00 52.13 H new ATOM 2725 N LYS E 972 -3.652 25.438 23.695 1.00 39.25 N ATOM 2726 CA LYS E 972 -4.717 24.924 22.844 1.00 30.13 C ATOM 2727 C LYS E 972 -4.513 25.340 21.394 1.00 30.05 C ATOM 2728 O LYS E 972 -4.836 24.589 20.477 1.00 38.77 O ATOM 2729 CB LYS E 972 -6.080 25.399 23.355 1.00 31.68 C ATOM 2730 CG LYS E 972 -6.499 24.745 24.667 1.00 30.96 C ATOM 2731 CD LYS E 972 -7.739 25.397 25.259 1.00 31.09 C ATOM 2732 CE LYS E 972 -7.448 26.802 25.760 1.00 37.23 C ATOM 2733 NZ LYS E 972 -8.633 27.396 26.438 1.00 31.89 N1+ ATOM 0 H LYS E 972 -3.886 26.094 24.199 1.00 39.25 H new ATOM 0 HA LYS E 972 -4.691 23.955 22.880 1.00 30.13 H new ATOM 0 HB2 LYS E 972 -6.055 26.361 23.475 1.00 31.68 H new ATOM 0 HB3 LYS E 972 -6.752 25.215 22.681 1.00 31.68 H new ATOM 0 HG2 LYS E 972 -6.671 23.802 24.517 1.00 30.96 H new ATOM 0 HG3 LYS E 972 -5.769 24.803 25.303 1.00 30.96 H new ATOM 0 HD2 LYS E 972 -8.439 25.430 24.588 1.00 31.09 H new ATOM 0 HD3 LYS E 972 -8.073 24.855 25.991 1.00 31.09 H new ATOM 0 HE2 LYS E 972 -6.699 26.778 26.376 1.00 37.23 H new ATOM 0 HE3 LYS E 972 -7.184 27.364 25.015 1.00 37.23 H new ATOM 0 HZ1 LYS E 972 -8.369 28.057 26.973 1.00 31.89 H new ATOM 0 HZ2 LYS E 972 -9.195 27.716 25.827 1.00 31.89 H new ATOM 0 HZ3 LYS E 972 -9.044 26.771 26.920 1.00 31.89 H new ATOM 2734 N ILE E 973 -3.973 26.537 21.193 1.00 29.33 N ATOM 2735 CA ILE E 973 -3.644 27.010 19.853 1.00 30.18 C ATOM 2736 C ILE E 973 -2.544 26.143 19.242 1.00 37.86 C ATOM 2737 O ILE E 973 -2.597 25.794 18.063 1.00 40.03 O ATOM 2738 CB ILE E 973 -3.197 28.488 19.868 1.00 32.10 C ATOM 2739 CG1 ILE E 973 -4.377 29.394 20.216 1.00 29.30 C ATOM 2740 CG2 ILE E 973 -2.618 28.895 18.522 1.00 31.55 C ATOM 2741 CD1 ILE E 973 -3.992 30.832 20.444 1.00 35.84 C ATOM 0 H ILE E 973 -3.788 27.093 21.822 1.00 29.33 H new ATOM 0 HA ILE E 973 -4.446 26.943 19.312 1.00 30.18 H new ATOM 0 HB ILE E 973 -2.508 28.586 20.543 1.00 32.10 H new ATOM 0 HG12 ILE E 973 -5.029 29.352 19.499 1.00 29.30 H new ATOM 0 HG13 ILE E 973 -4.811 29.054 21.014 1.00 29.30 H new ATOM 0 HG21 ILE E 973 -2.345 29.825 18.555 1.00 31.55 H new ATOM 0 HG22 ILE E 973 -1.849 28.340 18.319 1.00 31.55 H new ATOM 0 HG23 ILE E 973 -3.290 28.780 17.832 1.00 31.55 H new ATOM 0 HD11 ILE E 973 -4.784 31.349 20.660 1.00 35.84 H new ATOM 0 HD12 ILE E 973 -3.361 30.886 21.179 1.00 35.84 H new ATOM 0 HD13 ILE E 973 -3.582 31.189 19.640 1.00 35.84 H new HETATM 2742 N CME E 974 -1.561 25.782 20.060 1.00 33.88 N HETATM 2743 CA CME E 974 -0.441 24.984 19.611 1.00 35.65 C HETATM 2744 CB CME E 974 0.685 24.821 20.637 1.00 44.41 C HETATM 2745 SG CME E 974 2.147 24.076 20.003 1.00 52.54 S HETATM 2746 SD CME E 974 2.788 25.302 18.413 1.00 56.70 S HETATM 2747 CE CME E 974 3.661 24.267 17.285 1.00 54.34 C HETATM 2748 CZ CME E 974 3.220 24.448 15.849 1.00 48.99 C HETATM 2749 OH CME E 974 2.964 23.134 15.373 1.00 57.49 O HETATM 2750 C CME E 974 -0.893 23.582 19.224 1.00 35.56 C HETATM 2751 O CME E 974 -0.454 22.967 18.251 1.00 47.36 O HETATM 0 HZ3 CME E 974 2.426 25.002 15.793 1.00 48.99 H new HETATM 0 HZ2 CME E 974 3.908 24.884 15.323 1.00 48.99 H new HETATM 0 HH CME E 974 2.447 22.739 15.904 1.00 57.49 H new HETATM 0 HE3 CME E 974 4.611 24.454 17.352 1.00 54.34 H new HETATM 0 HE2 CME E 974 3.535 23.340 17.542 1.00 54.34 H new HETATM 0 HB3 CME E 974 0.910 25.694 20.995 1.00 44.41 H new HETATM 0 HB2 CME E 974 0.358 24.286 21.377 1.00 44.41 H new HETATM 0 HA CME E 974 -0.091 25.479 18.854 1.00 35.65 H new HETATM 0 H CME E 974 -1.558 26.122 20.850 1.00 33.88 H new ATOM 2752 N ALA E 975 -1.809 23.055 20.031 1.00 37.63 N ATOM 2753 CA ALA E 975 -2.309 21.696 19.846 1.00 42.57 C ATOM 2754 C ALA E 975 -3.173 21.567 18.592 1.00 48.66 C ATOM 2755 O ALA E 975 -3.028 20.615 17.824 1.00 41.23 O ATOM 2756 CB ALA E 975 -3.093 21.253 21.069 1.00 33.09 C ATOM 0 H ALA E 975 -2.157 23.472 20.698 1.00 37.63 H new ATOM 0 HA ALA E 975 -1.539 21.118 19.730 1.00 42.57 H new ATOM 0 HB1 ALA E 975 -3.420 20.350 20.934 1.00 33.09 H new ATOM 0 HB2 ALA E 975 -2.516 21.275 21.849 1.00 33.09 H new ATOM 0 HB3 ALA E 975 -3.844 21.851 21.206 1.00 33.09 H new ATOM 2757 N ARG E 976 -4.070 22.527 18.391 1.00 52.47 N ATOM 2758 CA ARG E 976 -4.979 22.495 17.251 1.00 43.24 C ATOM 2759 C ARG E 976 -4.247 22.732 15.933 1.00 42.98 C ATOM 2760 O ARG E 976 -4.733 22.347 14.870 1.00 47.04 O ATOM 2761 CB ARG E 976 -6.093 23.527 17.430 1.00 38.21 C ATOM 2762 CG ARG E 976 -7.141 23.128 18.458 1.00 45.54 C ATOM 2763 CD ARG E 976 -7.917 21.898 18.007 1.00 54.67 C ATOM 2764 NE ARG E 976 -8.675 22.149 16.784 1.00 60.94 N ATOM 2765 CZ ARG E 976 -9.948 22.536 16.760 1.00 54.34 C ATOM 2766 NH1 ARG E 976 -10.612 22.717 17.894 1.00 49.00 N1+ ATOM 2767 NH2 ARG E 976 -10.559 22.742 15.601 1.00 44.29 N ATOM 0 H ARG E 976 -4.168 23.209 18.906 1.00 52.47 H new ATOM 0 HA ARG E 976 -5.369 21.608 17.214 1.00 43.24 H new ATOM 0 HB2 ARG E 976 -5.699 24.373 17.694 1.00 38.21 H new ATOM 0 HB3 ARG E 976 -6.529 23.671 16.576 1.00 38.21 H new ATOM 0 HG2 ARG E 976 -6.711 22.948 19.309 1.00 45.54 H new ATOM 0 HG3 ARG E 976 -7.754 23.866 18.601 1.00 45.54 H new ATOM 0 HD2 ARG E 976 -7.301 21.163 17.860 1.00 54.67 H new ATOM 0 HD3 ARG E 976 -8.524 21.622 18.712 1.00 54.67 H new ATOM 0 HE ARG E 976 -8.273 22.040 16.032 1.00 60.94 H new ATOM 0 HH11 ARG E 976 -10.220 22.584 18.648 1.00 49.00 H new ATOM 0 HH12 ARG E 976 -11.435 22.967 17.875 1.00 49.00 H new ATOM 0 HH21 ARG E 976 -10.132 22.625 14.863 1.00 44.29 H new ATOM 0 HH22 ARG E 976 -11.382 22.992 15.587 1.00 44.29 H new ATOM 2768 N ILE E 977 -3.081 23.365 16.004 1.00 36.22 N ATOM 2769 CA ILE E 977 -2.256 23.558 14.819 1.00 32.01 C ATOM 2770 C ILE E 977 -1.589 22.241 14.434 1.00 39.55 C ATOM 2771 O ILE E 977 -1.547 21.879 13.260 1.00 51.38 O ATOM 2772 CB ILE E 977 -1.189 24.652 15.036 1.00 40.24 C ATOM 2773 CG1 ILE E 977 -1.847 26.032 15.047 1.00 32.69 C ATOM 2774 CG2 ILE E 977 -0.132 24.602 13.945 1.00 30.90 C ATOM 2775 CD1 ILE E 977 -0.883 27.166 15.303 1.00 38.50 C ATOM 0 H ILE E 977 -2.750 23.690 16.728 1.00 36.22 H new ATOM 0 HA ILE E 977 -2.834 23.853 14.098 1.00 32.01 H new ATOM 0 HB ILE E 977 -0.761 24.490 15.891 1.00 40.24 H new ATOM 0 HG12 ILE E 977 -2.286 26.178 14.194 1.00 32.69 H new ATOM 0 HG13 ILE E 977 -2.538 26.046 15.728 1.00 32.69 H new ATOM 0 HG21 ILE E 977 0.527 25.297 14.101 1.00 30.90 H new ATOM 0 HG22 ILE E 977 0.304 23.735 13.956 1.00 30.90 H new ATOM 0 HG23 ILE E 977 -0.551 24.742 13.082 1.00 30.90 H new ATOM 0 HD11 ILE E 977 -1.365 28.008 15.297 1.00 38.50 H new ATOM 0 HD12 ILE E 977 -0.460 27.043 16.167 1.00 38.50 H new ATOM 0 HD13 ILE E 977 -0.204 27.177 14.610 1.00 38.50 H new ATOM 2776 N ASN E 978 -1.086 21.518 15.431 1.00 46.68 N ATOM 2777 CA ASN E 978 -0.484 20.208 15.201 1.00 49.75 C ATOM 2778 C ASN E 978 -1.485 19.207 14.631 1.00 54.13 C ATOM 2779 O ASN E 978 -1.124 18.339 13.838 1.00 56.99 O ATOM 2780 CB ASN E 978 0.114 19.657 16.495 1.00 57.76 C ATOM 2781 CG ASN E 978 1.321 20.445 16.965 1.00 58.99 C ATOM 2782 OD1 ASN E 978 2.095 20.959 16.156 1.00 46.61 O ATOM 2783 ND2 ASN E 978 1.489 20.543 18.280 1.00 52.46 N ATOM 0 H ASN E 978 -1.084 21.770 16.253 1.00 46.68 H new ATOM 0 HA ASN E 978 0.220 20.332 14.545 1.00 49.75 H new ATOM 0 HB2 ASN E 978 -0.563 19.666 17.189 1.00 57.76 H new ATOM 0 HB3 ASN E 978 0.370 18.731 16.360 1.00 57.76 H new ATOM 0 HD21 ASN E 978 2.159 20.979 18.597 1.00 52.46 H new ATOM 0 HD22 ASN E 978 0.927 20.171 18.814 1.00 52.46 H new ATOM 2784 N SER E 979 -2.743 19.330 15.046 1.00 53.27 N ATOM 2785 CA SER E 979 -3.810 18.482 14.525 1.00 53.86 C ATOM 2786 C SER E 979 -4.199 18.930 13.121 1.00 52.39 C ATOM 2787 O SER E 979 -4.653 18.132 12.301 1.00 63.52 O ATOM 2788 CB SER E 979 -5.027 18.518 15.450 1.00 56.89 C ATOM 2789 OG SER E 979 -4.683 18.105 16.762 1.00 71.55 O ATOM 0 H SER E 979 -3.000 19.903 15.633 1.00 53.27 H new ATOM 0 HA SER E 979 -3.485 17.569 14.483 1.00 53.86 H new ATOM 0 HB2 SER E 979 -5.391 19.417 15.476 1.00 56.89 H new ATOM 0 HB3 SER E 979 -5.722 17.940 15.098 1.00 56.89 H new ATOM 0 HG SER E 979 -4.234 18.708 17.137 1.00 71.55 H new ATOM 2790 N LEU E 980 -4.018 20.218 12.858 1.00 51.87 N ATOM 2791 CA LEU E 980 -4.305 20.792 11.551 1.00 42.78 C ATOM 2792 C LEU E 980 -3.277 20.334 10.522 1.00 51.79 C ATOM 2793 O LEU E 980 -3.581 20.208 9.336 1.00 68.20 O ATOM 2794 CB LEU E 980 -4.326 22.320 11.640 1.00 48.17 C ATOM 2795 CG LEU E 980 -4.541 23.129 10.362 1.00 44.61 C ATOM 2796 CD1 LEU E 980 -5.942 22.914 9.814 1.00 52.87 C ATOM 2797 CD2 LEU E 980 -4.278 24.605 10.626 1.00 32.45 C ATOM 0 H LEU E 980 -3.725 20.785 13.434 1.00 51.87 H new ATOM 0 HA LEU E 980 -5.179 20.483 11.265 1.00 42.78 H new ATOM 0 HB2 LEU E 980 -5.025 22.568 12.266 1.00 48.17 H new ATOM 0 HB3 LEU E 980 -3.484 22.603 12.029 1.00 48.17 H new ATOM 0 HG LEU E 980 -3.912 22.820 9.691 1.00 44.61 H new ATOM 0 HD11 LEU E 980 -6.057 23.436 9.004 1.00 52.87 H new ATOM 0 HD12 LEU E 980 -6.070 21.974 9.613 1.00 52.87 H new ATOM 0 HD13 LEU E 980 -6.595 23.195 10.474 1.00 52.87 H new ATOM 0 HD21 LEU E 980 -4.417 25.110 9.809 1.00 32.45 H new ATOM 0 HD22 LEU E 980 -4.886 24.925 11.311 1.00 32.45 H new ATOM 0 HD23 LEU E 980 -3.363 24.722 10.926 1.00 32.45 H new ATOM 2798 N LYS E 981 -2.062 20.071 10.993 1.00 59.22 N ATOM 2799 CA LYS E 981 -0.948 19.723 10.116 1.00 57.55 C ATOM 2800 C LYS E 981 -0.943 18.249 9.710 1.00 57.81 C ATOM 2801 O LYS E 981 -0.107 17.825 8.912 1.00 67.88 O ATOM 2802 CB LYS E 981 0.382 20.073 10.791 1.00 43.52 C ATOM 2803 CG LYS E 981 0.630 21.563 10.945 1.00 32.55 C ATOM 2804 CD LYS E 981 1.981 21.837 11.578 1.00 35.88 C ATOM 2805 CE LYS E 981 2.318 23.319 11.536 1.00 32.48 C ATOM 2806 NZ LYS E 981 3.634 23.600 12.176 1.00 37.45 N1+ ATOM 0 H LYS E 981 -1.860 20.089 11.829 1.00 59.22 H new ATOM 0 HA LYS E 981 -1.061 20.243 9.305 1.00 57.55 H new ATOM 0 HB2 LYS E 981 0.407 19.659 11.668 1.00 43.52 H new ATOM 0 HB3 LYS E 981 1.107 19.687 10.275 1.00 43.52 H new ATOM 0 HG2 LYS E 981 0.585 21.992 10.076 1.00 32.55 H new ATOM 0 HG3 LYS E 981 -0.070 21.954 11.491 1.00 32.55 H new ATOM 0 HD2 LYS E 981 1.978 21.529 12.498 1.00 35.88 H new ATOM 0 HD3 LYS E 981 2.667 21.333 11.113 1.00 35.88 H new ATOM 0 HE2 LYS E 981 2.334 23.622 10.615 1.00 32.48 H new ATOM 0 HE3 LYS E 981 1.623 23.823 11.988 1.00 32.48 H new ATOM 0 HZ1 LYS E 981 3.980 24.343 11.829 1.00 37.45 H new ATOM 0 HZ2 LYS E 981 3.521 23.707 13.052 1.00 37.45 H new ATOM 0 HZ3 LYS E 981 4.187 22.919 12.029 1.00 37.45 H new ATOM 2807 N GLU E 982 -1.880 17.473 10.248 1.00 71.78 N ATOM 2808 CA GLU E 982 -1.905 16.031 10.010 1.00 68.80 C ATOM 2809 