USER MOD reduce.3.24.130724 H: found=0, std=0, add=1196, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1192 hydrogens (0 hets) HEADER CYTOKINE 08-MAR-90 1IL8 TITLE THREE-DIMENSIONAL STRUCTURE OF INTERLEUKIN 8 IN SOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTERLEUKIN-8; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: POTENTIAL KEYWDS CYTOKINE EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,A.M.GRONENBORN REVDAT 2 24-FEB-09 1IL8 1 VERSN REVDAT 1 15-JAN-91 1IL8 0 JRNL AUTH G.M.CLORE,E.APPELLA,M.YAMADA,K.MATSUSHIMA, JRNL AUTH 2 A.M.GRONENBORN JRNL TITL THREE-DIMENSIONAL STRUCTURE OF INTERLEUKIN 8 IN JRNL TITL 2 SOLUTION. JRNL REF BIOCHEMISTRY V. 29 1689 1990 JRNL REFN ISSN 0006-2960 JRNL PMID 2184886 JRNL DOI 10.1021/BI00459A004 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH G.M.CLORE,E.APPELLA,M.YAMADA,K.MATSUSHIMA, REMARK 1 AUTH 2 A.M.GRONENBORN REMARK 1 TITL DETERMINATION OF THE SECONDARY STRUCTURE OF REMARK 1 TITL 2 INTERLEUKIN-8 BY NUCLEAR MAGNETIC RESONANCE REMARK 1 TITL 3 SPECTROSCOPY REMARK 1 REF J.BIOL.CHEM. V. 264 18907 1989 REMARK 1 REFN ISSN 0021-9258 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISGEO, X-PLOR REMARK 3 AUTHORS : HAVEL (DISGEO), BRUNGER (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 STRUCTURE DETERMINATION. THE METHOD USED TO DETERMINE AND REMARK 3 REFINE THE STRUCTURE IS THE HYBRID DISTANCE REMARK 3 GEOMETRY-SIMULATED ANNEALING METHOD (M. NILGES, REMARK 3 G.M. CLORE, A.M. GRONENBORN, FEBS LETT. 229, 317, (1988)) REMARK 3 USING THE PROGRAMS *DISGEO* (T.F. HAVEL, QCPE NO. 507, REMARK 3 INDIANA UNIVERSITY) AND *XPLOR* (A.T. BRUNGER, YALE REMARK 3 UNIVERSITY, NEW HAVEN, CT 06511). REMARK 3 REMARK 3 STRUCTURAL STATISTICS - REMARK 3 REMARK 3 RMS DEVIATION FROM EXPERIMENTAL RESTRAINTS *(1)* REMARK 3 REMARK 3 RESTRAINT TYPE NUMBER OF RESTRAINTS RMS (ANGSTROMS) REMARK 3 REMARK 3 ALL 1880 0.029 REMARK 3 INTRASUBUNIT REMARK 3 SHORT RANGE 784 0.020 REMARK 3 INTERRESIDUE REMARK 3 LONG RANGE 370 0.026 REMARK 3 INTRARESIDUE 540 0.042 REMARK 3 HBOND *(2)* 104 0.028 REMARK 3 INTERSUBUNIT REMARK 3 INTERPROTON 70 0.014 REMARK 3 HBOND 12 0.000 REMARK 3 REMARK 3 POTENTIAL ENERGY TERMS REMARK 3 REMARK 3 TYPE ENERGY (KCAL/MOL) REMARK 3 REMARK 3 F(NOE) *(3)* 48. REMARK 3 F(TOR) *(4)* 0.98 REMARK 3 F(REPEL) *(5)* 37. REMARK 3 F(SYM) *(6)* 424. REMARK 3 REMARK 3 LENNARD-JONES VAN DER WAALS ENERGY (E(L-J)) CALCULATED REMARK 3 USING THE *CHARMM* EMPIRICAL ENERGY FUNCTION IS REMARK 3 -474 KCAL/MOL. IT IS NOT INCLUDED INTO THE TARGET REMARK 3 FUNCTION FOR SIMULATED ANNEALING. REMARK 3 REMARK 3 DEVIATIONS FROM IDEALIZED GEOMETRY *(7)* REMARK 3 REMARK 3 TYPE TOTAL NUMBER RMS DEVIATION REMARK 3 REMARK 3 BONDS 2392 0.011 (ANGSTROMS) REMARK 3 ANGLES 4362 2.458 (DEGREES) REMARK 3 IMPROPERS 882 0.485 (DEGREES) REMARK 3 REMARK 3 NOTES. REMARK 3 *(1)* THE RMS DEVIATION FROM THE EXPERIMENTAL RESTRAINTS REMARK 3 IS CALCULATED WITH RESPECT TO THE UPPER AND REMARK 3 LOWER LIMITS OF THE DISTANCE RESTRAINTS. NONE OF REMARK 3 THE STRUCTURES EXHIBITED VIOLATIONS GREATER THAN REMARK 3 0.3 ANGSTROMS. REMARK 3 *(2)* FOR EACH BACKBONE HYDROGEN BOND THERE ARE TWO REMARK 3 RESTRAINTS - R(NH-O) 1.7 TO 2.3 ANGSTROMS AND REMARK 3 R(N-O) 2.4 TO 3.3 ANGSTROMS. REMARK 3 *(3)* THE VALUES OF THE SQUARE-WELL NOE POTENTIAL REMARK 3 50 KCAL/MOL/ANGSTROM**2. REMARK 3 *(4)* THE VALUES OF F(PHI) ARE CALCULATED WITH A FORCE REMARK 3 CONSTANT OF 200 KCAL/MOL/RAD**2. F(PHI) IS A REMARK 3 SQUARE-WELL DIHEDRAL POTENTIAL WHICH IS USED TO REMARK 3 RESTRICT THE RANGES OF TORSION ANGLES. REMARK 3 *(5)* THE VALUE OF THE VAN DER WAALS REPULSION TERM REMARK 3 F(REPEL) IS CALCULATED WITH A FORCE CONSTANT OF REMARK 3 4 KCAL/MOL/ANGSTROM**4 WITH THE HARD SPHERE REMARK 3 VAN DER WAALS RADII SET TO 0.8 TIMES THE STANDARD REMARK 3 VALUES USED IN THE *CHARMM* EMPIRICAL ENERGY REMARK 3 FUNCTION. REMARK 3 *(6)* F(SYM) IS AN EFFECTIVE HARMONIC POTENTIAL USED TO REMARK 3 MAINTAIN SYMMETRY BETWEEN THE TWO SUBUNITS WITH REMARK 3 A FORCE CONSTANT SET TO 300.0 KCAL/MOL/ANGSTROMS**2 REMARK 3 *(7)* THE IMPROPER TERMS SERVE TO MAINTAIN PLANARITY REMARK 3 AND APPROPRIATE CHIRALITY. THEY ALSO MAINTAIN THE REMARK 3 PEPTIDE BONDS OF ALL RESIDUES (WITH THE EXCEPTION REMARK 3 OF PROLINES) IN THE TRANS CONFORMATION. IN THE REMARK 3 DYNAMICAL SIMULATED ANNEALING CALCULATIONS. REMARK 3 REMARK 3 A TOTAL OF 30 STRUCTURES CONSISTENT WITH THE NMR DATA REMARK 3 WERE CALCULATED. THIS ENTRY REPRESENTS THE COORDINATES REMARK 3 OBTAINED BY AVERAGING THE COORDINATES OF THE 29 INDIVIDUAL REMARK 3 STRUCTURES AND SUBJECTING THE RESULTING COORDINATES TO REMARK 3 FURTHER RESTRAINED MINIMIZATION. THE COORDINATES OF THE REMARK 3 30 STRUCTURES ARE GIVEN IN THE PROTEIN DATA BANK ENTRY REMARK 3 *2IL8*. REMARK 3 REMARK 3 THE 3D STRUCTURE OF THE INTERLEUKIN-8 DIMER IN SOLUTION REMARK 3 DERIVED FROM NMR EXPERIMENTS IS BASED ON 1880 EXPERIMENTAL REMARK 3 DISTANCE RESTRAINTS (OF WHICH 82 ARE INTERSUBUNIT) AND 362 REMARK 3 TORSION ANGLE RESTRAINTS DERIVED FROM NOE AND COUPLING REMARK 3 CONSTANT MEASUREMENTS. A COMPLETE LIST OF EXPERIMENTAL REMARK 3 RESTRAINTS HAS BEEN DEPOSITED WITH THE BROOKHAVEN PROTEIN REMARK 3 DATA BANK AND IS LOCATED IN ENTRY R1IL8MR. REMARK 3 REMARK 3 THE THERMAL PARAMETERS GIVEN IN THIS ENTRY REPRESENT THE REMARK 3 AVERAGE RMS DIFFERENCE BETWEEN THE INDIVIDUAL STRUCTURES REMARK 3 AND THE MEAN COORDINATE POSITIONS. REMARK 3 REMARK 3 THE FIVE N-TERMINAL RESIDUES ARE ILL-DEFINED. REMARK 3 REMARK 3 THE CYS 9 - CYS 50 DISULFIDE BRIDGE IS LEFT-HANDED. REMARK 4 REMARK 4 1IL8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 SER A 1 REMARK 465 SER B 1 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 18 NE2 HIS A 18 CD2 -0.077 REMARK 500 TRP A 57 CG TRP A 57 CD2 -0.108 REMARK 500 HIS B 18 NE2 HIS B 18 CD2 -0.076 REMARK 500 TRP B 57 CG TRP B 57 CD2 -0.109 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TRP A 57 CG - CD1 - NE1 ANGL. DEV. = -6.3 DEGREES REMARK 500 TRP A 57 CD1 - NE1 - CE2 ANGL. DEV. = 5.5 DEGREES REMARK 500 TRP A 57 NE1 - CE2 - CZ2 ANGL. DEV. = 8.9 DEGREES REMARK 500 TRP A 57 NE1 - CE2 - CD2 ANGL. DEV. = -6.9 DEGREES REMARK 500 TRP B 57 CG - CD1 - NE1 ANGL. DEV. = -6.4 DEGREES REMARK 500 TRP B 57 CD1 - NE1 - CE2 ANGL. DEV. = 5.5 DEGREES REMARK 500 TRP B 57 NE1 - CE2 - CZ2 ANGL. DEV. = 9.0 DEGREES REMARK 500 TRP B 57 NE1 - CE2 - CD2 ANGL. DEV. = -7.