C GLU E 982 -2.273 15.671 8.570 1.00 84.06 C ATOM 2810 O GLU E 982 -2.129 14.518 8.161 1.00104.61 O ATOM 2811 CB GLU E 982 -2.881 15.348 10.973 1.00 56.78 C ATOM 2812 CG GLU E 982 -2.672 15.686 12.445 1.00 68.39 C ATOM 2813 CD GLU E 982 -1.489 14.969 13.071 1.00 70.73 C ATOM 2814 OE1 GLU E 982 -0.741 14.284 12.342 1.00 66.26 O ATOM 2815 OE2 GLU E 982 -1.313 15.089 14.304 1.00 54.13 O1+ ATOM 0 H GLU E 982 -2.512 17.762 10.755 1.00 71.78 H new ATOM 0 HA GLU E 982 -1.003 15.711 10.167 1.00 68.80 H new ATOM 0 HB2 GLU E 982 -3.786 15.593 10.724 1.00 56.78 H new ATOM 0 HB3 GLU E 982 -2.806 14.387 10.861 1.00 56.78 H new ATOM 0 HG2 GLU E 982 -2.545 16.643 12.534 1.00 68.39 H new ATOM 0 HG3 GLU E 982 -3.476 15.460 12.938 1.00 68.39 H new ATOM 2816 N SER E 983 -2.749 16.654 7.809 1.00 84.70 N ATOM 2817 CA SER E 983 -3.161 16.426 6.426 1.00 67.84 C ATOM 2818 C SER E 983 -2.009 15.910 5.568 1.00 68.55 C ATOM 2819 O SER E 983 -2.188 15.007 4.750 1.00 83.63 O ATOM 2820 CB SER E 983 -3.727 17.709 5.812 1.00 77.45 C ATOM 2821 OG SER E 983 -2.705 18.666 5.588 1.00 65.71 O ATOM 0 H SER E 983 -2.842 17.466 8.077 1.00 84.70 H new ATOM 0 HA SER E 983 -3.852 15.746 6.443 1.00 67.84 H new ATOM 0 HB2 SER E 983 -4.168 17.502 4.974 1.00 77.45 H new ATOM 0 HB3 SER E 983 -4.400 18.083 6.402 1.00 77.45 H new ATOM 0 HG SER E 983 -3.039 19.359 5.250 1.00 65.71 H new TER 2822 SER E 983 ATOM 2823 N ARG F 913 26.282 40.543 -9.128 1.00 93.48 N ATOM 2824 CA ARG F 913 24.954 40.034 -9.445 1.00 73.14 C ATOM 2825 C ARG F 913 24.271 39.505 -8.181 1.00 98.46 C ATOM 2826 O ARG F 913 24.453 40.051 -7.093 1.00 69.17 O ATOM 2827 CB ARG F 913 25.040 38.938 -10.513 1.00 69.65 C ATOM 2828 CG ARG F 913 23.833 38.851 -11.440 1.00 89.12 C ATOM 2829 CD ARG F 913 23.596 40.162 -12.165 1.00110.62 C ATOM 2830 NE ARG F 913 23.018 39.952 -13.490 1.00141.19 N ATOM 2831 CZ ARG F 913 23.734 39.710 -14.584 1.00144.96 C ATOM 2832 NH1 ARG F 913 25.056 39.643 -14.512 1.00146.63 N ATOM 2833 NH2 ARG F 913 23.128 39.532 -15.751 1.00124.59 N ATOM 0 HA ARG F 913 24.420 40.762 -9.800 1.00 73.14 H new ATOM 0 HB2 ARG F 913 25.834 39.089 -11.050 1.00 69.65 H new ATOM 0 HB3 ARG F 913 25.155 38.082 -10.071 1.00 69.65 H new ATOM 0 HG2 ARG F 913 23.971 38.142 -12.087 1.00 89.12 H new ATOM 0 HG3 ARG F 913 23.045 38.617 -10.926 1.00 89.12 H new ATOM 0 HD2 ARG F 913 23.003 40.720 -11.638 1.00110.62 H new ATOM 0 HD3 ARG F 913 24.435 40.641 -12.250 1.00110.62 H new ATOM 0 HE ARG F 913 22.162 39.987 -13.567 1.00141.19 H new ATOM 0 HH11 ARG F 913 25.452 39.756 -13.757 1.00146.63 H new ATOM 0 HH12 ARG F 913 25.518 39.486 -15.220 1.00146.63 H new ATOM 0 HH21 ARG F 913 22.270 39.573 -15.801 1.00124.59 H new ATOM 0 HH22 ARG F 913 23.593 39.376 -16.457 1.00124.59 H new ATOM 2834 N THR F 914 23.498 38.433 -8.329 1.00 97.33 N ATOM 2835 CA THR F 914 22.705 37.892 -7.230 1.00 80.63 C ATOM 2836 C THR F 914 23.407 36.770 -6.469 1.00 82.85 C ATOM 2837 O THR F 914 23.305 35.598 -6.828 1.00 79.84 O ATOM 2838 CB THR F 914 21.347 37.368 -7.733 1.00 89.91 C ATOM 2839 OG1 THR F 914 21.490 36.876 -9.070 1.00 94.07 O ATOM 2840 CG2 THR F 914 20.305 38.477 -7.722 1.00 80.87 C ATOM 0 H THR F 914 23.419 38.000 -9.068 1.00 97.33 H new ATOM 0 HA THR F 914 22.577 38.634 -6.618 1.00 80.63 H new ATOM 0 HB THR F 914 21.055 36.655 -7.143 1.00 89.91 H new ATOM 0 HG1 THR F 914 20.750 36.589 -9.344 1.00 94.07 H new ATOM 0 HG21 THR F 914 19.458 38.129 -8.041 1.00 80.87 H new ATOM 0 HG22 THR F 914 20.197 38.810 -6.818 1.00 80.87 H new ATOM 0 HG23 THR F 914 20.595 39.200 -8.300 1.00 80.87 H new ATOM 2841 N GLU F 915 24.129 37.155 -5.421 1.00 75.95 N ATOM 2842 CA GLU F 915 24.653 36.220 -4.428 1.00 69.57 C ATOM 2843 C GLU F 915 24.397 36.844 -3.063 1.00 72.44 C ATOM 2844 O GLU F 915 24.807 37.978 -2.822 1.00 79.85 O ATOM 2845 CB GLU F 915 26.145 35.944 -4.645 1.00 60.19 C ATOM 2846 CG GLU F 915 26.688 34.719 -3.912 1.00 68.10 C ATOM 2847 CD GLU F 915 27.000 34.985 -2.450 1.00 89.65 C ATOM 2848 OE1 GLU F 915 27.165 36.167 -2.081 1.00 97.78 O ATOM 2849 OE2 GLU F 915 27.082 34.011 -1.669 1.00 77.61 O1+ ATOM 0 H GLU F 915 24.331 37.976 -5.264 1.00 75.95 H new ATOM 0 HA GLU F 915 24.211 35.360 -4.503 1.00 69.57 H new ATOM 0 HB2 GLU F 915 26.305 35.833 -5.595 1.00 60.19 H new ATOM 0 HB3 GLU F 915 26.649 36.723 -4.362 1.00 60.19 H new ATOM 0 HG2 GLU F 915 26.040 34.000 -3.972 1.00 68.10 H new ATOM 0 HG3 GLU F 915 27.493 34.413 -4.358 1.00 68.10 H new ATOM 2850 N PRO F 916 23.715 36.108 -2.170 1.00 67.79 N ATOM 2851 CA PRO F 916 23.225 36.653 -0.898 1.00 53.42 C ATOM 2852 C PRO F 916 24.265 37.455 -0.115 1.00 53.91 C ATOM 2853 O PRO F 916 23.988 38.592 0.259 1.00 48.85 O ATOM 2854 CB PRO F 916 22.808 35.398 -0.115 1.00 59.38 C ATOM 2855 CG PRO F 916 23.434 34.242 -0.842 1.00 65.62 C ATOM 2856 CD PRO F 916 23.461 34.662 -2.271 1.00 65.07 C ATOM 0 HA PRO F 916 22.510 37.291 -1.047 1.00 53.42 H new ATOM 0 HB2 PRO F 916 23.117 35.441 0.803 1.00 59.38 H new ATOM 0 HB3 PRO F 916 21.842 35.310 -0.086 1.00 59.38 H new ATOM 0 HG2 PRO F 916 24.328 34.060 -0.511 1.00 65.62 H new ATOM 0 HG3 PRO F 916 22.917 33.430 -0.723 1.00 65.62 H new ATOM 0 HD2 PRO F 916 24.158 34.206 -2.769 1.00 65.07 H new ATOM 0 HD3 PRO F 916 22.622 34.473 -2.719 1.00 65.07 H new ATOM 2857 N SER F 917 25.446 36.887 0.102 1.00 50.83 N ATOM 2858 CA SER F 917 26.448 37.520 0.956 1.00 59.04 C ATOM 2859 C SER F 917 26.990 38.835 0.394 1.00 62.82 C ATOM 2860 O SER F 917 27.529 39.655 1.136 1.00 56.13 O ATOM 2861 CB SER F 917 27.608 36.557 1.204 1.00 52.45 C ATOM 2862 OG SER F 917 28.290 36.261 -0.002 1.00 78.65 O ATOM 0 H SER F 917 25.688 36.134 -0.236 1.00 50.83 H new ATOM 0 HA SER F 917 25.998 37.735 1.788 1.00 59.04 H new ATOM 0 HB2 SER F 917 28.226 36.948 1.841 1.00 52.45 H new ATOM 0 HB3 SER F 917 27.273 35.737 1.600 1.00 52.45 H new ATOM 0 HG SER F 917 27.815 36.490 -0.656 1.00 78.65 H new ATOM 2863 N ILE F 918 26.845 39.038 -0.910 1.00 55.87 N ATOM 2864 CA ILE F 918 27.396 40.232 -1.546 1.00 62.67 C ATOM 2865 C ILE F 918 26.309 41.223 -1.951 1.00 61.20 C ATOM 2866 O ILE F 918 26.586 42.216 -2.626 1.00 75.56 O ATOM 2867 CB ILE F 918 28.236 39.874 -2.791 1.00 60.78 C ATOM 2868 CG1 ILE F 918 27.336 39.415 -3.938 1.00 63.76 C ATOM 2869 CG2 ILE F 918 29.261 38.807 -2.449 1.00 53.18 C ATOM 2870 CD1 ILE F 918 28.085 39.069 -5.205 1.00 63.67 C ATOM 0 H ILE F 918 26.434 38.502 -1.443 1.00 55.87 H new ATOM 0 HA ILE F 918 27.966 40.649 -0.881 1.00 62.67 H new ATOM 0 HB ILE F 918 28.709 40.670 -3.081 1.00 60.78 H new ATOM 0 HG12 ILE F 918 26.830 38.639 -3.650 1.00 63.76 H new ATOM 0 HG13 ILE F 918 26.694 40.115 -4.134 1.00 63.76 H new ATOM 0 HG21 ILE F 918 29.781 38.592 -3.239 1.00 53.18 H new ATOM 0 HG22 ILE F 918 29.852 39.136 -1.754 1.00 53.18 H new ATOM 0 HG23 ILE F 918 28.806 38.010 -2.135 1.00 53.18 H new ATOM 0 HD11 ILE F 918 27.455 38.787 -5.887 1.00 63.67 H new ATOM 0 HD12 ILE F 918 28.571 39.848 -5.517 1.00 63.67 H new ATOM 0 HD13 ILE F 918 28.710 38.349 -5.025 1.00 63.67 H new ATOM 2871 N TRP F 919 25.075 40.953 -1.537 1.00 55.12 N ATOM 2872 CA TRP F 919 23.950 41.831 -1.848 1.00 47.39 C ATOM 2873 C TRP F 919 24.119 43.222 -1.250 1.00 53.35 C ATOM 2874 O TRP F 919 24.740 43.387 -0.200 1.00 49.21 O ATOM 2875 CB TRP F 919 22.641 41.218 -1.349 1.00 46.85 C ATOM 2876 CG TRP F 919 22.078 40.185 -2.260 1.00 50.91 C ATOM 2877 CD1 TRP F 919 22.531 39.856 -3.503 1.00 55.47 C ATOM 2878 CD2 TRP F 919 20.951 39.341 -2.005 1.00 54.88 C ATOM 2879 NE1 TRP F 919 21.755 38.857 -4.039 1.00 60.37 N ATOM 2880 CE2 TRP F 919 20.778 38.523 -3.138 1.00 59.07 C ATOM 2881 CE3 TRP F 919 20.070 39.197 -0.928 1.00 55.17 C ATOM 2882 CZ2 TRP F 919 19.760 37.574 -3.227 1.00 63.46 C ATOM 2883 CZ3 TRP F 919 19.061 38.255 -1.017 1.00 54.22 C ATOM 2884 CH2 TRP F 919 18.915 37.456 -2.158 1.00 57.31 C ATOM 0 H TRP F 919 24.866 40.261 -1.071 1.00 55.12 H new ATOM 0 HA TRP F 919 23.924 41.923 -2.813 1.00 47.39 H new ATOM 0 HB2 TRP F 919 22.791 40.821 -0.477 1.00 46.85 H new ATOM 0 HB3 TRP F 919 21.987 41.924 -1.231 1.00 46.85 H new ATOM 0 HD1 TRP F 919 23.259 40.250 -3.926 1.00 55.47 H new ATOM 0 HE1 TRP F 919 21.865 38.500 -4.814 1.00 60.37 H new ATOM 0 HE3 TRP F 919 20.161 39.724 -0.167 1.00 55.17 H new ATOM 0 HZ2 TRP F 919 19.660 37.042 -3.983 1.00 63.46 H new ATOM 0 HZ3 TRP F 919 18.469 38.150 -0.307 1.00 54.22 H new ATOM 0 HH2 TRP F 919 18.227 36.831 -2.190 1.00 57.31 H new ATOM 2885 N THR F 920 23.559 44.219 -1.928 1.00 50.41 N ATOM 2886 CA THR F 920 23.585 45.590 -1.437 1.00 51.47 C ATOM 2887 C THR F 920 22.333 45.872 -0.619 1.00 51.66 C ATOM 2888 O THR F 920 21.485 44.996 -0.447 1.00 42.26 O ATOM 2889 CB THR F 920 23.678 46.612 -2.587 1.00 49.92 C ATOM 2890 OG1 THR F 920 22.403 46.733 -3.230 1.00 50.46 O ATOM 2891 CG2 THR F 920 24.720 46.179 -3.604 1.00 68.88 C ATOM 0 H THR F 920 23.156 44.120 -2.681 1.00 50.41 H new ATOM 0 HA THR F 920 24.376 45.684 -0.884 1.00 51.47 H new ATOM 0 HB THR F 920 23.940 47.470 -2.218 1.00 49.92 H new ATOM 0 HG1 THR F 920 22.326 46.135 -3.814 1.00 50.46 H new ATOM 0 HG21 THR F 920 24.765 46.832 -4.319 1.00 68.88 H new ATOM 0 HG22 THR F 920 25.586 46.113 -3.172 1.00 68.88 H new ATOM 0 HG23 THR F 920 24.475 45.315 -3.971 1.00 68.88 H new ATOM 2892 N VAL F 921 22.221 47.098 -0.119 1.00 58.52 N ATOM 2893 CA VAL F 921 21.045 47.512 0.635 1.00 55.99 C ATOM 2894 C VAL F 921 19.809 47.488 -0.262 1.00 64.80 C ATOM 2895 O VAL F 921 18.714 47.133 0.178 1.00 67.41 O ATOM 2896 CB VAL F 921 21.229 48.922 1.237 1.00 41.53 C ATOM 2897 CG1 VAL F 921 20.013 49.317 2.063 1.00 44.86 C ATOM 2898 CG2 VAL F 921 22.493 48.973 2.082 1.00 52.89 C ATOM 0 H VAL F 921 22.820 47.709 -0.207 1.00 58.52 H new ATOM 0 HA VAL F 921 20.925 46.885 1.366 1.00 55.99 H new ATOM 0 HB VAL F 921 21.318 49.558 0.510 1.00 41.53 H new ATOM 0 HG11 VAL F 921 20.147 50.204 2.432 1.00 44.86 H new ATOM 0 HG12 VAL F 921 19.224 49.318 1.498 1.00 44.86 H new ATOM 0 HG13 VAL F 921 19.892 48.681 2.786 1.00 44.86 H new ATOM 0 HG21 VAL F 921 22.598 49.863 2.454 1.00 52.89 H new ATOM 0 HG22 VAL F 921 22.427 48.327 2.803 1.00 52.89 H new ATOM 0 HG23 VAL F 921 23.261 48.762 1.529 1.00 52.89 H new ATOM 2899 N ASP F 922 19.998 47.854 -1.526 1.00 67.30 N ATOM 2900 CA ASP F 922 18.914 47.830 -2.504 1.00 69.04 C ATOM 2901 C ASP F 922 18.502 46.400 -2.835 1.00 59.66 C ATOM 2902 O ASP F 922 17.316 46.104 -2.986 1.00 63.43 O ATOM 2903 CB ASP F 922 19.326 48.564 -3.784 1.00 72.77 C ATOM 2904 CG ASP F 922 19.511 50.052 -3.570 1.00 68.06 C ATOM 2905 OD1 ASP F 922 18.715 50.650 -2.815 1.00 64.95 O ATOM 2906 OD2 ASP F 922 20.454 50.624 -4.157 1.00 59.41 O1+ ATOM 0 H ASP F 922 20.753 48.122 -1.840 1.00 67.30 H new ATOM 0 HA ASP F 922 18.153 48.285 -2.111 1.00 69.04 H new ATOM 0 HB2 ASP F 922 20.153 48.184 -4.119 1.00 72.77 H new ATOM 0 HB3 ASP F 922 18.652 48.420 -4.466 1.00 72.77 H new ATOM 2907 N ASP F 923 19.494 45.521 -2.951 1.00 61.78 N ATOM 2908 CA ASP F 923 19.255 44.112 -3.248 1.00 51.83 C ATOM 2909 C ASP F 923 18.394 43.459 -2.172 1.00 56.48 C ATOM 2910 O ASP F 923 17.516 42.649 -2.471 1.00 65.32 O ATOM 2911 CB ASP F 923 20.583 43.360 -3.385 1.00 46.64 C ATOM 2912 CG ASP F 923 21.416 43.853 -4.554 1.00 54.11 C ATOM 2913 OD1 ASP F 923 21.169 44.981 -5.030 1.00 62.41 O ATOM 2914 OD2 ASP F 923 22.323 43.114 -4.992 1.00 51.48 O1+ ATOM 0 H ASP F 923 20.324 45.725 -2.860 1.00 61.78 H new ATOM 0 HA ASP F 923 18.776 44.064 -4.090 1.00 51.83 H new ATOM 0 HB2 ASP F 923 21.092 43.458 -2.565 1.00 46.64 H new ATOM 0 HB3 ASP F 923 20.404 42.413 -3.496 1.00 46.64 H new ATOM 2915 N VAL F 924 18.651 43.820 -0.919 1.00 59.43 N ATOM 2916 CA VAL F 924 17.878 43.307 0.206 1.00 55.63 C ATOM 2917 C VAL F 924 16.446 43.834 0.173 1.00 51.45 C ATOM 2918 O VAL F 924 15.497 43.076 0.367 1.00 57.58 O ATOM 2919 CB VAL F 924 18.542 43.672 1.551 1.00 53.35 C ATOM 2920 CG1 VAL F 924 17.555 43.540 2.701 1.00 47.52 C ATOM 2921 CG2 VAL F 924 19.765 42.802 1.787 1.00 39.10 C ATOM 0 H VAL F 924 19.276 44.367 -0.698 1.00 59.43 H new ATOM 0 HA VAL F 924 17.855 42.341 0.125 1.00 55.63 H new ATOM 0 HB VAL F 924 18.825 44.599 1.510 1.00 53.35 H new ATOM 0 HG11 VAL F 924 17.995 43.774 3.533 1.00 47.52 H new ATOM 0 HG12 VAL F 924 16.804 44.136 2.553 1.00 47.52 H new ATOM 0 HG13 VAL F 924 17.236 42.625 2.750 1.00 47.52 H new ATOM 0 HG21 VAL F 924 20.173 43.040 2.634 1.00 39.10 H new ATOM 0 HG22 VAL F 924 19.500 41.869 1.807 1.00 39.10 H new ATOM 0 HG23 VAL F 924 20.404 42.940 1.070 1.00 39.10 H new ATOM 2922 N TRP F 925 16.300 45.131 -0.085 1.00 48.97 N ATOM 2923 CA TRP F 925 14.984 45.758 -0.167 1.00 46.87 C ATOM 2924 C TRP F 925 14.093 45.081 -1.196 1.00 46.19 C ATOM 2925 O TRP F 925 12.954 44.721 -0.902 1.00 46.34 O ATOM 2926 CB TRP F 925 15.109 47.242 -0.509 1.00 39.04 C ATOM 2927 CG TRP F 925 13.786 47.867 -0.832 1.00 37.23 C ATOM 2928 CD1 TRP F 925 12.837 48.282 0.055 1.00 45.62 C ATOM 2929 CD2 TRP F 925 13.256 48.130 -2.139 1.00 44.31 C ATOM 2930 NE1 TRP F 925 11.756 48.800 -0.615 1.00 44.65 N ATOM 2931 CE2 TRP F 925 11.987 48.716 -1.959 1.00 33.98 C ATOM 2932 CE3 TRP F 925 13.734 47.931 -3.436 1.00 49.80 C ATOM 2933 CZ2 TRP F 925 11.191 49.105 -3.035 1.00 34.95 C ATOM 2934 CZ3 TRP F 925 12.941 48.319 -4.499 1.00 37.00 C ATOM 2935 CH2 TRP F 925 11.684 48.899 -4.292 1.00 44.73 C ATOM 0 H TRP F 925 16.957 45.670 -0.217 1.00 48.97 H new ATOM 0 HA TRP F 925 14.573 45.658 0.706 1.00 46.87 H new ATOM 0 HB2 TRP F 925 15.511 47.711 0.239 1.00 39.04 H new ATOM 0 HB3 TRP F 925 15.707 47.348 -1.265 1.00 39.04 H new ATOM 0 HD1 TRP F 925 12.911 48.223 0.980 1.00 45.62 H new ATOM 0 HE1 TRP F 925 11.049 49.124 -0.248 1.00 44.65 H new ATOM 0 HE3 TRP F 925 14.568 47.546 -3.581 1.00 49.80 H new ATOM 0 HZ2 TRP F 925 10.355 49.491 -2.902 1.00 34.95 H new ATOM 0 HZ3 TRP F 925 13.248 48.192 -5.368 1.00 37.00 H new ATOM 0 HH2 TRP F 925 11.173 49.150 -5.027 1.00 44.73 H new ATOM 2936 N ALA F 926 14.625 44.908 -2.401 1.00 42.73 N ATOM 2937 CA ALA F 926 13.890 44.268 -3.483 1.00 47.01 C ATOM 2938 C ALA F 926 13.536 42.835 -3.113 1.00 50.22 C ATOM 2939 O ALA F 926 12.503 42.310 -3.528 1.00 46.63 O ATOM 2940 CB ALA F 926 14.701 44.301 -4.769 1.00 55.84 C ATOM 0 H ALA F 926 15.420 45.158 -2.613 1.00 42.73 H new ATOM 0 HA ALA F 926 13.066 44.759 -3.627 1.00 47.01 H new ATOM 0 HB1 ALA F 926 14.199 43.872 -5.479 1.00 55.84 H new ATOM 0 HB2 ALA F 926 14.883 45.222 -5.013 1.00 55.84 H new ATOM 0 HB3 ALA F 926 15.539 43.831 -4.636 1.00 55.84 H new ATOM 2941 N PHE F 927 14.399 42.211 -2.320 1.00 47.14 N ATOM 2942 CA PHE F 927 14.175 40.847 -1.861 1.00 49.57 C ATOM 2943 C PHE F 927 13.045 40.780 -0.836 1.00 55.33 C ATOM 2944 O PHE F 927 12.162 39.930 -0.933 1.00 57.56 O ATOM 2945 CB PHE F 927 15.461 40.269 -1.268 1.00 44.89 C ATOM 2946 CG PHE F 927 15.290 38.908 -0.660 1.00 58.80 C ATOM 2947 CD1 PHE F 927 15.124 37.792 -1.463 1.00 71.03 C ATOM 2948 CD2 PHE F 927 15.302 38.743 0.714 1.00 52.40 C ATOM 2949 CE1 PHE F 927 14.966 36.537 -0.906 1.00 65.59 C ATOM 2950 CE2 PHE F 927 15.146 37.492 1.277 1.00 54.19 C ATOM 2951 CZ PHE F 927 14.978 36.387 0.467 1.00 53.39 C ATOM 0 H PHE F 927 15.129 42.565 -2.034 1.00 47.14 H new ATOM 0 HA PHE F 927 13.912 40.316 -2.629 1.00 49.57 H new ATOM 0 HB2 PHE F 927 16.135 40.221 -1.964 1.00 44.89 H new ATOM 0 HB3 PHE F 927 15.796 40.877 -0.590 1.00 44.89 H new ATOM 0 HD1 PHE F 927 15.119 37.888 -2.388 1.00 71.03 H new ATOM 0 HD2 PHE F 927 15.417 39.484 1.265 1.00 52.40 H new ATOM 0 HE1 PHE F 927 14.852 35.795 -1.455 1.00 65.59 H new ATOM 0 HE2 PHE F 927 15.154 37.394 2.202 1.00 54.19 H new ATOM 0 HZ PHE F 927 14.873 35.544 0.845 1.00 53.39 H new ATOM 2952 N ILE F 928 13.080 41.676 0.146 1.00 48.29 N ATOM 2953 CA ILE F 928 12.053 41.717 1.183 1.00 45.79 C ATOM 2954 C ILE F 928 10.715 42.173 0.607 1.00 44.35 C ATOM 2955 O ILE F 928 9.656 41.684 1.003 1.00 61.17 O ATOM 2956 CB ILE F 928 12.456 42.657 2.341 1.00 44.99 C ATOM 2957 CG1 ILE F 928 13.826 42.269 2.897 1.00 43.30 C ATOM 2958 CG2 ILE F 928 11.412 42.631 3.446 1.00 43.14 C ATOM 2959 CD1 ILE F 928 13.900 40.849 3.410 1.00 51.79 C ATOM 0 H ILE F 928 13.694 42.272 0.230 1.00 48.29 H new ATOM 0 HA ILE F 928 11.963 40.816 1.530 1.00 45.79 H new ATOM 0 HB ILE F 928 12.509 43.560 1.991 1.00 44.99 H new ATOM 0 HG12 ILE F 928 14.492 42.387 2.202 1.00 43.30 H new ATOM 0 HG13 ILE F 928 14.056 42.876 3.618 1.00 43.30 H new ATOM 0 HG21 ILE F 928 11.683 43.227 4.162 1.00 43.14 H new ATOM 0 HG22 ILE F 928 10.557 42.921 3.091 1.00 43.14 H new ATOM 0 HG23 ILE F 928 11.328 41.728 3.791 1.00 43.14 H new ATOM 0 HD11 ILE F 928 14.793 40.672 3.746 1.00 51.79 H new ATOM 0 HD12 ILE F 928 13.256 40.729 4.125 1.00 51.79 H new ATOM 0 HD13 ILE F 928 13.699 40.233 2.688 1.00 51.79 H new ATOM 2960 N HIS F 929 10.773 43.103 -0.340 1.00 49.10 N ATOM 2961 CA HIS F 929 9.571 43.689 -0.921 1.00 52.42 C ATOM 2962 C HIS F 929 8.753 42.679 -1.723 1.00 53.33 C ATOM 2963 O HIS F 929 7.522 42.731 -1.726 1.00 71.07 O ATOM 2964 CB HIS F 929 9.943 44.875 -1.810 1.00 49.51 C ATOM 2965 CG HIS F 929 8.911 45.957 -1.835 1.00 56.16 C ATOM 2966 ND1 HIS F 929 8.217 46.300 -2.976 1.00 60.56 N ATOM 2967 CD2 HIS F 929 8.452 46.772 -0.857 1.00 58.97 C ATOM 2968 CE1 HIS F 929 7.378 47.281 -2.699 1.00 77.16 C ATOM 2969 NE2 HIS F 929 7.499 47.586 -1.419 1.00 56.09 N ATOM 0 H HIS F 929 11.508 43.411 -0.663 1.00 49.10 H new ATOM 0 HA HIS F 929 9.017 43.988 -0.183 1.00 52.42 H new ATOM 0 HB2 HIS F 929 10.784 45.248 -1.502 1.00 49.51 H new ATOM 0 HB3 HIS F 929 10.088 44.557 -2.715 1.00 49.51 H new ATOM 0 HD2 HIS F 929 8.730 46.780 0.030 1.00 58.97 H new ATOM 0 HE1 HIS F 929 6.800 47.688 -3.303 1.00 77.16 H new ATOM 0 HE2 HIS F 929 7.054 48.195 -1.005 1.00 56.09 H new ATOM 2970 N SER F 930 9.439 41.762 -2.398 1.00 43.20 N ATOM 2971 CA SER F 930 8.774 40.764 -3.230 1.00 42.78 C ATOM 2972 C SER F 930 7.939 39.799 -2.395 1.00 44.79 C ATOM 2973 O SER F 930 7.022 39.154 -2.904 1.00 50.84 O ATOM 2974 CB SER F 930 9.801 39.984 -4.055 1.00 42.82 C ATOM 2975 OG SER F 930 10.682 39.247 -3.223 1.00 40.79 O ATOM 0 H SER F 930 10.297 41.700 -2.387 1.00 43.20 H new ATOM 0 HA SER F 930 8.175 41.238 -3.828 1.00 42.78 H new ATOM 0 HB2 SER F 930 9.341 39.379 -4.658 1.00 42.82 H new ATOM 0 HB3 SER F 930 10.311 40.599 -4.604 1.00 42.82 H new ATOM 0 HG SER F 930 11.002 39.754 -2.635 1.00 40.79 H new ATOM 2976 N LEU F 931 8.261 39.707 -1.109 1.00 41.48 N ATOM 2977 CA LEU F 931 7.539 38.830 -0.198 1.00 43.08 C ATOM 2978 C LEU F 931 6.186 39.427 0.177 1.00 57.49 C ATOM 2979 O LEU F 931 6.065 40.643 0.333 1.00 54.36 O ATOM 2980 CB LEU F 931 8.372 38.568 1.058 1.00 37.31 C ATOM 2981 CG LEU F 931 9.750 37.953 0.816 1.00 48.90 C ATOM 2982 CD1 LEU F 931 10.463 37.701 2.137 1.00 48.07 C ATOM 2983 CD2 LEU F 931 9.625 36.669 0.009 1.00 47.96 C ATOM 0 H LEU F 931 8.901 40.149 -0.742 1.00 41.48 H new ATOM 0 HA LEU F 931 7.382 37.987 -0.651 1.00 43.08 H new ATOM 0 HB2 LEU F 931 8.488 39.407 1.531 1.00 37.31 H new ATOM 0 HB3 LEU F 931 7.870 37.979 1.643 1.00 37.31 H new ATOM 0 HG LEU F 931 10.283 38.581 0.303 1.00 48.90 H new ATOM 0 HD11 LEU F 931 11.334 37.311 1.965 1.00 48.07 H new ATOM 0 HD12 LEU F 931 10.572 38.540 2.611 1.00 48.07 H new ATOM 0 HD13 LEU F 931 9.937 37.091 2.677 1.00 48.07 H new ATOM 0 HD21 LEU F 931 10.506 36.291 -0.136 1.00 47.96 H new ATOM 0 HD22 LEU F 931 9.077 36.033 0.495 1.00 47.96 H new ATOM 0 HD23 LEU F 931 9.212 36.863 -0.847 1.00 47.96 H new ATOM 2984 N PRO F 932 5.163 38.569 0.319 1.00 76.98 N ATOM 2985 CA PRO F 932 3.793 38.992 0.635 1.00 61.03 C ATOM 2986 C PRO F 932 3.664 39.638 2.010 1.00 51.26 C ATOM 2987 O PRO F 932 3.995 39.014 3.017 1.00 46.59 O ATOM 2988 CB PRO F 932 2.999 37.679 0.583 1.00 69.84 C ATOM 2989 CG PRO F 932 3.837 36.748 -0.225 1.00 69.79 C ATOM 2990 CD PRO F 932 5.248 37.115 0.107 1.00 78.69 C ATOM 0 HA PRO F 932 3.480 39.672 0.018 1.00 61.03 H new ATOM 0 HB2 PRO F 932 2.844 37.328 1.474 1.00 69.84 H new ATOM 0 HB3 PRO F 932 2.129 37.811 0.175 1.00 69.84 H new ATOM 0 HG2 PRO F 932 3.652 35.823 0.000 1.00 69.79 H new ATOM 0 HG3 PRO F 932 3.661 36.850 -1.173 1.00 69.79 H new ATOM 0 HD2 PRO F 932 5.563 36.653 0.900 1.00 78.69 H new ATOM 0 HD3 PRO F 932 5.858 36.891 -0.613 1.00 78.69 H new ATOM 2991 N GLY F 933 3.184 40.878 2.040 1.00 48.91 N ATOM 2992 CA GLY F 933 2.929 41.577 3.286 1.00 44.96 C ATOM 2993 C GLY F 933 4.166 42.125 3.974 1.00 44.60 C ATOM 2994 O GLY F 933 4.078 42.663 5.078 1.00 44.43 O ATOM 0 H GLY F 933 2.998 41.335 1.335 1.00 48.91 H new ATOM 0 HA2 GLY F 933 2.320 42.311 3.111 1.00 44.96 H new ATOM 0 HA3 GLY F 933 2.477 40.972 3.895 1.00 44.96 H new ATOM 2995 N CYS F 934 5.317 41.993 3.322 1.00 42.18 N ATOM 2996 CA CYS F 934 6.576 42.469 3.885 1.00 50.92 C ATOM 2997 C CYS F 934 7.085 43.690 3.123 1.00 54.31 C ATOM 2998 O CYS F 934 8.292 43.915 3.018 1.00 56.77 O ATOM 2999 CB CYS F 934 7.624 41.356 3.859 1.00 35.14 C ATOM 3000 SG CYS F 934 7.055 39.774 4.522 1.00 46.92 S ATOM 0 H CYS F 934 5.390 41.628 2.547 1.00 42.18 H new ATOM 0 HA CYS F 934 6.417 42.729 4.806 1.00 50.92 H new ATOM 0 HB2 CYS F 934 7.916 41.224 2.943 1.00 35.14 H new ATOM 0 HB3 CYS F 934 8.399 41.646 4.365 1.00 35.14 H new ATOM 0 HG CYS F 934 6.002 39.486 4.024 1.00 46.92 H new ATOM 3001 N GLN