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 3 -66.47 -130.83 REMARK 500 SER A 14 37.77 -99.09 REMARK 500 ASN A 36 -149.48 -140.28 REMARK 500 ASP A 45 -6.30 -59.09 REMARK 500 PRO A 53 -2.53 -59.25 REMARK 500 LYS B 3 -66.54 -130.81 REMARK 500 SER B 14 37.73 -98.99 REMARK 500 ASN B 36 -149.44 -140.28 REMARK 500 ASP B 45 -6.24 -59.16 REMARK 500 PRO B 53 -2.52 -59.35 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 6 0.32 SIDE_CHAIN REMARK 500 ARG A 26 0.22 SIDE_CHAIN REMARK 500 ARG A 47 0.31 SIDE_CHAIN REMARK 500 ARG A 60 0.21 SIDE_CHAIN REMARK 500 ARG B 6 0.32 SIDE_CHAIN REMARK 500 ARG B 26 0.22 SIDE_CHAIN REMARK 500 ARG B 47 0.31 SIDE_CHAIN REMARK 500 ARG B 60 0.21 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2IL8 RELATED DB: PDB DBREF 1IL8 A 1 72 UNP P10145 IL8_HUMAN 28 99 DBREF 1IL8 B 1 72 UNP P10145 IL8_HUMAN 28 99 SEQRES 1 A 72 SER ALA LYS GLU LEU ARG CYS GLN CYS ILE LYS THR TYR SEQRES 2 A 72 SER LYS PRO PHE HIS PRO LYS PHE ILE LYS GLU LEU ARG SEQRES 3 A 72 VAL ILE GLU SER GLY PRO HIS CYS ALA ASN THR GLU ILE SEQRES 4 A 72 ILE VAL LYS LEU SER ASP GLY ARG GLU LEU CYS LEU ASP SEQRES 5 A 72 PRO LYS GLU ASN TRP VAL GLN ARG VAL VAL GLU LYS PHE SEQRES 6 A 72 LEU LYS ARG ALA GLU ASN SER SEQRES 1 B 72 SER ALA LYS GLU LEU ARG CYS GLN CYS ILE LYS THR TYR SEQRES 2 B 72 SER LYS PRO PHE HIS PRO LYS PHE ILE LYS GLU LEU ARG SEQRES 3 B 72 VAL ILE GLU SER GLY PRO HIS CYS ALA ASN THR GLU ILE SEQRES 4 B 72 ILE VAL LYS LEU SER ASP GLY ARG GLU LEU CYS LEU ASP SEQRES 5 B 72 PRO LYS GLU ASN TRP VAL GLN ARG VAL VAL GLU LYS PHE SEQRES 6 B 72 LEU LYS ARG ALA GLU ASN SER HELIX 1 1 HIS A 18 LYS A 20 5 3 HELIX 2 2 GLU A 55 SER A 72 1 18 HELIX 3 3 HIS B 18 LYS B 20 5 3 HELIX 4 4 GLU B 55 SER B 72 1 18 SHEET 1 A 6 ARG A 47 LEU A 51 0 SHEET 2 A 6 GLU A 38 LEU A 43 -1 O ILE A 39 N LEU A 51 SHEET 3 A 6 ILE A 22 ILE A 28 -1 N LYS A 23 O LYS A 42 SHEET 4 A 6 ILE B 22 ILE B 28 -1 N LEU B 25 O VAL A 27 SHEET 5 A 6 GLU B 38 LEU B 43 -1 O GLU B 38 N ILE B 28 SHEET 6 A 6 ARG B 47 LEU B 51 -1 O ARG B 47 N LEU B 43 SSBOND *** CYS A 7 CYS A 34 1555 1555 2.02 SSBOND *** CYS A 9 CYS A 50 1555 1555 2.02 SSBOND *** CYS B 7 CYS B 34 1555 1555 2.02 SSBOND *** CYS B 9 CYS B 50 1555 1555 2.02 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 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 Single : A 3 LYS NZ :NH3+ -147:sc= -0.114 (180deg=-0.729) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-14!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 47:sc= 0.211 USER MOD Single : A 33 HIS : no HD1:sc= -2.85 K(o=-2.8,f=-7.2!) USER MOD Single : A 36 ASN : amide:sc= -2.62! C(o=-2.6!,f=-3.1!) USER MOD Single : A 37 THR OG1 : rot 134:sc= -0.0753 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.127 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0618 K(o=-0.062,f=-0.99) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.597 K(o=-0.6,f=-2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ -145:sc= -0.132 (180deg=-0.816) USER MOD Single : B 8 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= -0.0162 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 HIS : no HD1:sc= -2.35! C(o=-2.4!,f=-14!) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 49:sc= 0.233 USER MOD Single : B 33 HIS : no HD1:sc= -2.91 K(o=-2.9,f=-7.6!) USER MOD Single : B 36 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3.2!) USER MOD Single : B 37 THR OG1 : rot 133:sc= -0.118 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 SER OG : rot 180:sc= -0.084 USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 ASN : amide:sc= -0.0754 K(o=-0.075,f=-1.2) USER MOD Single : B 59 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 ASN : amide:sc= -0.646 K(o=-0.65,f=-1.7!) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 26.095 -6.510 1.967 1.00 5.91 N ATOM 2 CA ALA A 2 25.775 -5.732 3.200 1.00 5.70 C ATOM 3 C ALA A 2 26.493 -4.380 3.152 1.00 5.15 C ATOM 4 O ALA A 2 27.457 -4.164 3.859 1.00 5.42 O ATOM 5 CB ALA A 2 26.220 -6.494 4.447 1.00 6.12 C ATOM 0 HA ALA A 2 24.697 -5.580 3.245 1.00 5.70 H new ATOM 0 HB1 ALA A 2 25.978 -5.911 5.335 1.00 6.12 H new ATOM 0 HB2 ALA A 2 25.704 -7.453 4.491 1.00 6.12 H new ATOM 0 HB3 ALA A 2 27.296 -6.663 4.406 1.00 6.12 H new ATOM 10 N LYS A 3 26.003 -3.500 2.313 1.00 4.74 N ATOM 11 CA LYS A 3 26.636 -2.149 2.196 1.00 4.44 C ATOM 12 C LYS A 3 25.564 -1.056 2.283 1.00 3.72 C ATOM 13 O LYS A 3 25.532 -0.290 3.226 1.00 3.93 O ATOM 14 CB LYS A 3 27.367 -2.041 0.849 1.00 5.01 C ATOM 15 CG LYS A 3 27.528 -3.441 0.229 1.00 5.72 C ATOM 16 CD LYS A 3 26.173 -3.946 -0.295 1.00 6.38 C ATOM 17 CE LYS A 3 26.288 -4.220 -1.797 1.00 7.00 C ATOM 18 NZ LYS A 3 26.730 -2.994 -2.520 1.00 7.41 N ATOM 0 H LYS A 3 25.197 -3.657 1.708 1.00 4.74 H new ATOM 0 HA LYS A 3 27.347 -2.017 3.012 1.00 4.44 H new ATOM 0 HB2 LYS A 3 26.807 -1.396 0.172 1.00 5.01 H new ATOM 0 HB3 LYS A 3 28.345 -1.582 0.992 1.00 5.01 H new ATOM 0 HG2 LYS A 3 28.251 -3.405 -0.586 1.00 5.72 H new ATOM 0 HG3 LYS A 3 27.920 -4.134 0.973 1.00 5.72 H new ATOM 0 HD2 LYS A 3 25.881 -4.854 0.232 1.00 6.38 H new ATOM 0 HD3 LYS A 3 25.397 -3.205 -0.106 1.00 6.38 H new ATOM 0 HE2 LYS A 3 26.998 -5.028 -1.972 1.00 7.00 H new ATOM 0 HE3 LYS A 3 25.326 -4.552 -2.187 1.00 7.00 H new ATOM 0 HZ1 LYS A 3 26.298 -2.974 -3.466 1.00 7.41 H new ATOM 0 HZ2 LYS A 3 26.435 -2.151 -1.987 1.00 7.41 H new ATOM 0 HZ3 LYS A 3 27.766 -3.000 -2.613 1.00 7.41 H new ATOM 32 N GLU A 4 24.709 -1.008 1.298 1.00 3.22 N ATOM 33 CA GLU A 4 23.632 0.027 1.307 1.00 2.71 C ATOM 34 C GLU A 4 22.339 -0.547 0.717 1.00 2.35 C ATOM 35 O GLU A 4 22.333 -1.051 -0.388 1.00 2.67 O ATOM 36 CB GLU A 4 24.083 1.225 0.475 1.00 3.04 C ATOM 37 CG GLU A 4 25.477 1.658 0.935 1.00 3.68 C ATOM 38 CD GLU A 4 25.810 3.024 0.331 1.00 4.07 C ATOM 39 OE1 GLU A 4 24.939 3.539 -0.353 1.00 4.41 O ATOM 40 OE2 GLU A 4 26.914 3.474 0.587 1.00 4.37 O ATOM 0 H GLU A 4 24.707 -1.634 0.493 1.00 3.22 H new ATOM 0 HA GLU A 4 23.442 0.337 2.335 1.00 2.71 H new ATOM 0 HB2 GLU A 4 24.101 0.963 -0.583 1.00 3.04 H new ATOM 0 HB3 GLU A 4 23.377 2.048 0.588 1.00 3.04 H new ATOM 0 HG2 GLU A 4 25.513 1.711 2.023 1.00 3.68 H new ATOM 0 HG3 GLU A 4 26.219 0.921 0.627 1.00 3.68 H new ATOM 47 N LEU A 5 21.275 -0.455 1.473 1.00 2.29 N ATOM 48 CA LEU A 5 19.964 -0.985 0.982 1.00 2.33 C ATOM 49 C LEU A 5 18.865 0.057 1.208 1.00 1.53 C ATOM 50 O LEU A 5 18.737 0.604 2.285 1.00 1.70 O ATOM 51 CB LEU A 5 19.622 -2.259 1.754 1.00 3.39 C ATOM 52 CG LEU A 5 20.594 -3.370 1.351 1.00 4.32 C ATOM 53 CD1 LEU A 5 21.229 -3.961 2.611 1.00 5.10 C ATOM 54 CD2 LEU A 5 19.825 -4.467 0.612 1.00 5.08 C ATOM 0 H LEU A 5 21.255 -0.039 2.404 1.00 2.29 H new ATOM 0 HA LEU A 5 20.035 -1.203 -0.084 1.00 2.33 H new ATOM 0 HB2 LEU A 5 19.685 -2.076 2.827 1.00 3.39 H new ATOM 0 HB3 LEU A 5 18.597 -2.562 1.542 1.00 3.39 H new ATOM 0 HG LEU A 5 21.370 -2.965 0.702 1.00 4.32 H new ATOM 0 HD11 LEU A 5 21.923 -4.754 2.331 1.00 5.10 H new ATOM 0 HD12 LEU A 5 21.767 -3.180 3.148 1.00 5.10 H new ATOM 0 HD13 LEU A 5 20.450 -4.371 3.253 1.00 5.10 H new ATOM 0 HD21 LEU A 5 20.513 -5.261 0.322 1.00 5.08 H new ATOM 0 HD22 LEU A 5 19.054 -4.875 1.266 1.00 5.08 H new ATOM 0 HD23 LEU A 5 19.359 -4.047 -0.280 1.00 5.08 H new ATOM 66 N ARG A 6 18.090 0.310 0.185 1.00 1.26 N ATOM 67 CA ARG A 6 17.002 1.322 0.324 1.00 0.81 C ATOM 68 C ARG A 6 15.666 0.637 0.626 1.00 0.64 C ATOM 69 O ARG A 6 15.459 -0.508 0.279 1.00 0.62 O ATOM 70 CB ARG A 6 16.868 2.121 -0.980 1.00 1.42 C ATOM 71 CG ARG A 6 18.233 2.241 -1.673 1.00 1.65 C ATOM 72 CD ARG A 6 19.217 2.942 -0.738 1.00 2.03 C ATOM 73 NE ARG A 6 20.351 3.474 -1.546 1.00 2.55 N ATOM 74 CZ ARG A 6 20.465 4.761 -1.720 1.00 3.09 C ATOM 75 NH1 ARG A 6 21.139 5.457 -0.846 1.00 3.67 N ATOM 76 NH2 ARG A 6 19.902 5.310 -2.762 1.00 3.44 N ATOM 0 H ARG A 6 18.162 -0.135 -0.730 1.00 1.26 H new ATOM 0 HA ARG A 6 17.257 1.990 1.147 1.00 0.81 H new ATOM 0 HB2 ARG A 6 16.157 1.630 -1.644 1.00 1.42 H new ATOM 0 HB3 ARG A 6 16.472 3.114 -0.767 1.00 1.42 H new ATOM 0 HG2 ARG A 6 18.607 1.252 -1.937 1.00 1.65 H new ATOM 0 HG3 ARG A 6 18.134 2.803 -2.602 1.00 1.65 H new ATOM 0 HD2 ARG A 6 18.720 3.753 -0.206 1.00 2.03 H new ATOM 0 HD3 ARG A 6 19.584 2.245 0.015 1.00 2.03 H new ATOM 0 HE ARG A 6 21.032 2.837 -1.959 1.00 2.55 H new ATOM 0 HH11 ARG A 6 21.566 4.993 -0.044 1.00 3.67 H new ATOM 0 HH12 ARG A 6 21.239 6.465 -0.965 1.00 3.67 H new ATOM 0 HH21 ARG A 6 19.383 4.733 -3.424 1.00 3.44 H new ATOM 0 HH22 ARG A 6 19.981 6.316 -2.914 1.00 3.44 H new ATOM 90 N CYS A 7 14.785 1.362 1.265 1.00 0.57 N ATOM 91 CA CYS A 7 13.451 0.780 1.592 1.00 0.44 C ATOM 92 C CYS A 7 12.709 0.423 0.300 1.00 0.41 C ATOM 93 O CYS A 7 12.988 0.975 -0.745 1.00 0.48 O ATOM 94 CB CYS A 7 12.636 1.812 2.370 1.00 0.46 C ATOM 95 SG CYS A 7 12.980 1.990 4.136 1.00 0.50 S ATOM 0 H CYS A 7 14.930 2.324 1.572 1.00 0.57 H new ATOM 0 HA CYS A 7 13.585 -0.121 2.191 1.00 0.44 H new ATOM 0 HB2 CYS A 7 12.786 2.783 1.899 1.00 0.46 H new ATOM 0 HB3 CYS A 7 11.581 1.562 2.257 1.00 0.46 H new ATOM 100 N GLN A 8 11.780 -0.490 0.394 1.00 0.35 N ATOM 101 CA GLN A 8 11.014 -0.864 -0.831 1.00 0.38 C ATOM 102 C GLN A 8 10.214 0.343 -1.327 1.00 0.38 C ATOM 103 O GLN A 8 9.932 0.459 -2.502 1.00 0.45 O ATOM 104 CB GLN A 8 10.057 -2.011 -0.500 1.00 0.38 C ATOM 105 CG GLN A 8 10.828 -3.336 -0.506 1.00 0.45 C ATOM 106 CD GLN A 8 10.621 -4.035 -1.851 1.00 0.77 C ATOM 107 OE1 GLN A 8 9.433 -4.480 -2.158 1.00 1.49 O flip ATOM 108 NE2 GLN A 8 11.538 -4.183 -2.634 1.00 1.36 N flip ATOM 0 H GLN A 8 11.521 -0.985 1.248 1.00 0.35 H new ATOM 0 HA GLN A 8 11.708 -1.180 -1.610 1.00 0.38 H new ATOM 0 HB2 GLN A 8 9.600 -1.848 0.476 1.00 0.38 H new ATOM 0 HB3 GLN A 8 9.247 -2.045 -1.229 1.00 0.38 H new ATOM 0 HG2 GLN A 8 11.889 -3.153 -0.338 1.00 0.45 H new ATOM 0 HG3 GLN A 8 10.482 -3.975 0.306 1.00 0.45 H new ATOM 0 HE21 GLN A 8 12.469 -3.838 -2.400 1.00 1.36 H new ATOM 0 HE22 GLN A 8 11.377 -4.653 -3.525 1.00 1.36 H new ATOM 117 N CYS A 9 9.874 1.217 -0.411 1.00 0.34 N ATOM 118 CA CYS A 9 9.096 2.436 -0.793 1.00 0.38 C ATOM 119 C CYS A 9 9.858 3.701 -0.388 1.00 0.34 C ATOM 120 O CYS A 9 10.004 3.993 0.782 1.00 0.44 O ATOM 121 CB CYS A 9 7.749 2.409 -0.077 1.00 0.49 C ATOM 122 SG CYS A 9 6.511 1.245 -0.688 1.00 0.78 S ATOM 0 H CYS A 9 10.101 1.139 0.580 1.00 0.34 H new ATOM 0 HA CYS A 9 8.949 2.443 -1.873 1.00 0.38 H new ATOM 0 HB2 CYS A 9 7.930 2.188 0.975 1.00 0.49 H new ATOM 0 HB3 CYS A 9 7.322 3.411 -0.123 1.00 0.49 H new ATOM 127 N ILE A 10 10.329 4.426 -1.367 1.00 0.44 N ATOM 128 CA ILE A 10 11.079 5.678 -1.056 1.00 0.57 C ATOM 129 C ILE A 10 10.117 6.871 -1.043 1.00 0.53 C ATOM 130 O ILE A 10 10.292 7.802 -0.282 1.00 0.69 O ATOM 131 CB ILE A 10 12.153 5.897 -2.122 1.00 0.78 C ATOM 132 CG1 ILE A 10 12.925 4.591 -2.333 1.00 0.86 C ATOM 133 CG2 ILE A 10 13.120 6.983 -1.649 1.00 0.97 C ATOM 134 CD1 ILE A 10 14.039 4.826 -3.356 1.00 1.24 C ATOM 0 H ILE A 10 10.229 4.209 -2.359 1.00 0.44 H new ATOM 0 HA ILE A 10 11.547 5.588 -0.076 1.00 0.57 H new ATOM 0 HB ILE A 10 11.686 6.205 -3.057 1.00 0.78 H new ATOM 0 HG12 ILE A 10 13.348 4.248 -1.389 1.00 0.86 H new ATOM 0 HG13 ILE A 10 12.252 3.809 -2.684 1.00 0.86 H new ATOM 0 HG21 ILE A 10 13.887 7.142 -2.407 1.00 0.97 H new ATOM 0 HG22 ILE A 10 12.573 7.912 -1.486 1.00 0.97 H new ATOM 0 HG23 ILE A 10 13.590 6.671 -0.716 1.00 0.97 H new ATOM 0 HD11 ILE A 10 14.592 3.900 -3.511 1.00 1.24 H new ATOM 0 HD12 ILE A 10 13.603 5.150 -4.301 1.00 1.24 H new ATOM 0 HD13 ILE A 10 14.716 5.596 -2.986 1.00 1.24 H new ATOM 146 N LYS A 11 9.122 6.809 -1.893 1.00 0.49 N ATOM 147 CA LYS A 11 8.120 7.921 -1.957 1.00 0.47 C ATOM 148 C LYS A 11 6.723 7.380 -1.635 1.00 0.42 C ATOM 149 O LYS A 11 6.541 6.190 -1.478 1.00 0.62 O ATOM 150 CB LYS A 11 8.124 8.515 -3.365 1.00 0.56 C ATOM 151 CG LYS A 11 8.446 10.009 -3.278 1.00 1.39 C ATOM 152 CD LYS A 11 8.521 10.589 -4.691 1.00 1.86 C ATOM 153 CE LYS A 11 8.139 12.069 -4.648 1.00 2.62 C ATOM 154 NZ LYS A 11 8.797 12.809 -5.761 1.00 3.10 N ATOM 0 H LYS A 11 8.959 6.040 -2.543 1.00 0.49 H new ATOM 0 HA LYS A 11 8.381 8.690 -1.230 1.00 0.47 H new ATOM 0 HB2 LYS A 11 8.862 8.007 -3.985 1.00 0.56 H new ATOM 0 HB3 LYS A 11 7.153 8.367 -3.838 1.00 0.56 H new ATOM 0 HG2 LYS A 11 7.680 10.526 -2.700 1.00 1.39 H new ATOM 0 HG3 LYS A 11 9.393 10.160 -2.759 1.00 1.39 H new ATOM 0 HD2 LYS A 11 9.528 10.473 -5.092 1.00 1.86 H new ATOM 0 HD3 LYS A 11 7.849 10.047 -5.356 1.00 1.86 H new ATOM 0 HE2 LYS A 11 7.057 12.174 -4.723 1.00 2.62 H new ATOM 0 HE3 LYS A 11 8.435 12.500 -3.692 1.00 2.62 H new ATOM 0 HZ1 LYS A 11 8.527 13.813 -5.718 1.00 3.10 H new ATOM 0 HZ2 LYS A 11 9.830 12.724 -5.672 1.00 3.10 H new ATOM 0 HZ3 LYS A 11 8.494 12.408 -6.671 1.00 3.10 H new ATOM 168 N THR A 12 5.767 8.271 -1.541 1.00 0.38 N ATOM 169 CA THR A 12 4.371 7.825 -1.227 1.00 0.33 C ATOM 170 C THR A 12 3.363 8.559 -2.119 1.00 0.32 C ATOM 171 O THR A 12 3.732 9.385 -2.929 1.00 0.37 O ATOM 172 CB THR A 12 4.066 8.126 0.243 1.00 0.35 C ATOM 173 OG1 THR A 12 4.472 9.478 0.430 1.00 0.39 O ATOM 174 CG2 THR A 12 4.950 7.306 1.181 1.00 0.39 C ATOM 0 H THR A 12 5.888 9.276 -1.666 1.00 0.38 H new ATOM 0 HA THR A 12 4.289 6.754 -1.413 1.00 0.33 H new ATOM 0 HB THR A 12 3.018 7.913 0.455 1.00 0.35 H new ATOM 0 HG1 THR A 12 4.304 9.745 1.358 1.00 0.39 H new ATOM 0 HG21 THR A 12 4.705 7.547 2.215 1.00 0.39 H new ATOM 0 HG22 THR A 12 4.780 6.244 1.005 1.00 0.39 H new ATOM 0 HG23 THR A 12 5.997 7.542 0.992 1.00 0.39 H new ATOM 182 N TYR A 13 2.110 8.235 -1.946 1.00 0.30 N ATOM 183 CA TYR A 13 1.050 8.891 -2.773 1.00 0.31 C ATOM 184 C TYR A 13 0.351 9.992 -1.965 1.00 0.33 C ATOM 185 O TYR A 13 -0.233 9.731 -0.932 1.00 0.49 O ATOM 186 CB TYR A 13 0.030 7.824 -3.189 1.00 0.33 C ATOM 187 CG TYR A 13 -0.507 8.124 -4.594 1.00 0.36 C ATOM 188 CD1 TYR A 13 0.346 8.170 -5.679 1.00 0.41 C ATOM 189 CD2 TYR A 13 -1.855 8.349 -4.795 1.00 0.38 C ATOM 190 CE1 TYR A 13 -0.140 8.439 -6.942 1.00 0.47 C ATOM 191 CE2 TYR A 13 -2.340 8.616 -6.059 1.00 0.43 C ATOM 192 CZ TYR A 13 -1.487 8.664 -7.141 1.00 0.47 C ATOM 193 OH TYR A 13 -1.973 8.932 -8.405 1.00 0.54 O ATOM 0 H TYR A 13 1.773 7.548 -1.272 1.00 0.30 H new ATOM 0 HA TYR A 13 1.500 9.346 -3.655 1.00 0.31 H new ATOM 0 HB2 TYR A 13 0.496 6.839 -3.173 1.00 0.33 H new ATOM 0 HB3 TYR A 13 -0.793 7.799 -2.475 1.00 0.33 H new ATOM 0 HD1 TYR A 13 1.402 7.994 -5.538 1.00 0.41 H new ATOM 0 HD2 TYR A 13 -2.535 8.316 -3.956 1.00 0.38 H new ATOM 0 HE1 TYR A 13 0.539 8.474 -7.781 1.00 0.47 H new ATOM 0 HE2 TYR A 13 -3.396 8.789 -6.202 1.00 0.43 H new ATOM 0 HH TYR A 13 -2.943 9.064 -8.361 1.00 0.54 H new ATOM 203 N SER A 14 0.426 11.202 -2.459 1.00 0.33 N ATOM 204 CA SER A 14 -0.224 12.337 -1.734 1.00 0.33 C ATOM 205 C SER A 14 -1.585 12.664 -2.363 1.00 0.34 C ATOM 206 O SER A 14 -1.963 13.815 -2.463 1.00 0.41 O ATOM 207 CB SER A 14 0.683 13.565 -1.816 1.00 0.36 C ATOM 208 OG SER A 14 0.630 13.945 -3.183 1.00 0.41 O ATOM 0 H SER A 14 0.904 11.452 -3.324 1.00 0.33 H new ATOM 0 HA SER A 14 -0.379 12.054 -0.693 1.00 0.33 H new ATOM 0 HB2 SER A 14 0.330 14.365 -1.166 1.00 0.36 H new ATOM 0 HB3 SER A 14 1.701 13.330 -1.507 1.00 0.36 H new ATOM 0 HG SER A 14 1.190 14.736 -3.324 1.00 0.41 H new ATOM 214 N LYS A 15 -2.285 11.643 -2.773 1.00 0.34 N ATOM 215 CA LYS A 15 -3.625 11.867 -3.393 1.00 0.37 C ATOM 216 C LYS A 15 -4.596 10.723 -2.965 1.00 0.35 C ATOM 217 O LYS A 15 -4.508 9.627 -3.482 1.00 0.33 O ATOM 218 CB LYS A 15 -3.468 11.850 -4.916 1.00 0.41 C ATOM 219 CG LYS A 15 -4.359 12.944 -5.522 1.00 0.99 C ATOM 220 CD LYS A 15 -4.287 12.875 -7.055 1.00 1.30 C ATOM 221 CE LYS A 15 -3.094 13.700 -7.549 1.00 1.87 C ATOM 222 NZ LYS A 15 -3.521 15.093 -7.865 1.00 2.64 N ATOM 0 H LYS A 15 -1.991 10.668 -2.707 1.00 0.34 H new ATOM 0 HA LYS A 15 -4.029 12.825 -3.066 1.00 0.37 H new ATOM 0 HB2 LYS A 15 -2.426 12.019 -5.189 1.00 0.41 H new ATOM 0 HB3 LYS A 15 -3.748 10.874 -5.313 1.00 0.41 H new ATOM 0 