F 935 6.154 44.484 2.606 1.00 55.18 N ATOM 3002 CA GLN F 935 6.494 45.593 1.723 1.00 48.70 C ATOM 3003 C GLN F 935 7.004 46.816 2.485 1.00 53.97 C ATOM 3004 O GLN F 935 8.009 47.414 2.104 1.00 48.39 O ATOM 3005 CB GLN F 935 5.281 45.964 0.868 1.00 63.61 C ATOM 3006 CG GLN F 935 4.536 44.749 0.328 1.00 61.90 C ATOM 3007 CD GLN F 935 4.286 44.815 -1.165 1.00 78.87 C ATOM 3008 OE1 GLN F 935 3.738 45.793 -1.671 1.00 81.95 O ATOM 3009 NE2 GLN F 935 4.692 43.771 -1.880 1.00 74.47 N ATOM 0 H GLN F 935 5.312 44.396 2.756 1.00 55.18 H new ATOM 0 HA GLN F 935 7.220 45.298 1.151 1.00 48.70 H new ATOM 0 HB2 GLN F 935 4.671 46.502 1.397 1.00 63.61 H new ATOM 0 HB3 GLN F 935 5.572 46.515 0.125 1.00 63.61 H new ATOM 0 HG2 GLN F 935 5.046 43.949 0.529 1.00 61.90 H new ATOM 0 HG3 GLN F 935 3.686 44.667 0.789 1.00 61.90 H new ATOM 0 HE21 GLN F 935 5.072 43.105 -1.491 1.00 74.47 H new ATOM 0 HE22 GLN F 935 4.575 43.762 -2.732 1.00 74.47 H new ATOM 3010 N ASP F 936 6.316 47.187 3.561 1.00 62.12 N ATOM 3011 CA ASP F 936 6.739 48.323 4.377 1.00 56.82 C ATOM 3012 C ASP F 936 8.008 48.002 5.156 1.00 64.39 C ATOM 3013 O ASP F 936 8.853 48.870 5.378 1.00 55.02 O ATOM 3014 CB ASP F 936 5.631 48.739 5.345 1.00 49.14 C ATOM 3015 CG ASP F 936 4.489 49.452 4.655 1.00 82.78 C ATOM 3016 OD1 ASP F 936 4.720 50.057 3.586 1.00 71.85 O ATOM 3017 OD2 ASP F 936 3.360 49.414 5.189 1.00 98.35 O1+ ATOM 0 H ASP F 936 5.602 46.795 3.836 1.00 62.12 H new ATOM 0 HA ASP F 936 6.925 49.060 3.774 1.00 56.82 H new ATOM 0 HB2 ASP F 936 5.290 47.952 5.797 1.00 49.14 H new ATOM 0 HB3 ASP F 936 6.004 49.319 6.027 1.00 49.14 H new ATOM 3018 N ILE F 937 8.124 46.748 5.575 1.00 53.20 N ATOM 3019 CA ILE F 937 9.283 46.276 6.321 1.00 47.85 C ATOM 3020 C ILE F 937 10.555 46.403 5.485 1.00 44.07 C ATOM 3021 O ILE F 937 11.629 46.717 6.006 1.00 44.48 O ATOM 3022 CB ILE F 937 9.071 44.819 6.769 1.00 44.68 C ATOM 3023 CG1 ILE F 937 7.989 44.767 7.848 1.00 43.96 C ATOM 3024 CG2 ILE F 937 10.360 44.205 7.277 1.00 54.78 C ATOM 3025 CD1 ILE F 937 7.407 43.397 8.060 1.00 49.07 C ATOM 0 H ILE F 937 7.529 46.143 5.434 1.00 53.20 H new ATOM 0 HA ILE F 937 9.386 46.830 7.110 1.00 47.85 H new ATOM 0 HB ILE F 937 8.784 44.300 6.002 1.00 44.68 H new ATOM 0 HG12 ILE F 937 8.364 45.083 8.685 1.00 43.96 H new ATOM 0 HG13 ILE F 937 7.275 45.379 7.608 1.00 43.96 H new ATOM 0 HG21 ILE F 937 10.196 43.289 7.552 1.00 54.78 H new ATOM 0 HG22 ILE F 937 11.025 44.216 6.570 1.00 54.78 H new ATOM 0 HG23 ILE F 937 10.685 44.716 8.035 1.00 54.78 H new ATOM 0 HD11 ILE F 937 6.731 43.436 8.754 1.00 49.07 H new ATOM 0 HD12 ILE F 937 7.005 43.085 7.234 1.00 49.07 H new ATOM 0 HD13 ILE F 937 8.110 42.785 8.328 1.00 49.07 H new ATOM 3026 N ALA F 938 10.417 46.182 4.181 1.00 47.83 N ATOM 3027 CA ALA F 938 11.527 46.329 3.248 1.00 47.43 C ATOM 3028 C ALA F 938 12.123 47.731 3.312 1.00 45.93 C ATOM 3029 O ALA F 938 13.336 47.904 3.203 1.00 48.26 O ATOM 3030 CB ALA F 938 11.069 46.010 1.834 1.00 40.55 C ATOM 0 H ALA F 938 9.677 45.943 3.813 1.00 47.83 H new ATOM 0 HA ALA F 938 12.220 45.701 3.504 1.00 47.43 H new ATOM 0 HB1 ALA F 938 11.815 46.111 1.222 1.00 40.55 H new ATOM 0 HB2 ALA F 938 10.742 45.097 1.798 1.00 40.55 H new ATOM 0 HB3 ALA F 938 10.357 46.618 1.579 1.00 40.55 H new ATOM 3031 N ASP F 939 11.265 48.729 3.499 1.00 46.49 N ATOM 3032 CA ASP F 939 11.714 50.111 3.623 1.00 52.58 C ATOM 3033 C ASP F 939 12.495 50.323 4.913 1.00 38.96 C ATOM 3034 O ASP F 939 13.417 51.135 4.963 1.00 40.51 O ATOM 3035 CB ASP F 939 10.525 51.072 3.566 1.00 55.17 C ATOM 3036 CG ASP F 939 9.808 51.030 2.235 1.00 60.51 C ATOM 3037 OD1 ASP F 939 10.456 50.676 1.227 1.00 61.40 O ATOM 3038 OD2 ASP F 939 8.601 51.349 2.196 1.00 50.60 O1+ ATOM 0 H ASP F 939 10.413 48.625 3.557 1.00 46.49 H new ATOM 0 HA ASP F 939 12.304 50.297 2.876 1.00 52.58 H new ATOM 0 HB2 ASP F 939 9.900 50.850 4.274 1.00 55.17 H new ATOM 0 HB3 ASP F 939 10.835 51.976 3.734 1.00 55.17 H new ATOM 3039 N GLU F 940 12.122 49.589 5.956 1.00 36.09 N ATOM 3040 CA GLU F 940 12.835 49.665 7.222 1.00 49.73 C ATOM 3041 C GLU F 940 14.227 49.072 7.068 1.00 50.42 C ATOM 3042 O GLU F 940 15.199 49.599 7.606 1.00 57.41 O ATOM 3043 CB GLU F 940 12.068 48.940 8.328 1.00 49.28 C ATOM 3044 CG GLU F 940 12.611 49.213 9.718 1.00 56.41 C ATOM 3045 CD GLU F 940 12.564 50.685 10.075 1.00 72.44 C ATOM 3046 OE1 GLU F 940 11.525 51.329 9.815 1.00 82.70 O ATOM 3047 OE2 GLU F 940 13.570 51.202 10.607 1.00 61.50 O1+ ATOM 0 H GLU F 940 11.459 49.041 5.950 1.00 36.09 H new ATOM 0 HA GLU F 940 12.913 50.598 7.475 1.00 49.73 H new ATOM 0 HB2 GLU F 940 11.136 49.207 8.294 1.00 49.28 H new ATOM 0 HB3 GLU F 940 12.096 47.985 8.159 1.00 49.28 H new ATOM 0 HG2 GLU F 940 12.098 48.708 10.368 1.00 56.41 H new ATOM 0 HG3 GLU F 940 13.527 48.898 9.773 1.00 56.41 H new ATOM 3048 N PHE F 941 14.313 47.973 6.327 1.00 48.90 N ATOM 3049 CA PHE F 941 15.591 47.332 6.044 1.00 34.87 C ATOM 3050 C PHE F 941 16.533 48.284 5.317 1.00 40.11 C ATOM 3051 O PHE F 941 17.734 48.301 5.582 1.00 40.65 O ATOM 3052 CB PHE F 941 15.382 46.065 5.215 1.00 39.51 C ATOM 3053 CG PHE F 941 15.089 44.844 6.039 1.00 40.55 C ATOM 3054 CD1 PHE F 941 14.023 44.825 6.921 1.00 35.72 C ATOM 3055 CD2 PHE F 941 15.879 43.712 5.927 1.00 47.15 C ATOM 3056 CE1 PHE F 941 13.755 43.701 7.683 1.00 42.86 C ATOM 3057 CE2 PHE F 941 15.613 42.584 6.684 1.00 43.75 C ATOM 3058 CZ PHE F 941 14.548 42.580 7.562 1.00 35.93 C ATOM 0 H PHE F 941 13.634 47.579 5.975 1.00 48.90 H new ATOM 0 HA PHE F 941 15.997 47.090 6.891 1.00 34.87 H new ATOM 0 HB2 PHE F 941 14.650 46.211 4.596 1.00 39.51 H new ATOM 0 HB3 PHE F 941 16.176 45.903 4.682 1.00 39.51 H new ATOM 0 HD1 PHE F 941 13.480 45.576 7.003 1.00 35.72 H new ATOM 0 HD2 PHE F 941 16.597 43.710 5.336 1.00 47.15 H new ATOM 0 HE1 PHE F 941 13.039 43.702 8.277 1.00 42.86 H new ATOM 0 HE2 PHE F 941 16.151 41.830 6.601 1.00 43.75 H new ATOM 0 HZ PHE F 941 14.366 41.823 8.071 1.00 35.93 H new ATOM 3059 N ARG F 942 15.977 49.069 4.398 1.00 47.50 N ATOM 3060 CA ARG F 942 16.734 50.096 3.689 1.00 48.53 C ATOM 3061 C ARG F 942 17.364 51.083 4.649 1.00 41.01 C ATOM 3062 O ARG F 942 18.564 51.343 4.598 1.00 43.79 O ATOM 3063 CB ARG F 942 15.841 50.876 2.729 1.00 51.13 C ATOM 3064 CG ARG F 942 15.234 50.087 1.606 1.00 62.79 C ATOM 3065 CD ARG F 942 14.490 51.034 0.674 1.00 64.23 C ATOM 3066 NE ARG F 942 15.067 51.039 -0.665 1.00 80.89 N ATOM 3067 CZ ARG F 942 16.163 51.707 -1.003 1.00 87.20 C ATOM 3068 NH1 ARG F 942 16.809 52.419 -0.093 1.00 86.71 N1+ ATOM 3069 NH2 ARG F 942 16.612 51.657 -2.249 1.00 68.23 N ATOM 0 H ARG F 942 15.150 49.021 4.168 1.00 47.50 H new ATOM 0 HA ARG F 942 17.428 49.633 3.194 1.00 48.53 H new ATOM 0 HB2 ARG F 942 15.123 51.282 3.240 1.00 51.13 H new ATOM 0 HB3 ARG F 942 16.362 51.600 2.347 1.00 51.13 H new ATOM 0 HG2 ARG F 942 15.926 49.613 1.118 1.00 62.79 H new ATOM 0 HG3 ARG F 942 14.626 49.418 1.958 1.00 62.79 H new ATOM 0 HD2 ARG F 942 13.557 50.772 0.624 1.00 64.23 H new ATOM 0 HD3 ARG F 942 14.513 51.932 1.040 1.00 64.23 H new ATOM 0 HE ARG F 942 14.672 50.580 -1.275 1.00 80.89 H new ATOM 0 HH11 ARG F 942 16.518 52.448 0.716 1.00 86.71 H new ATOM 0 HH12 ARG F 942 17.519 52.852 -0.311 1.00 86.71 H new ATOM 0 HH21 ARG F 942 16.193 51.192 -2.839 1.00 68.23 H new ATOM 0 HH22 ARG F 942 17.322 52.090 -2.468 1.00 68.23 H new ATOM 3070 N ALA F 943 16.522 51.648 5.508 1.00 46.84 N ATOM 3071 CA ALA F 943 16.925 52.721 6.403 1.00 46.40 C ATOM 3072 C ALA F 943 17.988 52.262 7.390 1.00 52.72 C ATOM 3073 O ALA F 943 18.795 53.064 7.856 1.00 58.80 O ATOM 3074 CB ALA F 943 15.712 53.266 7.147 1.00 56.12 C ATOM 0 H ALA F 943 15.697 51.417 5.587 1.00 46.84 H new ATOM 0 HA ALA F 943 17.313 53.427 5.863 1.00 46.40 H new ATOM 0 HB1 ALA F 943 15.991 53.981 7.741 1.00 56.12 H new ATOM 0 HB2 ALA F 943 15.068 53.610 6.508 1.00 56.12 H new ATOM 0 HB3 ALA F 943 15.304 52.555 7.666 1.00 56.12 H new ATOM 3075 N GLN F 944 17.990 50.969 7.700 1.00 53.94 N ATOM 3076 CA GLN F 944 18.948 50.421 8.653 1.00 50.84 C ATOM 3077 C GLN F 944 20.220 49.934 7.964 1.00 50.69 C ATOM 3078 O GLN F 944 21.063 49.301 8.596 1.00 54.94 O ATOM 3079 CB GLN F 944 18.316 49.276 9.449 1.00 56.17 C ATOM 3080 CG GLN F 944 17.043 49.651 10.199 1.00 49.18 C ATOM 3081 CD GLN F 944 17.269 50.702 11.271 1.00 72.39 C ATOM 3082 OE1 GLN F 944 18.367 50.830 11.816 1.00 60.12 O ATOM 3083 NE2 GLN F 944 16.224 51.461 11.580 1.00 65.31 N ATOM 0 H GLN F 944 17.444 50.392 7.369 1.00 53.94 H new ATOM 0 HA GLN F 944 19.193 51.137 9.259 1.00 50.84 H new ATOM 0 HB2 GLN F 944 18.116 48.547 8.841 1.00 56.17 H new ATOM 0 HB3 GLN F 944 18.967 48.943 10.087 1.00 56.17 H new ATOM 0 HG2 GLN F 944 16.386 49.980 9.565 1.00 49.18 H new ATOM 0 HG3 GLN F 944 16.669 48.855 10.608 1.00 49.18 H new ATOM 0 HE21 GLN F 944 15.473 51.343 11.178 1.00 65.31 H new ATOM 0 HE22 GLN F 944 16.298 52.071 12.182 1.00 65.31 H new ATOM 3084 N GLU F 945 20.345 50.238 6.674 1.00 44.77 N ATOM 3085 CA GLU F 945 21.507 49.852 5.871 1.00 42.42 C ATOM 3086 C GLU F 945 21.818 48.360 5.961 1.00 40.06 C ATOM 3087 O GLU F 945 22.972 47.968 6.123 1.00 41.93 O ATOM 3088 CB GLU F 945 22.738 50.661 6.288 1.00 49.99 C ATOM 3089 CG GLU F 945 22.650 52.147 5.978 1.00 49.59 C ATOM 3090 CD GLU F 945 23.912 52.897 6.363 1.00 59.41 C ATOM 3091 OE1 GLU F 945 25.014 52.445 5.981 1.00 70.53 O ATOM 3092 OE2 GLU F 945 23.803 53.934 7.051 1.00 76.37 O1+ ATOM 0 H GLU F 945 19.752 50.679 6.234 1.00 44.77 H new ATOM 0 HA GLU F 945 21.282 50.046 4.948 1.00 42.42 H new ATOM 0 HB2 GLU F 945 22.877 50.549 7.241 1.00 49.99 H new ATOM 0 HB3 GLU F 945 23.518 50.295 5.842 1.00 49.99 H new ATOM 0 HG2 GLU F 945 22.482 52.267 5.030 1.00 49.59 H new ATOM 0 HG3 GLU F 945 21.894 52.529 6.450 1.00 49.59 H new ATOM 3093 N ILE F 946 20.782 47.534 5.863 1.00 41.74 N ATOM 3094 CA ILE F 946 20.963 46.089 5.885 1.00 38.62 C ATOM 3095 C ILE F 946 21.274 45.565 4.490 1.00 40.95 C ATOM 3096 O ILE F 946 20.389 45.466 3.642 1.00 43.75 O ATOM 3097 CB ILE F 946 19.718 45.362 6.434 1.00 44.54 C ATOM 3098 CG1 ILE F 946 19.451 45.779 7.880 1.00 41.34 C ATOM 3099 CG2 ILE F 946 19.898 43.851 6.350 1.00 42.71 C ATOM 3100 CD1 ILE F 946 18.309 45.028 8.525 1.00 45.89 C ATOM 0 H ILE F 946 19.965 47.791 5.783 1.00 41.74 H new ATOM 0 HA ILE F 946 21.710 45.907 6.477 1.00 38.62 H new ATOM 0 HB ILE F 946 18.955 45.613 5.890 1.00 44.54 H new ATOM 0 HG12 ILE F 946 20.256 45.640 8.403 1.00 41.34 H new ATOM 0 HG13 ILE F 946 19.258 46.729 7.904 1.00 41.34 H new ATOM 0 HG21 ILE F 946 19.107 43.411 6.699 1.00 42.71 H new ATOM 0 HG22 ILE F 946 20.030 43.592 