HG2 LYS A 15 -5.389 12.814 -5.190 1.00 0.99 H new ATOM 0 HG3 LYS A 15 -4.034 13.925 -5.176 1.00 0.99 H new ATOM 0 HD2 LYS A 15 -4.185 11.839 -7.378 1.00 1.30 H new ATOM 0 HD3 LYS A 15 -5.211 13.255 -7.490 1.00 1.30 H new ATOM 0 HE2 LYS A 15 -2.314 13.716 -6.788 1.00 1.87 H new ATOM 0 HE3 LYS A 15 -2.664 13.235 -8.436 1.00 1.87 H new ATOM 0 HZ1 LYS A 15 -2.702 15.640 -8.199 1.00 2.64 H new ATOM 0 HZ2 LYS A 15 -4.249 15.073 -8.607 1.00 2.64 H new ATOM 0 HZ3 LYS A 15 -3.910 15.539 -7.010 1.00 2.64 H new ATOM 236 N PRO A 16 -5.504 10.989 -2.018 1.00 0.37 N ATOM 237 CA PRO A 16 -6.437 9.949 -1.554 1.00 0.37 C ATOM 238 C PRO A 16 -7.292 9.405 -2.706 1.00 0.37 C ATOM 239 O PRO A 16 -7.695 10.140 -3.585 1.00 0.42 O ATOM 240 CB PRO A 16 -7.316 10.630 -0.500 1.00 0.42 C ATOM 241 CG PRO A 16 -6.753 12.066 -0.286 1.00 0.45 C ATOM 242 CD PRO A 16 -5.668 12.298 -1.353 1.00 0.41 C ATOM 0 HA PRO A 16 -5.901 9.091 -1.147 1.00 0.37 H new ATOM 0 HB2 PRO A 16 -8.353 10.669 -0.832 1.00 0.42 H new ATOM 0 HB3 PRO A 16 -7.301 10.068 0.434 1.00 0.42 H new ATOM 0 HG2 PRO A 16 -7.547 12.807 -0.378 1.00 0.45 H new ATOM 0 HG3 PRO A 16 -6.335 12.169 0.715 1.00 0.45 H new ATOM 0 HD2 PRO A 16 -5.971 13.067 -2.064 1.00 0.41 H new ATOM 0 HD3 PRO A 16 -4.734 12.631 -0.901 1.00 0.41 H new ATOM 250 N PHE A 17 -7.544 8.119 -2.667 1.00 0.35 N ATOM 251 CA PHE A 17 -8.369 7.494 -3.743 1.00 0.36 C ATOM 252 C PHE A 17 -9.353 6.480 -3.143 1.00 0.37 C ATOM 253 O PHE A 17 -9.551 6.434 -1.945 1.00 0.61 O ATOM 254 CB PHE A 17 -7.449 6.788 -4.739 1.00 0.35 C ATOM 255 CG PHE A 17 -6.534 5.820 -3.987 1.00 0.36 C ATOM 256 CD1 PHE A 17 -6.929 4.513 -3.760 1.00 0.63 C ATOM 257 CD2 PHE A 17 -5.299 6.240 -3.524 1.00 0.31 C ATOM 258 CE1 PHE A 17 -6.104 3.644 -3.081 1.00 0.75 C ATOM 259 CE2 PHE A 17 -4.475 5.367 -2.844 1.00 0.32 C ATOM 260 CZ PHE A 17 -4.879 4.070 -2.623 1.00 0.56 C ATOM 0 H PHE A 17 -7.216 7.481 -1.942 1.00 0.35 H new ATOM 0 HA PHE A 17 -8.937 8.273 -4.252 1.00 0.36 H new ATOM 0 HB2 PHE A 17 -8.041 6.247 -5.477 1.00 0.35 H new ATOM 0 HB3 PHE A 17 -6.853 7.521 -5.283 1.00 0.35 H new ATOM 0 HD1 PHE A 17 -7.890 4.173 -4.117 1.00 0.63 H new ATOM 0 HD2 PHE A 17 -4.979 7.257 -3.696 1.00 0.31 H new ATOM 0 HE1 PHE A 17 -6.420 2.626 -2.908 1.00 0.75 H new ATOM 0 HE2 PHE A 17 -3.513 5.701 -2.485 1.00 0.32 H new ATOM 0 HZ PHE A 17 -4.234 3.387 -2.090 1.00 0.56 H new ATOM 270 N HIS A 18 -9.943 5.690 -4.001 1.00 0.32 N ATOM 271 CA HIS A 18 -10.938 4.670 -3.535 1.00 0.29 C ATOM 272 C HIS A 18 -10.406 3.233 -3.824 1.00 0.25 C ATOM 273 O HIS A 18 -9.803 3.008 -4.854 1.00 0.27 O ATOM 274 CB HIS A 18 -12.221 4.900 -4.334 1.00 0.33 C ATOM 275 CG HIS A 18 -13.357 4.098 -3.729 1.00 0.33 C ATOM 276 ND1 HIS A 18 -13.506 2.795 -3.861 1.00 0.30 N ATOM 277 CD2 HIS A 18 -14.419 4.535 -2.951 1.00 0.39 C ATOM 278 CE1 HIS A 18 -14.572 2.439 -3.226 1.00 0.35 C ATOM 279 NE2 HIS A 18 -15.109 3.470 -2.688 1.00 0.40 N ATOM 0 H HIS A 18 -9.780 5.705 -5.008 1.00 0.32 H new ATOM 0 HA HIS A 18 -11.112 4.765 -2.463 1.00 0.29 H new ATOM 0 HB2 HIS A 18 -12.474 5.960 -4.336 1.00 0.33 H new ATOM 0 HB3 HIS A 18 -12.070 4.607 -5.373 1.00 0.33 H new ATOM 0 HD2 HIS A 18 -14.626 5.546 -2.633 1.00 0.39 H new ATOM 0 HE1 HIS A 18 -14.952 1.430 -3.159 1.00 0.35 H new ATOM 0 HE2 HIS A 18 -15.962 3.455 -2.129 1.00 0.40 H new ATOM 287 N PRO A 19 -10.637 2.273 -2.912 1.00 0.24 N ATOM 288 CA PRO A 19 -10.171 0.894 -3.135 1.00 0.25 C ATOM 289 C PRO A 19 -10.710 0.333 -4.464 1.00 0.28 C ATOM 290 O PRO A 19 -10.269 -0.700 -4.926 1.00 0.32 O ATOM 291 CB PRO A 19 -10.712 0.082 -1.952 1.00 0.29 C ATOM 292 CG PRO A 19 -11.463 1.070 -1.012 1.00 0.30 C ATOM 293 CD PRO A 19 -11.337 2.477 -1.622 1.00 0.27 C ATOM 0 HA PRO A 19 -9.084 0.849 -3.199 1.00 0.25 H new ATOM 0 HB2 PRO A 19 -11.384 -0.702 -2.300 1.00 0.29 H new ATOM 0 HB3 PRO A 19 -9.898 -0.410 -1.420 1.00 0.29 H new ATOM 0 HG2 PRO A 19 -12.511 0.786 -0.917 1.00 0.30 H new ATOM 0 HG3 PRO A 19 -11.034 1.047 -0.010 1.00 0.30 H new ATOM 0 HD2 PRO A 19 -12.316 2.932 -1.772 1.00 0.27 H new ATOM 0 HD3 PRO A 19 -10.773 3.142 -0.968 1.00 0.27 H new ATOM 301 N LYS A 20 -11.656 1.023 -5.043 1.00 0.28 N ATOM 302 CA LYS A 20 -12.225 0.544 -6.343 1.00 0.32 C ATOM 303 C LYS A 20 -11.094 0.282 -7.342 1.00 0.32 C ATOM 304 O LYS A 20 -11.198 -0.578 -8.195 1.00 0.48 O ATOM 305 CB LYS A 20 -13.148 1.624 -6.903 1.00 0.39 C ATOM 306 CG LYS A 20 -14.415 0.991 -7.499 1.00 0.59 C ATOM 307 CD LYS A 20 -15.405 2.109 -7.881 1.00 0.58 C ATOM 308 CE LYS A 20 -14.928 2.834 -9.151 1.00 0.60 C ATOM 309 NZ LYS A 20 -15.957 2.732 -10.223 1.00 1.45 N ATOM 0 H LYS A 20 -12.058 1.888 -4.680 1.00 0.28 H new ATOM 0 HA LYS A 20 -12.780 -0.380 -6.180 1.00 0.32 H new ATOM 0 HB2 LYS A 20 -13.421 2.324 -6.113 1.00 0.39 H new ATOM 0 HB3 LYS A 20 -12.625 2.197 -7.669 1.00 0.39 H new ATOM 0 HG2 LYS A 20 -14.161 0.397 -8.377 1.00 0.59 H new ATOM 0 HG3 LYS A 20 -14.872 0.314 -6.777 1.00 0.59 H new ATOM 0 HD2 LYS A 20 -16.396 1.686 -8.046 1.00 0.58 H new ATOM 0 HD3 LYS A 20 -15.495 2.820 -7.060 1.00 0.58 H new ATOM 0 HE2 LYS A 20 -14.730 3.882 -8.927 1.00 0.60 H new ATOM 0 HE3 LYS A 20 -13.990 2.399 -9.496 1.00 0.60 H new ATOM 0 HZ1 LYS A 20 -15.621 3.226 -11.074 1.00 1.45 H new ATOM 0 HZ2 LYS A 20 -16.126 1.731 -10.448 1.00 1.45 H new ATOM 0 HZ3 LYS A 20 -16.843 3.168 -9.896 1.00 1.45 H new ATOM 323 N PHE A 21 -10.038 1.034 -7.211 1.00 0.30 N ATOM 324 CA PHE A 21 -8.881 0.863 -8.141 1.00 0.30 C ATOM 325 C PHE A 21 -7.879 -0.148 -7.573 1.00 0.25 C ATOM 326 O PHE A 21 -6.976 -0.585 -8.258 1.00 0.35 O ATOM 327 CB PHE A 21 -8.191 2.214 -8.306 