5.425 1.00 42.71 H new ATOM 0 HG23 ILE F 946 20.671 43.587 6.873 1.00 42.71 H new ATOM 0 HD11 ILE F 946 18.192 45.338 9.437 1.00 45.89 H new ATOM 0 HD12 ILE F 946 17.494 45.185 8.023 1.00 45.89 H new ATOM 0 HD13 ILE F 946 18.507 44.079 8.530 1.00 45.89 H new ATOM 3101 N ASP F 947 22.542 45.248 4.253 1.00 43.79 N ATOM 3102 CA ASP F 947 22.947 44.611 3.008 1.00 43.96 C ATOM 3103 C ASP F 947 22.864 43.102 3.180 1.00 39.46 C ATOM 3104 O ASP F 947 22.441 42.618 4.230 1.00 45.92 O ATOM 3105 CB ASP F 947 24.360 45.037 2.605 1.00 36.74 C ATOM 3106 CG ASP F 947 25.392 44.691 3.656 1.00 45.93 C ATOM 3107 OD1 ASP F 947 25.001 44.501 4.826 1.00 44.38 O ATOM 3108 OD2 ASP F 947 26.592 44.610 3.318 1.00 52.39 O1+ ATOM 0 H ASP F 947 23.186 45.395 4.804 1.00 43.79 H new ATOM 0 HA ASP F 947 22.350 44.890 2.296 1.00 43.96 H new ATOM 0 HB2 ASP F 947 24.598 44.607 1.769 1.00 36.74 H new ATOM 0 HB3 ASP F 947 24.373 45.994 2.446 1.00 36.74 H new ATOM 3109 N GLY F 948 23.268 42.362 2.154 1.00 43.00 N ATOM 3110 CA GLY F 948 23.180 40.915 2.183 1.00 42.62 C ATOM 3111 C GLY F 948 23.994 40.299 3.302 1.00 43.47 C ATOM 3112 O GLY F 948 23.646 39.244 3.830 1.00 52.21 O ATOM 0 H GLY F 948 23.598 42.685 1.428 1.00 43.00 H new ATOM 0 HA2 GLY F 948 22.251 40.654 2.283 1.00 42.62 H new ATOM 0 HA3 GLY F 948 23.485 40.560 1.334 1.00 42.62 H new ATOM 3113 N GLN F 949 25.082 40.968 3.663 1.00 54.75 N ATOM 3114 CA GLN F 949 25.950 40.508 4.737 1.00 48.63 C ATOM 3115 C GLN F 949 25.232 40.592 6.079 1.00 39.93 C ATOM 3116 O GLN F 949 25.266 39.653 6.873 1.00 39.79 O ATOM 3117 CB GLN F 949 27.237 41.333 4.765 1.00 61.48 C ATOM 3118 CG GLN F 949 28.370 40.721 5.570 1.00 64.74 C ATOM 3119 CD GLN F 949 29.668 41.486 5.400 1.00 65.60 C ATOM 3120 OE1 GLN F 949 29.732 42.457 4.646 1.00 70.51 O ATOM 3121 NE2 GLN F 949 30.709 41.052 6.101 1.00 73.49 N ATOM 0 H GLN F 949 25.337 41.701 3.292 1.00 54.75 H new ATOM 0 HA GLN F 949 26.180 39.580 4.573 1.00 48.63 H new ATOM 0 HB2 GLN F 949 27.540 41.466 3.853 1.00 61.48 H new ATOM 0 HB3 GLN F 949 27.036 42.210 5.128 1.00 61.48 H new ATOM 0 HG2 GLN F 949 28.126 40.705 6.509 1.00 64.74 H new ATOM 0 HG3 GLN F 949 28.500 39.800 5.295 1.00 64.74 H new ATOM 0 HE21 GLN F 949 30.625 40.370 6.618 1.00 73.49 H new ATOM 0 HE22 GLN F 949 31.467 41.453 6.038 1.00 73.49 H new ATOM 3122 N ALA F 950 24.573 41.721 6.320 1.00 37.86 N ATOM 3123 CA ALA F 950 23.837 41.933 7.561 1.00 42.57 C ATOM 3124 C ALA F 950 22.546 41.123 7.579 1.00 49.05 C ATOM 3125 O ALA F 950 22.037 40.774 8.644 1.00 48.02 O ATOM 3126 CB ALA F 950 23.538 43.412 7.752 1.00 38.81 C ATOM 0 H ALA F 950 24.540 42.383 5.772 1.00 37.86 H new ATOM 0 HA ALA F 950 24.392 41.629 8.296 1.00 42.57 H new ATOM 0 HB1 ALA F 950 23.049 43.539 8.580 1.00 38.81 H new ATOM 0 HB2 ALA F 950 24.370 43.908 7.789 1.00 38.81 H new ATOM 0 HB3 ALA F 950 23.004 43.733 7.009 1.00 38.81 H new ATOM 3127 N LEU F 951 22.019 40.829 6.396 1.00 45.52 N ATOM 3128 CA LEU F 951 20.800 40.040 6.279 1.00 43.06 C ATOM 3129 C LEU F 951 21.033 38.607 6.747 1.00 35.22 C ATOM 3130 O LEU F 951 20.151 37.983 7.333 1.00 40.80 O ATOM 3131 CB LEU F 951 20.292 40.052 4.835 1.00 48.62 C ATOM 3132 CG LEU F 951 18.942 39.385 4.561 1.00 48.47 C ATOM 3133 CD1 LEU F 951 17.818 40.136 5.256 1.00 39.13 C ATOM 3134 CD2 LEU F 951 18.681 39.290 3.065 1.00 39.10 C ATOM 0 H LEU F 951 22.355 41.079 5.645 1.00 45.52 H new ATOM 0 HA LEU F 951 20.125 40.440 6.850 1.00 43.06 H new ATOM 0 HB2 LEU F 951 20.235 40.976 4.544 1.00 48.62 H new ATOM 0 HB3 LEU F 951 20.959 39.620 4.278 1.00 48.62 H new ATOM 0 HG LEU F 951 18.972 38.485 4.921 1.00 48.47 H new ATOM 0 HD11 LEU F 951 16.973 39.698 5.070 1.00 39.13 H new ATOM 0 HD12 LEU F 951 17.975 40.141 6.213 1.00 39.13 H new ATOM 0 HD13 LEU F 951 17.788 41.049 4.929 1.00 39.13 H new ATOM 0 HD21 LEU F 951 17.822 38.865 2.912 1.00 39.10 H new ATOM 0 HD22 LEU F 951 18.674 40.180 2.680 1.00 39.10 H new ATOM 0 HD23 LEU F 951 19.380 38.764 2.647 1.00 39.10 H new ATOM 3135 N LEU F 952 22.233 38.096 6.490 1.00 40.12 N ATOM 3136 CA LEU F 952 22.592 36.732 6.870 1.00 39.28 C ATOM 3137 C LEU F 952 23.021 36.643 8.331 1.00 46.32 C ATOM 3138 O LEU F 952 23.235 35.552 8.860 1.00 32.36 O ATOM 3139 CB LEU F 952 23.713 36.206 5.969 1.00 44.54 C ATOM 3140 CG LEU F 952 23.379 36.030 4.486 1.00 49.15 C ATOM 3141 CD1 LEU F 952 24.624 35.669 3.687 1.00 37.27 C ATOM 3142 CD2 LEU F 952 22.301 34.973 4.309 1.00 49.52 C ATOM 0 H LEU F 952 22.861 38.528 6.092 1.00 40.12 H new ATOM 0 HA LEU F 952 21.800 36.183 6.757 1.00 39.28 H new ATOM 0 HB2 LEU F 952 24.467 36.812 6.039 1.00 44.54 H new ATOM 0 HB3 LEU F 952 24.004 35.349 6.317 1.00 44.54 H new ATOM 0 HG LEU F 952 23.042 36.874 4.147 1.00 49.15 H new ATOM 0 HD11 LEU F 952 24.389 35.563 2.752 1.00 37.27 H new ATOM 0 HD12 LEU F 952 25.282 36.376 3.776 1.00 37.27 H new ATOM 0 HD13 LEU F 952 24.995 34.838 4.023 1.00 37.27 H new ATOM 0 HD21 LEU F 952 22.099 34.871 3.366 1.00 49.52 H new ATOM 0 HD22 LEU F 952 22.615 34.127 4.665 1.00 49.52 H new ATOM 0 HD23 LEU F 952 21.500 35.245 4.783 1.00 49.52 H new ATOM 3143 N LEU F 953 23.149 37.796 8.979 1.00 42.97 N ATOM 3144 CA LEU F 953 23.565 37.849 10.377 1.00 44.58 C ATOM 3145 C LEU F 953 22.371 38.013 11.310 1.00 48.36 C ATOM 3146 O LEU F 953 22.502 37.882 12.527 1.00 48.36 O ATOM 3147 CB LEU F 953 24.560 38.990 10.596 1.00 39.96 C ATOM 3148 CG LEU F 953 25.989 38.741 10.113 1.00 40.76 C ATOM 3149 CD1 LEU F 953 26.817 40.011 10.212 1.00 43.25 C ATOM 3150 CD2 LEU F 953 26.631 37.620 10.915 1.00 40.88 C ATOM 0 H LEU F 953 22.999 38.565 8.624 1.00 42.97 H new ATOM 0 HA LEU F 953 23.996 37.006 10.586 1.00 44.58 H new ATOM 0 HB2 LEU F 953 24.220 39.781 10.149 1.00 39.96 H new ATOM 0 HB3 LEU F 953 24.589 39.191 11.544 1.00 39.96 H new ATOM 0 HG LEU F 953 25.956 38.473 9.181 1.00 40.76 H new ATOM 0 HD11 LEU F 953 27.719 39.834 9.902 1.00 43.25 H new ATOM 0 HD12 LEU F 953 26.416 40.703 9.662 1.00 43.25 H new ATOM 0 HD13 LEU F 953 26.845 40.308 11.135 1.00 43.25 H new ATOM 0 HD21 LEU F 953 27.536 37.473 10.599 1.00 40.88 H new ATOM 0 HD22 LEU F 953 26.653 37.865 11.853 1.00 40.88 H new ATOM 0 HD23 LEU F 953 26.114 36.806 10.805 1.00 40.88 H new ATOM 3151 N LEU F 954 21.211 38.306 10.733 1.00 32.43 N ATOM 3152 CA LEU F 954 19.986 38.476 11.504 1.00 33.55 C ATOM 3153 C LEU F 954 19.572 37.184 12.199 1.00 45.44 C ATOM 3154 O LEU F 954 19.696 36.097 11.636 1.00 39.32 O ATOM 3155 CB LEU F 954 18.856 38.967 10.599 1.00 39.13 C ATOM 3156 CG LEU F 954 18.849 40.465 10.293 1.00 34.77 C ATOM 3157 CD1 LEU F 954 17.978 40.766 9.087 1.00 39.32 C ATOM 3158 CD2 LEU F 954 18.361 41.235 11.507 1.00 36.77 C ATOM 0 H LEU F 954 21.112 38.412 9.885 1.00 32.43 H new ATOM 0 HA LEU F 954 20.162 39.139 12.190 1.00 33.55 H new ATOM 0 HB2 LEU F 954 18.904 38.483 9.760 1.00 39.13 H new ATOM 0 HB3 LEU F 954 18.010 38.735 11.012 1.00 39.13 H new ATOM 0 HG LEU F 954 19.754 40.744 10.084 1.00 34.77 H new ATOM 0 HD11 LEU F 954 17.988 41.720 8.911 1.00 39.32 H new ATOM 0 HD12 LEU F 954 18.321 40.291 8.314 1.00 39.32 H new ATOM 0 HD13 LEU F 954 17.068 40.480 9.265 1.00 39.32 H new ATOM 0 HD21 LEU F 954 18.358 42.184 11.309 1.00 36.77 H new ATOM 0 HD22 LEU F 954 17.462 40.949 11.732 1.00 36.77 H new ATOM 0 HD23 LEU F 954 18.951 41.064 12.258 1.00 36.77 H new ATOM 3159 N LYS F 955 19.087 37.313 13.430 1.00 48.07 N ATOM 3160 CA LYS F 955 18.602 36.172 14.197 1.00 43.67 C ATOM 3161 C LYS F 955 17.094 36.263 14.383 1.00 49.38 C ATOM 3162 O LYS F 955 16.477 37.273 14.040 1.00 56.23 O ATOM 3163 CB LYS F 955 19.290 36.093 15.563 1.00 45.21 C ATOM 3164 CG LYS F 955 20.811 36.085 15.508 1.00 72.76 C ATOM 3165 CD LYS F 955 21.408 35.753 16.869 1.00 57.37 C ATOM 3166 CE LYS F 955 22.909 35.990 16.894 1.00 62.63 C ATOM 3167 NZ LYS F 955 23.260 37.203 17.685 1.00 48.43 N1+ ATOM 0 H LYS F 955 19.030 38.065 13.844 1.00 48.07 H new ATOM 0 HA LYS F 955 18.815 35.367 13.700 1.00 43.67 H new ATOM 0 HB2 LYS F 955 19.002 36.847 16.101 1.00 45.21 H new ATOM 0 HB3 LYS F 955 18.990 35.290 16.017 1.00 45.21 H new ATOM 0 HG2 LYS F 955 21.110 35.435 14.853 1.00 72.76 H new ATOM 0 HG3 LYS F 955 21.131 36.952 15.214 1.00 72.76 H new ATOM 0 HD2 LYS F 955 20.983 36.296 17.551 1.00 57.37 H new ATOM 0 HD3 LYS F 955 21.222 34.826 17.087 1.00 57.37 H new ATOM 0 HE2 LYS F 955 23.353 35.216 17.273 1.00 62.63 H new ATOM 0 HE3 LYS F 955 23.237 36.089 15.986 1.00 62.63 H new ATOM 0 HZ1 LYS F 955 24.143 37.315 17.681 1.00 48.43 H new ATOM 0 HZ2 LYS F 955 22.869 37.916 17.324 1.00 48.43 H new ATOM 0 HZ3 LYS F 955 22.978 37.103 18.523 1.00 48.43 H new ATOM 3168 N GLU F 956 16.509 35.207 14.937 1.00 52.80 N ATOM 3169 CA GLU F 956 15.068 35.150 15.141 1.00 53.59 C ATOM 3170 C GLU F 956 14.611 36.225 16.123 1.00 64.53 C ATOM 3171 O GLU F 956 13.562 36.837 15.939 1.00 68.21 O ATOM 3172 CB GLU F 956 14.658 33.761 15.637 1.00 59.67 C ATOM 3173 CG GLU F 956 13.299 33.296 15.138 1.00 70.75 C ATOM 3174 CD GLU F 956 12.933 31.919 15.656 1.00 69.57 C ATOM 3175 OE1 GLU F 956 12.880 30.969 14.846 1.00 58.79 O ATOM 3176 OE2 GLU F 956 12.701 31.789 16.877 1.00 67.17 O1+ ATOM 0 H GLU F 956 16.933 34.508 15.203 1.00 52.80 H new ATOM 0 HA GLU F 956 14.634 35.318 14.290 1.00 53.59 H new ATOM 0 HB2 GLU F 956 15.330 33.119 15.360 1.00 59.67 H new ATOM 0 HB3 GLU F 956 14.651 33.764 16.607 1.00 59.67 H new ATOM 0 HG2 GLU F 956 12.621 33.933 15.413 1.00 70.75 H new ATOM 0 HG3 GLU F 956 13.300 33.284 14.168 1.00 70.75 H new ATOM 3177 N ASP F 957 15.413 36.454 17.159 1.00 51.02 N ATOM 3178 CA ASP F 957 15.113 37.460 18.174 1.00 53.64 C ATOM 3179 C ASP F 957 15.047 38.862 17.577 1.00 59.33 C ATOM 3180 O ASP F 957 14.253 39.702 18.007 1.00 60.68 O ATOM 3181 CB ASP F 957 16.161 37.414 19.290 1.00 62.86 C ATOM 3182 CG ASP F 957 16.001 38.543 20.288 1.00 83.87 C ATOM 3183 OD1 ASP F 957 15.050 38.490 21.098 1.00 95.42 O ATOM 3184 OD2 ASP F 957 16.831 39.478 20.271 1.00 73.63 O1+ ATOM 0 H ASP F 957 16.149 36.029 17.294 1.00 51.02 H new ATOM 0 HA ASP F 957 14.240 37.253 18.543 1.00 53.64 H new ATOM 0 HB2 ASP F 957 16.097 36.565 19.755 1.00 62.86 H new ATOM 0 HB3 ASP F 957 17.047 37.456 18.898 1.00 62.86 H new ATOM 3185 N HIS F 958 15.892 39.102 16.582 1.00 61.45 N ATOM 3186 CA HIS F 958 15.960 40.391 15.913 1.00 62.29 C ATOM 3187 C HIS F 958 14.666 40.709 15.187 1.00 74.11 C ATOM 3188 O HIS F 958 14.242 41.864 15.118 1.00 80.97 O ATOM 3189 CB HIS F 958 17.126 40.407 14.930 1.00 45.41 C ATOM 3190 CG HIS F 958 18.470 40.396 15.590 1.00 44.69 C ATOM 3191 ND1 HIS F 958 19.489 39.561 15.196 1.00 43.58 N ATOM 3192 CD2 HIS F 958 18.958 41.129 16.620 1.00 