1.00 0.36 C ATOM 328 CG PHE A 21 -9.158 3.195 -8.971 1.00 0.38 C ATOM 329 CD1 PHE A 21 -9.459 3.083 -10.317 1.00 0.48 C ATOM 330 CD2 PHE A 21 -9.743 4.209 -8.233 1.00 0.38 C ATOM 331 CE1 PHE A 21 -10.333 3.971 -10.913 1.00 0.55 C ATOM 332 CE2 PHE A 21 -10.615 5.094 -8.831 1.00 0.44 C ATOM 333 CZ PHE A 21 -10.910 4.975 -10.169 1.00 0.51 C ATOM 0 H PHE A 21 -9.923 1.759 -6.503 1.00 0.30 H new ATOM 0 HA PHE A 21 -9.241 0.494 -9.101 1.00 0.30 H new ATOM 0 HB2 PHE A 21 -7.877 2.596 -7.335 1.00 0.36 H new ATOM 0 HB3 PHE A 21 -7.291 2.105 -8.912 1.00 0.36 H new ATOM 0 HD1 PHE A 21 -9.008 2.297 -10.905 1.00 0.48 H new ATOM 0 HD2 PHE A 21 -9.515 4.308 -7.182 1.00 0.38 H new ATOM 0 HE1 PHE A 21 -10.564 3.877 -11.964 1.00 0.55 H new ATOM 0 HE2 PHE A 21 -11.067 5.882 -8.247 1.00 0.44 H new ATOM 0 HZ PHE A 21 -11.594 5.669 -10.636 1.00 0.51 H new ATOM 343 N ILE A 22 -8.063 -0.496 -6.333 1.00 0.30 N ATOM 344 CA ILE A 22 -7.124 -1.463 -5.689 1.00 0.24 C ATOM 345 C ILE A 22 -7.642 -2.896 -5.840 1.00 0.24 C ATOM 346 O ILE A 22 -8.778 -3.187 -5.523 1.00 0.28 O ATOM 347 CB ILE A 22 -6.994 -1.127 -4.181 1.00 0.29 C ATOM 348 CG1 ILE A 22 -6.300 0.254 -3.962 1.00 0.41 C ATOM 349 CG2 ILE A 22 -6.178 -2.229 -3.492 1.00 0.26 C ATOM 350 CD1 ILE A 22 -5.737 1.249 -4.985 1.00 1.12 C ATOM 0 H ILE A 22 -8.818 -0.157 -5.737 1.00 0.30 H new ATOM 0 HA ILE A 22 -6.152 -1.384 -6.176 1.00 0.24 H new ATOM 0 HB ILE A 22 -7.994 -1.071 -3.751 1.00 0.29 H new ATOM 0 HG12 ILE A 22 -7.020 0.834 -3.384 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -5.461 0.037 -3.301 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.082 -2.001 -2.431 1.00 0.26 H new ATOM 0 HG22 ILE A 22 -6.685 -3.186 -3.613 1.00 0.26 H new ATOM 0 HG23 ILE A 22 -5.187 -2.284 -3.943 1.00 0.26 H new ATOM 0 HD11 ILE A 22 -5.324 2.112 -4.463 1.00 1.12 H new ATOM 0 HD12 ILE A 22 -4.952 0.767 -5.568 1.00 1.12 H new ATOM 0 HD13 ILE A 22 -6.535 1.576 -5.652 1.00 1.12 H new ATOM 362 N LYS A 23 -6.779 -3.754 -6.326 1.00 0.23 N ATOM 363 CA LYS A 23 -7.156 -5.179 -6.504 1.00 0.26 C ATOM 364 C LYS A 23 -6.221 -6.063 -5.681 1.00 0.22 C ATOM 365 O LYS A 23 -6.582 -7.157 -5.293 1.00 0.24 O ATOM 366 CB LYS A 23 -7.033 -5.556 -7.979 1.00 0.32 C ATOM 367 CG LYS A 23 -8.278 -5.077 -8.731 1.00 0.35 C ATOM 368 CD LYS A 23 -9.345 -6.176 -8.710 1.00 0.80 C ATOM 369 CE LYS A 23 -10.555 -5.712 -9.522 1.00 0.96 C ATOM 370 NZ LYS A 23 -11.821 -6.041 -8.809 1.00 1.58 N ATOM 0 H LYS A 23 -5.826 -3.522 -6.607 1.00 0.23 H new ATOM 0 HA LYS A 23 -8.184 -5.325 -6.171 1.00 0.26 H new ATOM 0 HB2 LYS A 23 -6.139 -5.104 -8.408 1.00 0.32 H new ATOM 0 HB3 LYS A 23 -6.925 -6.636 -8.082 1.00 0.32 H new ATOM 0 HG2 LYS A 23 -8.667 -4.169 -8.270 1.00 0.35 H new ATOM 0 HG3 LYS A 23 -8.020 -4.826 -9.760 1.00 0.35 H new ATOM 0 HD2 LYS A 23 -8.943 -7.099 -9.128 1.00 0.80 H new ATOM 0 HD3 LYS A 23 -9.641 -6.393 -7.684 1.00 0.80 H new ATOM 0 HE2 LYS A 23 -10.495 -4.637 -9.692 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -10.548 -6.190 -10.501 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -12.632 -5.719 -9.375 1.00 1.58 H new ATOM 0 HZ2 LYS A 23 -11.883 -7.070 -8.669 1.00 1.58 H new ATOM 0 HZ3 LYS A 23 -11.833 -5.565 -7.885 1.00 1.58 H new ATOM 384 N GLU A 24 -5.032 -5.568 -5.436 1.00 0.19 N ATOM 385 CA GLU A 24 -4.050 -6.372 -4.636 1.00 0.18 C ATOM 386 C GLU A 24 -3.346 -5.486 -3.601 1.00 0.18 C ATOM 387 O GLU A 24 -2.903 -4.398 -3.911 1.00 0.24 O ATOM 388 CB GLU A 24 -3.010 -6.971 -5.581 1.00 0.22 C ATOM 389 CG GLU A 24 -1.794 -7.421 -4.766 1.00 0.24 C ATOM 390 CD GLU A 24 -1.004 -8.459 -5.567 1.00 0.57 C ATOM 391 OE1 GLU A 24 -0.731 -8.160 -6.718 1.00 1.47 O ATOM 392 OE2 GLU A 24 -0.716 -9.490 -4.983 1.00 1.27 O ATOM 0 H GLU A 24 -4.700 -4.656 -5.749 1.00 0.19 H new ATOM 0 HA GLU A 24 -4.583 -7.165 -4.112 1.00 0.18 H new ATOM 0 HB2 GLU A 24 -3.435 -7.817 -6.121 1.00 0.22 H new ATOM 0 HB3 GLU A 24 -2.711 -6.235 -6.327 1.00 0.22 H new ATOM 0 HG2 GLU A 24 -1.160 -6.565 -4.534 1.00 0.24 H new ATOM 0 HG3 GLU A 24 -2.116 -7.846 -3.816 1.00 0.24 H new ATOM 399 N LEU A 25 -3.260 -5.981 -2.389 1.00 0.18 N ATOM 400 CA LEU A 25 -2.588 -5.198 -1.307 1.00 0.19 C ATOM 401 C LEU A 25 -1.250 -5.848 -0.941 1.00 0.19 C ATOM 402 O LEU A 25 -1.096 -7.050 -1.034 1.00 0.22 O ATOM 403 CB LEU A 25 -3.491 -5.173 -0.075 1.00 0.24 C ATOM 404 CG LEU A 25 -3.056 -4.034 0.848 1.00 0.27 C ATOM 405 CD1 LEU A 25 -3.853 -2.774 0.504 1.00 0.36 C ATOM 406 CD2 LEU A 25 -3.337 -4.428 2.299 1.00 0.39 C ATOM 0 H LEU A 25 -3.625 -6.890 -2.104 1.00 0.18 H new ATOM 0 HA LEU A 25 -2.406 -4.182 -1.658 1.00 0.19 H new ATOM 0 HB2 LEU A 25 -4.530 -5.037 -0.374 1.00 0.24 H new ATOM 0 HB3 LEU A 25 -3.433 -6.125 0.452 1.00 0.24 H new ATOM 0 HG LEU A 25 -1.991 -3.841 0.719 1.00 0.27 H new ATOM 0 HD11 LEU A 25 -3.546 -1.959 1.160 1.00 0.36 H new ATOM 0 HD12 LEU A 25 -3.664 -2.496 -0.533 1.00 0.36 H new ATOM 0 HD13 LEU A 25 -4.917 -2.968 0.640 1.00 0.36 H new ATOM 0 HD21 LEU A 25 -3.029 -3.619 2.962 1.00 0.39 H new ATOM 0 HD22 LEU A 25 -4.404 -4.614 2.425 1.00 0.39 H new ATOM 0 HD23 LEU A 25 -2.779 -5.332 2.545 1.00 0.39 H new ATOM 418 N ARG A 26 -0.310 -5.039 -0.532 1.00 0.19 N ATOM 419 CA ARG A 26 1.025 -5.596 -0.156 1.00 0.22 C ATOM 420 C ARG A 26 1.609 -4.820 1.029 1.00 0.23 C ATOM 421 O ARG A 26 1.766 -3.617 0.964 1.00 0.38 O ATOM 422 CB ARG A 26 1.962 -5.483 -1.349 1.00 0.28 C ATOM 423 CG ARG A 26 1.967 -6.805 -2.120 1.00 0.43 C ATOM 424 CD ARG A 26 2.468 -6.558 -3.545 1.00 0.51 C ATOM 425 NE ARG A 26 3.874 -6.065 -3.486 1.00 1.21 N ATOM 426 CZ ARG A 26 4.698 -6.367 -4.451 1.00 1.38 