52.27 C ATOM 3193 CE1 HIS F 958 20.551 39.772 15.958 1.00 38.52 C ATOM 3194 NE2 HIS F 958 20.254 40.720 16.825 1.00 47.42 N ATOM 0 H HIS F 958 16.444 38.518 16.275 1.00 61.45 H new ATOM 0 HA HIS F 958 16.098 41.072 16.590 1.00 62.29 H new ATOM 0 HB2 HIS F 958 17.056 39.637 14.345 1.00 45.41 H new ATOM 0 HB3 HIS F 958 17.056 41.196 14.370 1.00 45.41 H new ATOM 0 HD2 HIS F 958 18.502 41.784 17.097 1.00 52.27 H new ATOM 0 HE1 HIS F 958 21.366 39.328 15.893 1.00 38.52 H new ATOM 0 HE2 HIS F 958 20.787 41.033 17.424 1.00 47.42 H new ATOM 3195 N LEU F 959 14.044 39.669 14.646 1.00 67.76 N ATOM 3196 CA LEU F 959 12.835 39.821 13.851 1.00 75.92 C ATOM 3197 C LEU F 959 11.584 39.872 14.710 1.00 84.54 C ATOM 3198 O LEU F 959 10.808 40.828 14.635 1.00108.88 O ATOM 3199 CB LEU F 959 12.716 38.679 12.847 1.00 65.05 C ATOM 3200 CG LEU F 959 13.786 38.641 11.762 1.00 65.41 C ATOM 3201 CD1 LEU F 959 13.428 37.606 10.717 1.00 55.33 C ATOM 3202 CD2 LEU F 959 13.936 40.014 11.134 1.00 53.96 C ATOM 0 H LEU F 959 14.311 38.856 14.730 1.00 67.76 H new ATOM 0 HA LEU F 959 12.908 40.667 13.382 1.00 75.92 H new ATOM 0 HB2 LEU F 959 12.740 37.839 13.332 1.00 65.05 H new ATOM 0 HB3 LEU F 959 11.847 38.735 12.420 1.00 65.05 H new ATOM 0 HG LEU F 959 14.635 38.392 12.159 1.00 65.41 H new ATOM 0 HD11 LEU F 959 14.113 37.588 10.031 1.00 55.33 H new ATOM 0 HD12 LEU F 959 13.366 36.733 11.134 1.00 55.33 H new ATOM 0 HD13 LEU F 959 12.575 37.833 10.315 1.00 55.33 H new ATOM 0 HD21 LEU F 959 14.618 39.982 10.445 1.00 53.96 H new ATOM 0 HD22 LEU F 959 13.092 40.284 10.740 1.00 53.96 H new ATOM 0 HD23 LEU F 959 14.194 40.655 11.815 1.00 53.96 H new ATOM 3203 N MET F 960 11.386 38.834 15.515 1.00 82.87 N ATOM 3204 CA MET F 960 10.180 38.727 16.321 1.00 97.98 C ATOM 3205 C MET F 960 10.046 39.922 17.266 1.00 95.11 C ATOM 3206 O MET F 960 9.110 40.715 17.140 1.00 66.87 O ATOM 3207 CB MET F 960 10.174 37.409 17.105 1.00 80.18 C ATOM 3208 CG MET F 960 10.458 36.169 16.246 1.00 80.06 C ATOM 3209 SD MET F 960 9.280 35.876 14.905 1.00 89.15 S ATOM 3210 CE MET F 960 10.210 34.724 13.886 1.00 76.64 C ATOM 0 H MET F 960 11.939 38.182 15.608 1.00 82.87 H new ATOM 0 HA MET F 960 9.415 38.732 15.725 1.00 97.98 H new ATOM 0 HB2 MET F 960 10.837 37.461 17.811 1.00 80.18 H new ATOM 0 HB3 MET F 960 9.311 37.303 17.534 1.00 80.18 H new ATOM 0 HG2 MET F 960 11.346 36.254 15.865 1.00 80.06 H new ATOM 0 HG3 MET F 960 10.470 35.389 16.823 1.00 80.06 H new ATOM 0 HE1 MET F 960 9.855 34.731 12.983 1.00 76.64 H new ATOM 0 HE2 MET F 960 11.143 34.988 13.868 1.00 76.64 H new ATOM 0 HE3 MET F 960 10.134 33.830 14.256 1.00 76.64 H new ATOM 3211 N SER F 961 11.009 40.074 18.173 1.00102.08 N ATOM 3212 CA SER F 961 10.890 41.025 19.276 1.00101.19 C ATOM 3213 C SER F 961 11.770 42.276 19.161 1.00 92.65 C ATOM 3214 O SER F 961 11.265 43.396 19.268 1.00 94.90 O ATOM 3215 CB SER F 961 11.206 40.318 20.599 1.00 85.39 C ATOM 3216 OG SER F 961 12.552 39.873 20.628 1.00 87.80 O ATOM 0 H SER F 961 11.746 39.631 18.167 1.00102.08 H new ATOM 0 HA SER F 961 9.973 41.340 19.241 1.00101.19 H new ATOM 0 HB2 SER F 961 11.046 40.924 21.340 1.00 85.39 H new ATOM 0 HB3 SER F 961 10.609 39.562 20.716 1.00 85.39 H new ATOM 0 HG SER F 961 12.705 39.490 21.360 1.00 87.80 H new ATOM 3217 N ALA F 962 13.071 42.083 18.942 1.00 68.49 N ATOM 3218 CA ALA F 962 14.070 43.147 19.112 1.00 59.87 C ATOM 3219 C ALA F 962 13.734 44.455 18.388 1.00 68.55 C ATOM 3220 O ALA F 962 14.203 45.525 18.785 1.00 96.77 O ATOM 3221 CB ALA F 962 15.436 42.650 18.672 1.00 65.68 C ATOM 0 H ALA F 962 13.402 41.330 18.690 1.00 68.49 H new ATOM 0 HA ALA F 962 14.070 43.360 20.058 1.00 59.87 H new ATOM 0 HB1 ALA F 962 16.090 43.357 18.787 1.00 65.68 H new ATOM 0 HB2 ALA F 962 15.691 41.884 19.210 1.00 65.68 H new ATOM 0 HB3 ALA F 962 15.401 42.391 17.738 1.00 65.68 H new ATOM 3222 N MET F 963 12.915 44.366 17.351 1.00 70.73 N ATOM 3223 CA MET F 963 12.439 45.561 16.674 1.00 83.98 C ATOM 3224 C MET F 963 10.941 45.454 16.391 1.00 84.46 C ATOM 3225 O MET F 963 10.414 44.359 16.240 1.00 72.43 O ATOM 3226 CB MET F 963 13.237 45.826 15.392 1.00 77.45 C ATOM 3227 CG MET F 963 14.658 45.272 15.404 1.00 99.91 C ATOM 3228 SD MET F 963 15.905 46.396 16.077 1.00116.80 S ATOM 3229 CE MET F 963 17.262 45.270 16.385 1.00 76.26 C ATOM 0 H MET F 963 12.624 43.626 17.024 1.00 70.73 H new ATOM 0 HA MET F 963 12.579 46.321 17.261 1.00 83.98 H new ATOM 0 HB2 MET F 963 12.758 45.441 14.641 1.00 77.45 H new ATOM 0 HB3 MET F 963 13.277 46.783 15.242 1.00 77.45 H new ATOM 0 HG2 MET F 963 14.667 44.452 15.921 1.00 99.91 H new ATOM 0 HG3 MET F 963 14.908 45.038 14.496 1.00 99.91 H new ATOM 0 HE1 MET F 963 18.104 45.740 16.277 1.00 76.26 H new ATOM 0 HE2 MET F 963 17.198 44.926 17.290 1.00 76.26 H new ATOM 0 HE3 MET F 963 17.220 44.533 15.756 1.00 76.26 H new ATOM 3230 N ASN F 964 10.263 46.599 16.350 1.00104.19 N ATOM 3231 CA ASN F 964 8.828 46.637 16.088 1.00 82.10 C ATOM 3232 C ASN F 964 8.490 46.197 14.663 1.00 76.09 C ATOM 3233 O ASN F 964 8.431 47.013 13.740 1.00 70.93 O ATOM 3234 CB ASN F 964 8.264 48.040 16.357 1.00 70.67 C ATOM 3235 CG ASN F 964 9.135 49.147 15.789 1.00 85.07 C ATOM 3236 OD1 ASN F 964 9.673 49.968 16.533 1.00 89.26 O ATOM 3237 ND2 ASN F 964 9.284 49.172 14.467 1.00 83.62 N ATOM 0 H ASN F 964 10.621 47.371 16.473 1.00104.19 H new ATOM 0 HA ASN F 964 8.412 46.006 16.696 1.00 82.10 H new ATOM 0 HB2 ASN F 964 7.375 48.105 15.974 1.00 70.67 H new ATOM 0 HB3 ASN F 964 8.170 48.168 17.314 1.00 70.67 H new ATOM 0 HD21 ASN F 964 9.772 49.778 14.101 1.00 83.62 H new ATOM 0 HD22 ASN F 964 8.893 48.582 13.979 1.00 83.62 H new ATOM 3238 N ILE F 965 8.287 44.892 14.502 1.00 75.21 N ATOM 3239 CA ILE F 965 7.842 44.297 13.245 1.00 62.00 C ATOM 3240 C ILE F 965 6.808 43.215 13.567 1.00 59.22 C ATOM 3241 O ILE F 965 7.044 42.375 14.435 1.00 72.10 O ATOM 3242 CB ILE F 965 9.019 43.698 12.446 1.00 57.11 C ATOM 3243 CG1 ILE F 965 9.777 44.795 11.692 1.00 45.50 C ATOM 3244 CG2 ILE F 965 8.529 42.637 11.473 1.00 61.08 C ATOM 3245 CD1 ILE F 965 10.922 44.274 10.849 1.00 63.62 C ATOM 0 H ILE F 965 8.406 44.318 15.131 1.00 75.21 H new ATOM 0 HA ILE F 965 7.448 44.987 12.689 1.00 62.00 H new ATOM 0 HB ILE F 965 9.625 43.280 13.077 1.00 57.11 H new ATOM 0 HG12 ILE F 965 9.155 45.272 11.120 1.00 45.50 H new ATOM 0 HG13 ILE F 965 10.123 45.437 12.332 1.00 45.50 H new ATOM 0 HG21 ILE F 965 9.283 42.275 10.982 1.00 61.08 H new ATOM 0 HG22 ILE F 965 8.091 41.925 11.964 1.00 61.08 H new ATOM 0 HG23 ILE F 965 7.900 43.034 10.851 1.00 61.08 H new ATOM 0 HD11 ILE F 965 11.358 45.016 10.401 1.00 63.62 H new ATOM 0 HD12 ILE F 965 11.563 43.820 11.418 1.00 63.62 H new ATOM 0 HD13 ILE F 965 10.580 43.652 10.187 1.00 63.62 H new ATOM 3246 N LYS F 966 5.659 43.255 12.895 1.00 40.71 N ATOM 3247 CA LYS F 966 4.581 42.296 13.148 1.00 63.76 C ATOM 3248 C LYS F 966 5.066 40.854 12.956 1.00 50.78 C ATOM 3249 O LYS F 966 5.785 40.561 12.003 1.00 47.13 O ATOM 3250 CB LYS F 966 3.376 42.598 12.242 1.00 58.56 C ATOM 3251 CG LYS F 966 2.381 43.596 12.852 1.00 62.26 C ATOM 3252 CD LYS F 966 1.478 44.256 11.813 1.00 60.37 C ATOM 3253 CE LYS F 966 2.157 45.455 11.173 1.00 73.49 C ATOM 3254 NZ LYS F 966 1.227 46.226 10.304 1.00 63.78 N ATOM 0 H LYS F 966 5.482 43.834 12.284 1.00 40.71 H new ATOM 0 HA LYS F 966 4.301 42.389 14.072 1.00 63.76 H new ATOM 0 HB2 LYS F 966 3.697 42.949 11.397 1.00 58.56 H new ATOM 0 HB3 LYS F 966 2.912 41.769 12.047 1.00 58.56 H new ATOM 0 HG2 LYS F 966 1.830 43.137 13.505 1.00 62.26 H new ATOM 0 HG3 LYS F 966 2.872 44.283 13.328 1.00 62.26 H new ATOM 0 HD2 LYS F 966 1.244 43.610 11.128 1.00 60.37 H new ATOM 0 HD3 LYS F 966 0.650 44.537 12.233 1.00 60.37 H new ATOM 0 HE2 LYS F 966 2.506 46.036 11.867 1.00 73.49 H new ATOM 0 HE3 LYS F 966 2.915 45.154 10.647 1.00 73.49 H new ATOM 0 HZ1 LYS F 966 1.692 46.798 9.805 1.00 63.78 H new ATOM 0 HZ2 LYS F 966 0.781 45.666 9.775 1.00 63.78 H new ATOM 0 HZ3 LYS F 966 0.651 46.676 10.811 1.00 63.78 H new ATOM 3255 N ARG F 967 4.690 39.963 13.872 1.00 54.17 N ATOM 3256 CA ARG F 967 5.220 38.595 13.876 1.00 35.68 C ATOM 3257 C ARG F 967 4.959 37.825 12.587 1.00 36.51 C ATOM 3258 O ARG F 967 5.779 37.002 12.172 1.00 41.17 O ATOM 3259 CB ARG F 967 4.634 37.802 15.039 1.00 40.15 C ATOM 3260 CG ARG F 967 4.827 38.445 16.387 1.00 61.74 C ATOM 3261 CD ARG F 967 6.290 38.578 16.767 1.00 88.60 C ATOM 3262 NE ARG F 967 6.381 39.078 18.134 1.00106.54 N ATOM 3263 CZ ARG F 967 6.383 40.363 18.479 1.00106.56 C ATOM 3264 NH1 ARG F 967 6.328 41.316 17.559 1.00 93.34 N ATOM 3265 NH2 ARG F 967 6.450 40.689 19.762 1.00111.94 N ATOM 0 H ARG F 967 4.128 40.129 14.502 1.00 54.17 H new ATOM 0 HA ARG F 967 6.181 38.692 13.966 1.00 35.68 H new ATOM 0 HB2 ARG F 967 3.685 37.676 14.885 1.00 40.15 H new ATOM 0 HB3 ARG F 967 5.038 36.920 15.052 1.00 40.15 H new ATOM 0 HG2 ARG F 967 4.416 39.324 16.384 1.00 61.74 H new ATOM 0 HG3 ARG F 967 4.368 37.919 17.061 1.00 61.74 H new ATOM 0 HD2 ARG F 967 6.735 37.719 16.694 1.00 88.60 H new ATOM 0 HD3 ARG F 967 6.741 39.184 16.158 1.00 88.60 H new ATOM 0 HE ARG F 967 6.438 38.497 18.766 1.00106.54 H new ATOM 0 HH11 ARG F 967 6.290 41.107 16.726 1.00 93.34 H new ATOM 0 HH12 ARG F 967 6.330 42.143 17.796 1.00 93.34 H new ATOM 0 HH21 ARG F 967 6.492 40.073 20.361 1.00111.94 H new ATOM 0 HH22 ARG F 967 6.452 41.517 19.996 1.00111.94 H new ATOM 3266 N GLY F 968 3.808 38.088 11.974 1.00 36.17 N ATOM 3267 CA GLY F 968 3.393 37.404 10.762 1.00 33.49 C ATOM 3268 C GLY F 968 4.427 37.485 9.659 1.00 45.28 C ATOM 3269 O GLY F 968 5.013 36.471 9.282 1.00 41.91 O ATOM 0 H GLY F 968 3.244 38.674 12.255 1.00 36.17 H new ATOM 0 HA2 GLY F 968 3.216 36.472 10.966 1.00 33.49 H new ATOM 0 HA3 GLY F 968 2.560 37.789 10.448 1.00 33.49 H new ATOM 3270 N PRO F 969 4.658 38.696 9.133 1.00 43.48 N ATOM 3271 CA PRO F 969 5.715 38.902 8.139 1.00 43.45 C ATOM 3272 C PRO F 969 7.105 38.592 8.691 1.00 34.50 C ATOM 3273 O PRO F 969 7.978 38.179 7.932 1.00 42.24 O ATOM 3274 CB PRO F 969 5.581 40.387 7.785 1.00 44.19 C ATOM 3275 CG PRO F 969 4.814 40.994 8.911 1.00 45.34 C ATOM 3276 CD PRO F 969 3.889 39.926 9.383 1.00 40.37 C ATOM 0 HA PRO F 969 5.619 38.311 7.375 1.00 43.45 H new ATOM 0 HB2 PRO F 969 6.452 40.804 7.690 1.00 44.19 H new ATOM 0 HB3 PRO F 969 5.117 40.505 6.942 1.00 44.19 H new ATOM 0 HG2 PRO F 969 5.407 41.282 9.622 1.00 45.34 H new ATOM 0 HG3 PRO F 969 4.323 41.777 8.617 1.00 45.34 H new ATOM 0 HD2 PRO F 969 3.670 40.029 10.322 1.00 40.37 H new ATOM 0 HD3 PRO F 969 3.051 39.933 8.894 1.00 40.37 H new ATOM 3277 N ALA F 970 7.300 38.788 9.991 1.00 38.01 N ATOM 3278 CA ALA F 970 8.580 38.493 10.629 1.00 40.04 C ATOM 3279 C ALA F 970 8.907 37.003 10.540 1.00 43.33 C ATOM 3280 O ALA F 970 10.058 36.622 10.327 1.00 37.39 O ATOM 3281 CB ALA F 970 8.567 38.946 12.080 1.00 46.11 C ATOM 0 H ALA F 970 6.699 39.093 10.525 1.00 38.01 H new ATOM 0 HA ALA F 970 9.271 38.982 10.156 1.00 40.04 H new ATOM 0 HB1 ALA F 970 9.422 38.744 12.490 1.00 46.11 H new ATOM 0 HB2 ALA F 970 8.408 39.902 12.119 1.00 46.11 H new ATOM 0 HB3 ALA F 970 7.862 38.482 12.558 1.00 46.11 H new ATOM 3282 N LEU F 971 7.886 36.168 10.703 1.00 48.60 N ATOM 3283 CA LEU F 971 8.046 34.722 10.590 1.00 46.97 C ATOM 3284 C LEU F 971 8.393 34.309 9.166 1.00 41.48 C ATOM 3285 O LEU F 971 9.239 33.442 8.946 1.00 37.62 O ATOM 3286 CB LEU F 971 6.769 34.006 11.036 1.00 34.98 C ATOM 3287 CG LEU F 971 6.515 33.876 12.537 1.00 31.55 C ATOM 3288 CD1 LEU F 971 5.038 33.653 12.788 1.00 38.30 C ATOM 3289 CD2 LEU F 971 7.329 32.732 13.112 1.00 36.41 C ATOM 0 H LEU F 971 7.084 36.422 10.882 1.00 48.60 H new ATOM 0 HA LEU F 971 8.779 34.464 11.170 1.00 46.97 H new ATOM 0 HB2 LEU F 971 6.013 34.472 10.645 1.00 34.98 H new ATOM 0 HB3 LEU F 971 6.779 33.113 10.657 1.00 34.98 H new ATOM 0 HG LEU F 971 6.789 34.696 12.977 1.00 31.55 H new ATOM 0 HD11 LEU F 971 4.880 33.571 13.742 1.00 38.30 H new ATOM 0 HD12 LEU F 971 4.533 34.405 12.441 1.00 38.30 H new ATOM 0 HD13 LEU F 971 4.753 32.840 12.342 1.00 38.30 H new ATOM 0 HD21 LEU F 971 7.159 32.660 14.064 1.00 36.41 H new ATOM 0 HD22 LEU F 971 7.076 31.903 12.676 1.00 36.41 H new ATOM 0 HD23 LEU F 971 8.273 32.900 12.964 1.00 36.41 H new ATOM 3290 N LYS F 972 7.727 34.935 8.202 1.00 47.66 N ATOM 3291 CA LYS F 972 7.907 34.593 6.799 1.00 49.78 C ATOM 3292 C LYS F 972 9.265 35.056 6.278 1.00 47.33 C ATOM 3293 O LYS F 972 9.886 34.378 5.459 1.00 40.72 O ATOM 3294 CB LYS F 972 6.773 35.190 5.962 1.00 44.13 C ATOM 3295 CG LYS F 972 5.418 34.544 6.232 1.00 42.05 C ATOM 3296 CD LYS F 972 4.297 35.199 5.437 1.00 49.01 C ATOM 3297 CE LYS F 972 3.954 36.576 5.982 1.00 35.21 C ATOM 3298 NZ LYS F 972 2.808 37.193 5.256 1.00 38.83 N1+ ATOM 0 H LYS F 972 7.161 35.567 8.343 1.00 47.66 H new ATOM 0 HA LYS F 972 7.881 33.627 6.720 1.00 49.78 H new ATOM 0 HB2 LYS F 972 6.712 36.141 6.143 1.00 44.13 H new ATOM 0 HB3 LYS F 972 6.989 35.093 5.021 1.00 44.13 H new ATOM 0 HG2 LYS F 972 5.461 33.601 6.009 1.00 42.05 H new ATOM 0 HG3 LYS F 972 5.217 34.603 7.179 1.00 42.05 H new ATOM 0 HD2 LYS F 972 4.561 35.275 4.507 1.00 49.01 H new ATOM 0 HD3 LYS F 972 3.509 34.635 5.463 1.00 49.01 H new ATOM 0 HE2 LYS F 972 3.738 36.505 6.925 1.00 35.21 H new ATOM 0 HE3 LYS F 972 4.730 37.154 5.911 1.00 35.21 H new ATOM 0 HZ1 LYS F 972 2.414 37.795 5.780 1.00 38.83 H new ATOM 0 HZ2 LYS F 972 3.104 37.592 4.518 1.00 38.83 H new ATOM 0 HZ3 LYS F 972 2.221 36.561 5.036 1.00 38.83 H new ATOM 3299 N ILE F 973 9.726 36.207 6.757 1.00 43.34 N ATOM 3300 CA ILE F 973 11.050 36.701 6.398 1.00 34.01 C ATOM 3301 C ILE F 973 12.117 35.771 6.964 1.00 38.99 C ATOM 3302 O ILE F 973 13.108 35.470 6.301 1.00 48.44 O ATOM 3303 CB ILE F 973 11.279 38.141 6.905 1.00 30.34 C ATOM 3304 CG1 ILE F 973 10.370 39.118 6.155 1.00 24.17 C ATOM 3305 CG2 ILE F 973 12.731 38.553 6.723 1.00 31.72 C ATOM 3306 CD1 ILE F 973 10.502 40.554 6.609 1.00 33.00 C ATOM 0 H ILE F 973 9.287 36.717 7.292 1.00 43.34 H new ATOM 0 HA ILE F 973 11.111 36.717 5.430 1.00 34.01 H new ATOM 0 HB ILE F 973 11.064 38.165 7.851 1.00 30.34 H new ATOM 0 HG12 ILE F 973 10.570 39.069 5.207 1.00 24.17 H new ATOM 0 HG13 ILE F 973 9.448 38.837 6.265 1.00 24.17 H new ATOM 0 HG21 ILE F 973 12.854 39.459 7.047 1.00 31.72 H new ATOM 0 HG22 ILE F 973 13.304 37.951 7.223 1.00 31.72 H new ATOM 0 HG23 ILE F 973 12.964 38.512 5.782 1.00 31.72 H new ATOM 0 HD11 ILE F 973 9.900 41.113 6.093 1.00 33.00 H new ATOM 0 HD12 ILE F 973 10.276 40.618 7.550 1.00 33.00 H new ATOM 0 HD13 ILE F 973 11.415 40.853 6.475 1.00 33.00 H new HETATM 3307 N CME F 974 11.891 35.303 8.188 1.00 41.87 N HETATM 3308 CA CME F 974 12.816 34.412 8.860 1.00 42.26 C HETATM 3309 CB CME F 974 12.412 34.036 10.292 1.00 46.62 C HETATM 3310 SG CME F 974 13.638 33.182 11.215 1.00 64.58 S HETATM 3311 SD CME F 974 15.217 34.546 11.495 1.00 66.28 S HETATM 3312 CE CME F 974 16.720 33.639 11.387 1.00 47.18 C HETATM 3313 CZ CME F 974 17.304 33.636 9.992 1.00 56.75 C HETATM 3314 OH CME F 974 18.229 32.560 9.948 1.00 70.48 O HETATM 3315 C CME F 974 12.970 33.119 8.068 1.00 40.89 C HETATM 3316 O CME F 974 14.052 32.574 7.845 1.00 33.14 O HETATM 0 HZ3 CME F 974 16.608 33.521 9.326 1.00 56.75 H new HETATM 0 HZ2 CME F 974 17.744 34.479 9.800 1.00 56.75 H new HETATM 0 HH CME F 974 17.826 31.852 9.744 1.00 70.48 H new HETATM 0 HE3 CME F 974 17.366 34.018 12.003 1.00 47.18 H new HETATM 0 HE2 CME F 974 16.562 32.724 11.669 1.00 47.18 H new HETATM 0 HB3 CME F 974 12.175 34.846 10.769 1.00 46.62 H new HETATM 0 HB2 CME F 974 11.614 33.485 10.254 1.00 46.62 H new HETATM 0 HA CME F 974 13.647 34.909 8.912 1.00 42.26 H new HETATM 0 H CME F 974 11.184 35.576 8.595 1.00 41.87 H new ATOM 3317 N ALA F 975 11.826 32.612 7.623 1.00 41.18 N ATOM 3318 CA ALA F 975 11.783 31.359 6.881 1.00 34.03 C ATOM 3319 C ALA F 975 12.481 31.479 5.530 1.00 46.44 C ATOM 3320 O ALA F 975 13.171 30.557 5.096 1.00 52.18 O ATOM 3321 CB ALA F 975 10.345 30.909 6.692 1.00 33.06 C ATOM 0 H ALA F 975 11.059 32.981 7.742 1.00 41.18 H new ATOM 0 HA ALA F 975 12.260 30.693 7.400 1.00 34.03 H new ATOM 0 HB1 ALA F 975 10.329 30.075 6.197 1.00 33.06 H new ATOM 0 HB2 ALA F 975 9.930 30.778 7.559 1.00 33.06 H new ATOM 0 HB3 ALA F 975 9.856 31.586 6.199 1.00 33.06 H new ATOM 3322 N ARG F 976 12.302 32.618 4.869 1.00 37.52 N ATOM 3323 CA ARG F 976 12.874 32.814 3.543 1.00 43.88 C ATOM 3324 C ARG F 976 14.383 33.027 3.624 1.00 51.20 C ATOM 3325 O ARG F 976 15.115 32.681 2.698 1.00 56.34 O ATOM 3326 CB ARG F 976 12.206 33.993 2.835 1.00 47.13 C ATOM 3327 CG ARG F 976 12.140 33.829 1.324 1.00 49.76 C ATOM 3328 CD ARG F 976 11.679 32.422 0.965 1.00 59.34 C ATOM 3329 NE ARG F 976 11.356 32.272 -0.451 1.00 90.83 N ATOM 3330 CZ ARG F 976 11.074 31.109 -1.030 1.00 99.79 C ATOM 3331 NH1 ARG F 976 11.084 29.994 -0.311 1.00101.57 N1+ ATOM 3332 NH2 ARG F 976 10.788 31.059 -2.325 1.00 80.50 N ATOM 0 H ARG F 976 11.854 33.288 5.170 1.00 37.52 H new ATOM 0 HA ARG F 976 12.709 32.010 3.025 1.00 43.88 H new ATOM 0 HB2 ARG F 976 11.307 34.103 3.182 1.00 47.13 H new ATOM 0 HB3 ARG F 976 12.692 34.806 3.045 1.00 47.13 H new ATOM 0 HG2 ARG F 976 11.529 34.482 0.948 1.00 49.76 H new ATOM 0 HG3 ARG F 976 13.012 33.999 0.935 1.00 49.76 H new ATOM 0 HD2 ARG F 976 12.375 31.789 1.202 1.00 59.34 H new ATOM 0 HD3 ARG F 976 10.898 32.198 1.495 1.00 59.34 H new ATOM 0 HE ARG F 976 11.348 32.979 -0.940 1.00 90.83 H new ATOM 0 HH11 ARG F 976 11.273 30.025 0.528 1.00101.57 H new ATOM 0 HH12 ARG F 976 10.902 29.241 -0.683 1.00101.57 H new ATOM 0 HH21 ARG F 976 10.785 31.781 -2.793 1.00 80.50 H new ATOM 0 HH22 ARG F 976 10.606 30.305 -2.696 1.00 80.50 H new ATOM 3333 N ILE F 977 14.842 33.599 4.733 1.00 50.65 N ATOM 3334 CA ILE F 977 16.271 33.739 4.979 1.00 42.83 C ATOM 3335 C ILE F 977 16.860 32.362 5.272 1.00 40.02 C ATOM 3336 O ILE F 977 17.961 32.041 4.827 1.00 56.54 O ATOM 3337 CB ILE F 977 16.559 34.706 6.146 1.00 39.02 C ATOM 3338 CG1 ILE F 977 16.134 36.127 5.772 1.00 43.60 C ATOM 3339 CG2 ILE F 977 18.034 34.692 6.512 1.00 34.04 C ATOM 3340 CD1 ILE F 977 16.363 37.144 6.867 1.00 48.27 C ATOM 0 H ILE F 977 14.340 33.913 5.357 1.00 50.65 H new ATOM 0 HA ILE F 977 16.686 34.116 4.187 1.00 42.83 H new ATOM 0 HB ILE F 977 16.047 34.410 6.915 1.00 39.02 H new ATOM 0 HG12 ILE F 977 16.621 36.403 4.980 1.00 43.60 H new ATOM 0 HG13 ILE F 977 15.192 36.123 5.539 1.00 43.60 H new ATOM 0 HG21 ILE F 977 18.191 35.306 7.246 1.00 34.04 H new ATOM 0 HG22 ILE F 977 18.293 33.796 6.779 1.00 34.04 H new ATOM 0 HG23 ILE F 977 18.561 34.965 5.745 1.00 34.04 H new ATOM 0 HD11 ILE F 977 16.073 38.018 6.563 1.00 48.27 H new ATOM 0 HD12 ILE F 977 15.856 36.891 7.655 1.00 48.27 H new ATOM 0 HD13 ILE F 977 17.307 37.176 7.087 1.00 48.27 H new ATOM 3341 N ASN F 978 16.109 31.544 6.003 1.00 39.00 N ATOM 3342 CA ASN F 978 16.519 30.174 6.290 1.00 36.01 C ATOM 3343 C ASN F 978 16.627 29.326 5.027 1.00 48.93 C ATOM 3344 O ASN F 978 17.565 28.543 4.877 1.00 56.85 O ATOM 3345 CB ASN F 978 15.544 29.519 7.269 1.00 40.85 C ATOM 3346 CG ASN F 978 15.703 30.039 8.683 1.00 58.59 C ATOM 3347 OD1 ASN F 978 16.777 30.501 9.069 1.00 63.79 O ATOM 3348 ND2 ASN F 978 14.633 29.960 9.467 1.00 66.86 N ATOM 0 H ASN F 978 15.352 31.766 6.345 1.00 39.00 H new ATOM 0 HA ASN F 978 17.401 30.221 6.690 1.00 36.01 H new ATOM 0 HB2 ASN F 978 14.635 29.677 6.970 1.00 40.85 H new ATOM 0 HB3 ASN F 978 15.681 28.559 7.264 1.00 40.85 H new ATOM 0 HD21 ASN F 978 14.674 30.238 10.280 1.00 66.86 H new ATOM 0 HD22 ASN F 978 13.900 29.631 9.162 1.00 66.86 H new ATOM 3349 N SER F 979 15.662 29.479 4.126 1.00 51.30 N ATOM 3350 CA SER F 979 15.679 28.755 2.858 1.00 55.40 C ATOM 3351 C SER F 979 16.798 29.279 1.968 1.00 56.88 C ATOM 3352 O SER F 979 17.359 28.545 1.154 1.00 71.29 O ATOM 3353 CB SER F 979 14.331 28.877 2.140 1.00 56.72 C ATOM 3354 OG SER F 979 14.130 30.187 1.637 1.00 54.38 O ATOM 0 H SER F 979 14.985 30.000 4.230 1.00 51.30 H new ATOM 0 HA SER F 979 15.839 27.817 3.046 1.00 55.40 H new ATOM 0 HB2 SER F 979 14.292 28.239 1.410 1.00 56.72 H new ATOM 0 HB3 SER F 979 13.614 28.651 2.753 1.00 56.72 H new ATOM 0 HG SER F 979 14.534 30.739 2.124 1.00 54.38 H new ATOM 3355 N LEU F 980 17.118 30.558 2.137 1.00 62.57 N ATOM 3356 CA LEU F 980 18.183 31.198 1.378 1.00 50.80 C ATOM 3357 C LEU F 980 19.546 30.666 1.810 1.00 57.77 C ATOM 3358 O LEU F 980 20.517 30.733 1.056 1.00 69.49 O ATOM 3359 CB LEU F 980 18.127 32.716 1.560 1.00 44.34 C ATOM 3360 CG LEU F 980 18.622 33.593 0.409 1.00 53.39 C ATOM 3361 CD1 LEU F 980 17.703 33.455 -0.796 1.00 63.42 C ATOM 3362 CD2 LEU F 980 18.714 35.043 0.854 1.00 52.26 C ATOM 0 H LEU F 980 16.723 31.078 2.696 1.00 62.57 H new ATOM 0 HA LEU F 980 18.056 30.991 0.439 1.00 50.80 H new ATOM 0 HB2 LEU F 980 17.207 32.960 1.745 1.00 44.34 H new ATOM 0 HB3 LEU F 980 18.644 32.940 2.349 1.00 44.34 H new ATOM 0 HG LEU F 980 19.508 33.296 0.150 1.00 53.39 H new ATOM 0 HD11 LEU F 980 18.028 34.016 -1.517 1.00 63.42 H new ATOM 0 HD12 LEU F 980 17.688 32.530 -1.088 1.00 63.42 H new ATOM 0 HD13 LEU F 980 16.806 33.731 -0.552 1.00 63.42 H new ATOM 0 HD21 LEU F 980 19.029 35.589 0.116 1.00 52.26 H new ATOM 0 HD22 LEU F 980 17.838 35.352 1.134 1.00 52.26 H new ATOM 0 HD23 LEU F 980 19.334 35.115 1.596 1.00 52.26 H new ATOM 3363 N LYS F 981 19.606 30.132 3.027 1.00 54.06 N ATOM 3364 CA LYS F 981 20.854 29.631 3.596 1.00 50.15 C ATOM 3365 C LYS F 981 21.080 28.147 3.313 1.00 60.05 C ATOM 3366 O LYS F 981 22.032 27.553 3.817 1.00 90.59 O ATOM 3367 CB LYS F 981 20.883 29.865 5.109 1.00 53.68 C ATOM 3368 CG LYS F 981 20.988 31.320 5.524 1.00 46.03 C ATOM 3369 CD LYS F 981 20.919 31.462 7.037 1.00 41.68 C ATOM 3370 CE LYS F 981 21.076 32.912 7.466 1.00 38.74 C ATOM 3371 NZ LYS F 981 20.971 33.044 8.946 1.00 43.08 N1+ ATOM 0 H LYS F 981 18.925 30.050 3.546 1.00 54.06 H new ATOM 0 HA LYS F 981 21.569 30.126 3.166 1.00 50.15 H new ATOM 0 HB2 LYS F 981 20.078 29.488 5.498 1.00 53.68 H new ATOM 0 HB3 LYS F 981 21.634 29.379 5.485 1.00 53.68 H new ATOM 0 HG2 LYS F 981 21.822 31.693 5.199 1.00 46.03 H new ATOM 0 HG3 LYS F 981 20.271 31.829 5.115 1.00 46.03 H new ATOM 0 HD2 LYS F 981 20.070 31.118 7.357 1.00 41.68 H new ATOM 0 HD3 LYS F 981 21.615 30.925 7.446 1.00 41.68 H new ATOM 0 HE2 LYS F 981 21.935 33.250 7.168 1.00 38.74 H new ATOM 0 HE3 LYS F 981 20.394 33.455 7.040 1.00 38.74 H new ATOM 0 HZ1 LYS F 981 21.208 33.867 9.188 1.00 43.08 H new ATOM 0 HZ2 LYS F 981 20.132 32.890 9.199 1.00 43.08 H new ATOM 0 HZ3 LYS F 981 21.511 32.454 9.336 1.00 43.08 H new ATOM 3372 N GLU F 982 20.207 27.547 2.511 1.00 61.94 N ATOM 3373 CA GLU F 982 20.323 26.125 2.201 1.00 81.77 C ATOM 3374 C GLU F 982 20.913 25.879 0.816 1.00 84.10 C ATOM 3375 O GLU F 982 20.278 26.156 -0.199 1.00 79.07 O ATOM 3376 CB GLU F 982 18.959 25.442 2.320 1.00 67.87 C ATOM 3377 CG GLU F 982 18.628 24.992 3.733 1.00 83.78 C ATOM 3378 CD GLU F 982 19.636 23.990 4.270 1.00118.31 C ATOM 3379 OE1 GLU F 982 20.111 23.142 3.482 1.00118.00 O ATOM 3380 OE2 GLU F 982 19.963 24.057 5.474 1.00109.75 O1+ ATOM 0 H GLU F 982 19.542 27.943 2.137 1.00 61.94 H new ATOM 0 HA GLU F 982 20.935 25.741 2.848 1.00 81.77 H new ATOM 0 HB2 GLU F 982 18.271 26.053 2.013 1.00 67.87 H new ATOM 0 HB3 GLU F 982 18.938 24.672 1.730 1.00 67.87 H new ATOM 0 HG2 GLU F 982 18.600 25.765 4.318 1.00 83.78 H new ATOM 0 HG3 GLU F 982 17.743 24.595 3.745 1.00 83.78 H new ATOM 3381 N SER F 983 22.136 25.356 0.791 1.00 95.77 N ATOM 3382 CA SER F 983 22.814 25.026 -0.458 1.00 95.01 C ATOM 3383 C SER F 983 23.839 23.915 -0.250 1.00 75.67 C ATOM 3384 O SER F 983 24.523 23.870 0.774 1.00 54.92 O ATOM 3385 CB SER F 983 23.494 26.264 -1.047 1.00 78.52 C ATOM 3386 OG SER F 983 22.539 27.235 -1.440 1.00 66.57 O ATOM 0 H SER F 983 22.595 25.183 1.497 1.00 95.77 H new ATOM 0 HA SER F 983 22.143 24.710 -1.083 1.00 95.01 H new ATOM 0 HB2 SER F 983 24.098 26.647 -0.392 1.00 78.52 H new ATOM 0 HB3 SER F 983 24.032 26.007 -1.812 1.00 78.52 H new ATOM 0 HG SER F 983 21.942 26.869 -1.905 1.00 66.57 H new TER 3387 SER F 983 HETATM 3388 O HOH A1001 38.126 2.185 17.719 1.00 31.10 O HETATM 3389 O HOH A1002 32.155 -8.393 22.853 1.00 39.23 O HETATM 3390 O HOH A1003 43.101 -2.823 24.682 1.00 35.23 O HETATM 3391 O HOH A1004 48.983 -3.773 20.565 1.00 44.25 O HETATM 3392 O HOH A1005 48.884 -1.917 18.870 1.00 33.78 O HETATM 3393 O HOH A1006 39.388 8.460 19.582 1.00 17.98 O HETATM 3394 O HOH A1007 41.143 -8.766 28.607 1.00 47.97 O HETATM 3395 O HOH A1008 29.480 9.485 19.037 1.00 61.02 O HETATM 3396 O HOH A1009 35.824 10.074 9.194 1.00 46.43 O HETATM 3397 O HOH A1010 43.343 1.709 25.607 1.00 35.65 O HETATM 3398 O HOH A1011 43.007 4.172 24.890 1.00 38.11 O HETATM 3399 O HOH A1012 43.901 -4.830 13.646 1.00 42.73 O HETATM 3400 O HOH A1013 36.792 -21.764 21.017 1.00 62.02 O HETATM 3401 O HOH A1014 39.581 10.582 21.354 1.00 39.02 O HETATM 3402 O HOH A1015 30.846 9.567 9.212 1.00 53.98 O HETATM 3403 O HOH A1016 25.673 -12.067 14.835 1.00 42.60 O HETATM 3404 O HOH A1017 45.308 4.388 19.269 1.00 36.31 O HETATM 3405 O HOH B1001 28.360 0.255 40.662 1.00 49.91 O HETATM 3406 O HOH B1002 46.173 3.540 30.488 1.00 34.76 O HETATM 3407 O HOH B1003 39.749 3.595 25.830 1.00 30.85 O HETATM 3408 O HOH B1004 43.921 -1.210 38.449 1.00 47.16 O HETATM 3409 O HOH B1005 32.102 6.570 50.391 1.00 40.92 O HETATM 3410 O HOH B1006 36.952 13.786 31.467 1.00 38.82 O HETATM 3411 O HOH B1007 40.057 8.855 29.814 1.00 42.77 O HETATM 3412 O HOH B1008 48.651 2.989 31.297 1.00 56.13 O HETATM 3413 O HOH B1009 36.066 10.316 42.012 1.00 35.46 O HETATM 3414 O HOH B1010 38.299 -4.185 39.642 1.00 42.43 O HETATM 3415 O HOH B1011 33.954 16.118 47.673 1.00 33.59 O HETATM 3416 O HOH B1012 41.914 3.301 44.991 1.00 32.18 O HETATM 3417 O HOH B1013 41.174 -3.988 33.089 1.00 52.91 O HETATM 3418 O HOH B1014 46.713 0.571 29.389 1.00 43.33 O HETATM 3419 O HOH B1015 34.069 18.487 48.710 1.00 41.03 O HETATM 3420 O HOH B1016 24.978 -1.177 40.501 1.00 58.30 O HETATM 3421 O HOH B1017 29.874 12.921 46.831 1.00 38.39 O HETATM 3422 O HOH B1018 36.471 16.086 33.268 1.00 45.99 O HETATM 3423 O HOH B1019 44.206 12.727 35.152 1.00 48.53 O HETATM 3424 O HOH B1020 35.187 12.111 49.933 1.00 40.06 O HETATM 3425 O HOH B1021 29.762 7.753 51.674 1.00 53.35 O HETATM 3426 O HOH B1022 33.059 10.295 50.884 1.00 49.81 O HETATM 3427 O HOH C1001 13.160 20.707 50.840 1.00 35.65 O HETATM 3428 O HOH C1002 12.473 1.123 46.566 1.00 44.17 O HETATM 3429 O HOH C1003 11.215 27.664 50.245 1.00 49.30 O HETATM 3430 O HOH C1004 13.793 14.587 33.286 1.00 59.09 O HETATM 3431 O HOH C1005 6.727 17.266 60.385 1.00 52.56 O HETATM 3432 O HOH C1006 20.831 10.989 57.546 1.00 36.23 O HETATM 3433 O HOH C1007 4.637 16.367 52.309 1.00 52.85 O HETATM 3434 O HOH C1008 7.334 19.885 60.926 1.00 42.85 O HETATM 3435 O HOH C1009 3.839 14.969 68.586 1.00 32.28 O HETATM 3436 O HOH C1010 24.532 12.751 59.156 1.00 34.30 O HETATM 3437 O HOH C1011 25.816 19.725 42.666 1.00 52.88 O HETATM 3438 O HOH C1012 2.828 17.940 54.838 1.00 56.04 O HETATM 3439 O HOH D1001 -1.202 17.294 31.007 1.00 33.33 O HETATM 3440 O HOH D1002 -6.930 27.929 35.922 1.00 32.19 O HETATM 3441 O HOH D1003 -8.568 30.302 28.040 1.00 33.28 O HETATM 3442 O HOH D1004 -11.684 23.165 29.037 1.00 31.17 O HETATM 3443 O HOH D1005 -17.590 24.955 35.413 1.00 28.66 O HETATM 3444 O HOH D1006 -14.316 29.747 34.707 1.00 29.14 O HETATM 3445 O HOH D1007 -17.540 22.446 33.564 1.00 25.85 O HETATM 3446 O HOH D1008 -9.086 22.297 22.508 1.00 34.50 O HETATM 3447 O HOH D1009 -11.722 28.169 28.324 1.00 41.10 O HETATM 3448 O HOH D1010 -5.962 36.424 32.662 1.00 36.53 O HETATM 3449 O HOH D1011 5.609 13.718 38.944 1.00 41.82 O HETATM 3450 O HOH D1012 -9.827 16.946 25.201 1.00 43.25 O HETATM 3451 O HOH D1013 -16.425 29.882 33.206 1.00 42.60 O HETATM 3452 O HOH D1014 -9.911 11.211 31.627 1.00 54.86 O HETATM 3453 O HOH E1001 -4.586 36.067 11.740 1.00 42.09 O HETATM 3454 O HOH E1002 3.058 26.087 13.119 1.00 44.89 O HETATM 3455 O HOH E1003 -12.577 38.407 18.678 1.00 43.05 O HETATM 3456 O HOH E1004 -12.499 24.845 15.241 1.00 53.59 O HETATM 3457 O HOH E1005 -10.059 21.581 20.528 1.00 44.92 O HETATM 3458 O HOH E1006 -8.818 34.577 24.034 1.00 40.20 O HETATM 3459 O HOH E1007 -7.069 39.793 22.827 1.00 46.02 O HETATM 3460 O HOH E1008 -3.860 38.025 3.855 1.00 49.90 O HETATM 3461 O HOH E1009 1.290 38.850 6.931 1.00 38.62 O HETATM 3462 O HOH E1010 -7.067 21.425 13.966 1.00 40.04 O HETATM 3463 O HOH E1011 -6.872 38.834 5.273 1.00 41.36 O HETATM 3464 O HOH E1012 4.847 21.221 18.990 1.00 40.96 O HETATM 3465 O HOH E1013 3.770 20.749 21.229 1.00 43.41 O HETATM 3466 O HOH E1014 -14.921 29.141 23.366 1.00 33.05 O HETATM 3467 O HOH E1015 -17.706 28.553 22.789 1.00 49.60 O HETATM 3468 O HOH E1016 -14.558 29.822 20.315 1.00 52.77 O HETATM 3469 O HOH E1017 6.624 24.871 13.013 1.00 40.84 O HETATM 3470 O HOH E1018 -4.517 40.297 3.897 1.00 41.95 O HETATM 3471 O HOH E1019 -1.281 12.518 10.145 1.00 50.83 O HETATM 3472 O HOH E1020 -1.647 23.192 2.796 1.00 45.01 O HETATM 3473 O HOH E1021 -12.633 41.456 15.961 1.00 53.28 O HETATM 3474 O HOH E1022 -0.231 41.008 5.400 1.00 41.81 O HETATM 3475 O HOH E1023 9.325 28.506 11.905 1.00 35.56 O HETATM 3476 O HOH E1024 -15.638 26.027 24.426 1.00 37.40 O HETATM 3477 O HOH E1025 -15.135 23.505 25.975 1.00 53.37 O HETATM 3478 O HOH F1001 26.552 42.257 1.204 1.00 53.72 O HETATM 3479 O HOH F1002 22.385 50.002 -2.358 1.00 43.13 O HETATM 3480 O HOH F1003 5.421 45.420 10.956 1.00 47.29 O HETATM 3481 O HOH F1004 12.817 28.252 5.254 1.00 35.60 O HETATM 3482 O HOH F1005 25.825 53.853 8.835 1.00 54.61 O HETATM 3483 O HOH F1006 10.252 36.609 -3.755 1.00 36.51 O HETATM 3484 O HOH F1007 17.925 46.927 2.991 1.00 44.46 O HETATM 3485 O HOH F1008 19.734 28.022 -1.432 1.00 37.62 O HETATM 3486 O HOH F1009 19.944 35.739 9.108 1.00 46.24 O HETATM 3487 O HOH F1010 28.423 43.935 -0.999 1.00 52.30 O HETATM 3488 O HOH F1011 23.966 33.684 -8.153 1.00 48.01 O HETATM 3489 O HOH F1012 24.687 54.361 11.556 1.00 44.36 O HETATM 3490 O HOH F1013 12.789 28.191 8.467 1.00 51.79 O HETATM 3491 O HOH F1014 24.196 43.803 -6.546 1.00 51.52 O HETATM 3492 O HOH F1015 23.926 35.556 13.208 1.00 44.49 O HETATM 3493 O HOH F1016 16.840 45.736 19.611 1.00 41.40 O HETATM 3494 O HOH F1017 12.283 33.374 18.545 1.00 46.59 O CONECT 468 474 CONECT 474 468 475 CONECT 475 474 476 482 CONECT 476 475 477 CONECT 477 476 478 CONECT 478 477 479 CONECT 479 478 480 CONECT 480 479 481 CONECT 481 480 CONECT 482 475 483 484 CONECT 483 482 CONECT 484 482 CONECT 1044 1050 CONECT 1050 1044 1051 CONECT 1051 1050 1052 1058 CONECT 1052 1051 1053 CONECT 1053 1052 1054 CONECT 1054 1053 1055 CONECT 1055 1054 1056 CONECT 1056 1055 1057 CONECT 1057 1056 CONECT 1058 1051 1059 1060 CONECT 1059 1058 CONECT 1060 1058 CONECT 1616 1622 CONECT 1622 1616 1623 CONECT 1623 1622 1624 1630 CONECT 1624 1623 1625 CONECT 1625 1624 1626 CONECT 1626 1625 1627 CONECT 1627 1626 1628 CONECT 1628 1627 1629 CONECT 1629 1628 CONECT 1630 1623 1631 1632 CONECT 1631 1630 CONECT 1632 1630 CONECT 2164 2170 CONECT 2170 2164 2171 CONECT 2171 2170 2172 2178 CONECT 2172 2171 2173 CONECT 2173 2172 2174 CONECT 2174 2173 2175 CONECT 2175 2174 2176 CONECT 2176 2175 2177 CONECT 2177 2176 CONECT 2178 2171 2179 2180 CONECT 2179 2178 CONECT 2180 2178 CONECT 2736 2742 CONECT 2742 2736 2743 CONECT 2743 2742 2744 2750 CONECT 2744 2743 2745 CONECT 2745 2744 2746 CONECT 2746 2745 2747 CONECT 2747 2746 2748 CONECT 2748 2747 2749 CONECT 2749 2748 CONECT 2750 2743 2751 2752 CONECT 2751 2750 CONECT 2752 2750 CONECT 3301 3307 CONECT 3307 3301 3308 CONECT 3308 3307 3309 3315 CONECT 3309 3308 3310 CONECT 3310 3309 3311 CONECT 3311 3310 3312 CONECT 3312 3311 3313 CONECT 3313 3312 3314 CONECT 3314 3313 CONECT 3315 3308 3316 3317 CONECT 3316 3315 CONECT 3317 3315 END