C ATOM 427 NH1 ARG A 26 4.290 -6.259 -5.685 1.00 1.95 N ATOM 428 NH2 ARG A 26 5.903 -6.767 -4.148 1.00 1.61 N ATOM 0 H ARG A 26 -0.405 -4.027 -0.442 1.00 0.19 H new ATOM 0 HA ARG A 26 0.911 -6.641 0.132 1.00 0.22 H new ATOM 0 HB2 ARG A 26 1.642 -4.670 -2.001 1.00 0.28 H new ATOM 0 HB3 ARG A 26 2.970 -5.242 -1.012 1.00 0.28 H new ATOM 0 HG2 ARG A 26 2.608 -7.530 -1.618 1.00 0.43 H new ATOM 0 HG3 ARG A 26 0.963 -7.229 -2.144 1.00 0.43 H new ATOM 0 HD2 ARG A 26 2.416 -7.478 -4.127 1.00 0.51 H new ATOM 0 HD3 ARG A 26 1.833 -5.827 -4.046 1.00 0.51 H new ATOM 0 HE ARG A 26 4.188 -5.497 -2.699 1.00 1.21 H new ATOM 0 HH11 ARG A 26 3.341 -5.943 -5.882 1.00 1.95 H new ATOM 0 HH12 ARG A 26 4.920 -6.491 -6.453 1.00 1.95 H new ATOM 0 HH21 ARG A 26 6.186 -6.839 -3.171 1.00 1.61 H new ATOM 0 HH22 ARG A 26 6.562 -7.008 -4.889 1.00 1.61 H new ATOM 442 N VAL A 27 1.914 -5.533 2.087 1.00 0.23 N ATOM 443 CA VAL A 27 2.494 -4.865 3.296 1.00 0.23 C ATOM 444 C VAL A 27 3.845 -5.496 3.647 1.00 0.25 C ATOM 445 O VAL A 27 3.936 -6.688 3.863 1.00 0.36 O ATOM 446 CB VAL A 27 1.534 -5.036 4.472 1.00 0.25 C ATOM 447 CG1 VAL A 27 2.026 -4.192 5.649 1.00 0.30 C ATOM 448 CG2 VAL A 27 0.141 -4.560 4.058 1.00 0.27 C ATOM 0 H VAL A 27 1.788 -6.542 2.166 1.00 0.23 H new ATOM 0 HA VAL A 27 2.640 -3.805 3.086 1.00 0.23 H new ATOM 0 HB VAL A 27 1.492 -6.085 4.764 1.00 0.25 H new ATOM 0 HG11 VAL A 27 1.344 -4.310 6.491 1.00 0.30 H new ATOM 0 HG12 VAL A 27 3.024 -4.521 5.940 1.00 0.30 H new ATOM 0 HG13 VAL A 27 2.061 -3.143 5.355 1.00 0.30 H new ATOM 0 HG21 VAL A 27 -0.548 -4.680 4.894 1.00 0.27 H new ATOM 0 HG22 VAL A 27 0.186 -3.509 3.773 1.00 0.27 H new ATOM 0 HG23 VAL A 27 -0.209 -5.151 3.212 1.00 0.27 H new ATOM 458 N ILE A 28 4.865 -4.674 3.695 1.00 0.19 N ATOM 459 CA ILE A 28 6.230 -5.195 4.027 1.00 0.19 C ATOM 460 C ILE A 28 6.734 -4.566 5.331 1.00 0.21 C ATOM 461 O ILE A 28 6.892 -3.365 5.426 1.00 0.25 O ATOM 462 CB ILE A 28 7.183 -4.841 2.882 1.00 0.22 C ATOM 463 CG1 ILE A 28 6.799 -5.673 1.646 1.00 0.28 C ATOM 464 CG2 ILE A 28 8.622 -5.170 3.293 1.00 0.21 C ATOM 465 CD1 ILE A 28 7.585 -5.181 0.423 1.00 0.44 C ATOM 0 H ILE A 28 4.813 -3.670 3.520 1.00 0.19 H new ATOM 0 HA ILE A 28 6.186 -6.276 4.157 1.00 0.19 H new ATOM 0 HB ILE A 28 7.111 -3.778 2.653 1.00 0.22 H new ATOM 0 HG12 ILE A 28 7.011 -6.727 1.826 1.00 0.28 H new ATOM 0 HG13 ILE A 28 5.728 -5.590 1.459 1.00 0.28 H new ATOM 0 HG21 ILE A 28 9.300 -4.918 2.478 1.00 0.21 H new ATOM 0 HG22 ILE A 28 8.889 -4.593 4.178 1.00 0.21 H new ATOM 0 HG23 ILE A 28 8.703 -6.234 3.516 1.00 0.21 H new ATOM 0 HD11 ILE A 28 7.309 -5.774 -0.449 1.00 0.44 H new ATOM 0 HD12 ILE A 28 7.351 -4.133 0.238 1.00 0.44 H new ATOM 0 HD13 ILE A 28 8.654 -5.287 0.610 1.00 0.44 H new ATOM 477 N GLU A 29 6.974 -5.398 6.308 1.00 0.23 N ATOM 478 CA GLU A 29 7.465 -4.877 7.618 1.00 0.27 C ATOM 479 C GLU A 29 8.963 -4.557 7.535 1.00 0.27 C ATOM 480 O GLU A 29 9.636 -4.971 6.612 1.00 0.27 O ATOM 481 CB GLU A 29 7.227 -5.943 8.691 1.00 0.30 C ATOM 482 CG GLU A 29 7.869 -5.493 10.006 1.00 0.40 C ATOM 483 CD GLU A 29 7.285 -6.310 11.161 1.00 0.83 C ATOM 484 OE1 GLU A 29 6.546 -7.231 10.854 1.00 1.53 O ATOM 485 OE2 GLU A 29 7.612 -5.966 12.285 1.00 1.55 O ATOM 0 H GLU A 29 6.853 -6.410 6.258 1.00 0.23 H new ATOM 0 HA GLU A 29 6.927 -3.963 7.870 1.00 0.27 H new ATOM 0 HB2 GLU A 29 6.158 -6.101 8.831 1.00 0.30 H new ATOM 0 HB3 GLU A 29 7.651 -6.895 8.374 1.00 0.30 H new ATOM 0 HG2 GLU A 29 8.950 -5.627 9.961 1.00 0.40 H new ATOM 0 HG3 GLU A 29 7.686 -4.431 10.168 1.00 0.40 H new ATOM 492 N SER A 30 9.446 -3.818 8.501 1.00 0.32 N ATOM 493 CA SER A 30 10.898 -3.458 8.511 1.00 0.34 C ATOM 494 C SER A 30 11.750 -4.661 8.092 1.00 0.35 C ATOM 495 O SER A 30 11.670 -5.716 8.691 1.00 0.39 O ATOM 496 CB SER A 30 11.294 -3.029 9.923 1.00 0.40 C ATOM 497 OG SER A 30 10.692 -4.003 10.763 1.00 0.45 O ATOM 0 H SER A 30 8.901 -3.449 9.281 1.00 0.32 H new ATOM 0 HA SER A 30 11.068 -2.644 7.807 1.00 0.34 H new ATOM 0 HB2 SER A 30 12.377 -3.012 10.045 1.00 0.40 H new ATOM 0 HB3 SER A 30 10.931 -2.027 10.151 1.00 0.40 H new ATOM 0 HG SER A 30 10.876 -4.898 10.410 1.00 0.45 H new ATOM 503 N GLY A 31 12.545 -4.470 7.069 1.00 0.35 N ATOM 504 CA GLY A 31 13.418 -5.582 6.582 1.00 0.38 C ATOM 505 C GLY A 31 14.889 -5.143 6.603 1.00 0.42 C ATOM 506 O GLY A 31 15.218 -4.084 7.100 1.00 0.42 O ATOM 0 H GLY A 31 12.627 -3.595 6.551 1.00 0.35 H new ATOM 0 HA2 GLY A 31 13.284 -6.462 7.210 1.00 0.38 H new ATOM 0 HA3 GLY A 31 13.129 -5.866 5.570 1.00 0.38 H new ATOM 510 N PRO A 32 15.748 -5.979 6.059 1.00 0.46 N ATOM 511 CA PRO A 32 17.187 -5.687 6.012 1.00 0.51 C ATOM 512 C PRO A 32 17.445 -4.465 5.126 1.00 0.49 C ATOM 513 O PRO A 32 18.571 -4.040 4.955 1.00 0.53 O ATOM 514 CB PRO A 32 17.832 -6.940 5.405 1.00 0.55 C ATOM 515 CG PRO A 32 16.682 -7.947 5.088 1.00 0.54 C ATOM 516 CD PRO A 32 15.354 -7.260 5.455 1.00 0.47 C ATOM 0 HA PRO A 32 17.595 -5.460 6.997 1.00 0.51 H new ATOM 0 HB2 PRO A 32 18.383 -6.688 4.499 1.00 0.55 H new ATOM 0 HB3 PRO A 32 18.547 -7.380 6.101 1.00 0.55 H new ATOM 0 HG2 PRO A 32 16.693 -8.222 4.033 1.00 0.54 H new ATOM 0 HG3 PRO A 32 16.809 -8.867 5.659 1.00 0.54 H new ATOM 0 HD2 PRO A 32 14.731 -7.107 4.574 1.00 0.47 H new ATOM 0 HD3 PRO A 32 14.775 -7.865 6.153 1.00 0.47 H new ATOM 524 N HIS A 33 16.382 -3.935 4.588 1.00 0.45 N ATOM 525 CA HIS A 33 16.500 -2.739 3.701 1.00 0.46 C ATOM 526 C HIS A 33 15.696 -1.578 4.289 1.00 0.44 C ATOM 527 O HIS A 33 15.926 -0.430 3.964 1.00 0.51 O ATOM 528 CB HIS A 33 15.936 -3.097 2.334 1.00 0.44 C ATOM 529 CG HIS A 33 14.421 -3.269 2.460 1.00 0.36 C ATOM 530 ND1 HIS A 33 13.830 -4.010 3.342 1.00 0.33 N ATOM 531 CD2 HIS A 33 13.395 -2.688 1.718 1.00 0.34 C ATOM 532 CE1 HIS A 33 12.557 -3.940 3.215 1.00 0.29 C ATOM 533 NE2 HIS A 33 12.263 -3.140 2.233 1.00 0.28 N ATOM 0 H HIS A 33 15.431 -4.279 4.724 1.00 0.45 H new ATOM 0 HA HIS A 33 17.545 -2.442 3.616 1.00 0.46 H new ATOM 0 HB2 HIS A 33 16.169 -2.314 1.612 1.00 0.44 H new ATOM 0 HB3 HIS A 33 16.392 -4.016 1.966 1.00 0.44 H new ATOM 0 HD2 HIS A 33 13.502 -2.005 0.888 1.00 0.34 H new ATOM 0 HE1 HIS A 33 11.839 -4.464 3.829 1.00 0.29 H new ATOM 0 HE2 HIS A 33 11.323 -2.902 1.915 1.00 0.28 H new ATOM 541 N CYS A 34 14.764 -1.911 5.144 1.00 0.38 N ATOM 542 CA CYS A 34 13.920 -0.851 5.769 1.00 0.38 C ATOM 543 C CYS A 34 13.747 -1.129 7.267 1.00 0.39 C ATOM 544 O CYS A 34 13.426 -2.232 7.663 1.00 0.39 O ATOM 545 CB CYS A 34 12.553 -0.844 5.088 1.00 0.35 C ATOM 546 SG CYS A 34 11.671 0.732 5.021 1.00 0.45 S ATOM 0 H CYS A 34 14.552 -2.865 5.435 1.00 0.38 H new ATOM 0 HA CYS A 34 14.403 0.118 5.646 1.00 0.38 H new ATOM 0 HB2 CYS A 34 12.683 -1.202 4.067 1.00 0.35 H new ATOM 0 HB3 CYS A 34 11.917 -1.566 5.600 1.00 0.35 H new ATOM 551 N ALA A 35 13.963 -0.118 8.065 1.00 0.43 N ATOM 552 CA ALA A 35 13.822 -0.300 9.539 1.00 0.47 C ATOM 553 C ALA A 35 12.444 0.184 10.005 1.00 0.46 C ATOM 554 O ALA A 35 12.264 0.538 11.153 1.00 0.52 O ATOM 555 CB ALA A 35 14.911 0.505 10.246 1.00 0.53 C ATOM 0 H ALA A 35 14.229 0.819 7.763 1.00 0.43 H new ATOM 0 HA ALA A 35 13.922 -1.358 9.782 1.00 0.47 H new ATOM 0 HB1 ALA A 35 14.815 0.378 11.324 1.00 0.53 H new ATOM 0 HB2 ALA A 35 15.891 0.152 9.924 1.00 0.53 H new ATOM 0 HB3 ALA A 35 14.805 1.560 9.994 1.00 0.53 H new ATOM 561 N ASN A 36 11.500 0.185 9.101 1.00 0.42 N ATOM 562 CA ASN A 36 10.127 0.649 9.469 1.00 0.43 C ATOM 563 C ASN A 36 9.068 -0.232 8.807 1.00 0.39 C ATOM 564 O ASN A 36 9.274 -1.402 8.585 1.00 0.44 O ATOM 565 CB ASN A 36 9.949 2.095 9.005 1.00 0.46 C ATOM 566 CG ASN A 36 11.110 2.943 9.530 1.00 0.58 C ATOM 567 OD1 ASN A 36 11.592 2.744 10.626 1.00 1.19 O ATOM 568 ND2 ASN A 36 11.587 3.898 8.779 1.00 1.16 N ATOM 0 H ASN A 36 11.617 -0.112 8.132 1.00 0.42 H new ATOM 0 HA ASN A 36 10.007 0.584 10.550 1.00 0.43 H new ATOM 0 HB2 ASN A 36 9.916 2.138 7.916 1.00 0.46 H new ATOM 0 HB3 ASN A 36 9.001 2.491 9.369 1.00 0.46 H new ATOM 0 HD21 ASN A 36 12.361 4.472 9.114 1.00 1.16 H new ATOM 0 HD22 ASN A 36 11.186 4.070 7.857 1.00 1.16 H new ATOM 575 N THR A 37 7.952 0.361 8.523 1.00 0.39 N ATOM 576 CA THR A 37 6.843 -0.399 7.867 1.00 0.36 C ATOM 577 C THR A 37 6.326 0.378 6.653 1.00 0.34 C ATOM 578 O THR A 37 6.209 1.587 6.692 1.00 0.40 O ATOM 579 CB THR A 37 5.714 -0.601 8.879 1.00 0.43 C ATOM 580 OG1 THR A 37 5.840 -1.958 9.292 1.00 0.46 O ATOM 581 CG2 THR A 37 4.330 -0.505 8.236 1.00 0.45 C ATOM 0 H THR A 37 7.751 1.343 8.714 1.00 0.39 H new ATOM 0 HA THR A 37 7.210 -1.368 7.530 1.00 0.36 H new ATOM 0 HB THR A 37 5.792 0.151 9.664 1.00 0.43 H new ATOM 0 HG1 THR A 37 5.778 -2.010 10.269 1.00 0.46 H new ATOM 0 HG21 THR A 37 3.564 -0.656 8.997 1.00 0.45 H new ATOM 0 HG22 THR A 37 4.206 0.480 7.786 1.00 0.45 H new ATOM 0 HG23 THR A 37 4.232 -1.271 7.466 1.00 0.45 H new ATOM 589 N GLU A 38 6.029 -0.336 5.598 1.00 0.31 N ATOM 590 CA GLU A 38 5.519 0.340 4.365 1.00 0.34 C ATOM 591 C GLU A 38 4.353 -0.455 3.770 1.00 0.29 C ATOM 592 O GLU A 38 4.450 -1.650 3.572 1.00 0.32 O ATOM 593 CB GLU A 38 6.651 0.429 3.342 1.00 0.42 C ATOM 594 CG GLU A 38 7.970 0.678 4.077 1.00 1.06 C ATOM 595 CD GLU A 38 9.036 1.114 3.069 1.00 1.86 C ATOM 596 OE1 GLU A 38 9.272 0.336 2.160 1.00 2.43 O ATOM 597 OE2 GLU A 38 9.553 2.201 3.267 1.00 2.55 O ATOM 0 H GLU A 38 6.116 -1.350 5.535 1.00 0.31 H new ATOM 0 HA GLU A 38 5.168 1.340 4.621 1.00 0.34 H new ATOM 0 HB2 GLU A 38 6.710 -0.494 2.765 1.00 0.42 H new ATOM 0 HB3 GLU A 38 6.456 1.235 2.635 1.00 0.42 H new ATOM 0 HG2 GLU A 38 7.836 1.447 4.838 1.00 1.06 H new ATOM 0 HG3 GLU A 38 8.289 -0.228 4.592 1.00 1.06 H new ATOM 604 N ILE A 39 3.274 0.230 3.496 1.00 0.27 N ATOM 605 CA ILE A 39 2.088 -0.466 2.915 1.00 0.24 C ATOM 606 C ILE A 39 2.042 -0.262 1.397 1.00 0.23 C ATOM 607 O ILE A 39 1.653 0.786 0.919 1.00 0.26 O ATOM 608 CB ILE A 39 0.816 0.106 3.546 1.00 0.28 C ATOM 609 CG1 ILE A 39 0.693 -0.420 4.985 1.00 0.41 C ATOM 610 CG2 ILE A 39 -0.398 -0.348 2.729 1.00 0.32 C ATOM 611 CD1 ILE A 39 -0.433 0.326 5.720 1.00 0.62 C ATOM 0 H ILE A 39 3.162 1.232 3.648 1.00 0.27 H new ATOM 0 HA ILE A 39 2.161 -1.534 3.123 1.00 0.24 H new ATOM 0 HB ILE A 39 0.861 1.195 3.556 1.00 0.28 H new ATOM 0 HG12 ILE A 39 0.485 -1.490 4.974 1.00 0.41 H new ATOM 0 HG13 ILE A 39 1.637 -0.284 5.513 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.307 0.056 3.173 1.00 0.32 H new ATOM 0 HG22 ILE A 39 -0.303 0.013 1.705 1.00 0.32 H new ATOM 0 HG23 ILE A 39 -0.448 -1.437 2.727 1.00 0.32 H new ATOM 0 HD11 ILE A 39 -0.515 -0.052 6.739 1.00 0.62 H new ATOM 0 HD12 ILE A 39 -0.207 1.392 5.745 1.00 0.62 H new ATOM 0 HD13 ILE A 39 -1.376 0.167 5.197 1.00 0.62 H new ATOM 623 N ILE A 40 2.440 -1.271 0.671 1.00 0.20 N ATOM 624 CA ILE A 40 2.420 -1.156 -0.818 1.00 0.21 C ATOM 625 C ILE A 40 1.067 -1.628 -1.360 1.00 0.21 C ATOM 626 O ILE A 40 0.332 -2.319 -0.682 1.00 0.26 O ATOM 627 CB ILE A 40 3.537 -2.023 -1.399 1.00 0.23 C ATOM 628 CG1 ILE A 40 4.882 -1.355 -1.116 1.00 0.36 C ATOM 629 CG2 ILE A 40 3.348 -2.157 -2.911 1.00 0.42 C ATOM 630 CD1 ILE A 40 5.956 -2.432 -0.959 1.00 0.76 C ATOM 0 H ILE A 40 2.775 -2.162 1.038 1.00 0.20 H new ATOM 0 HA ILE A 40 2.572 -0.116 -1.105 1.00 0.21 H new ATOM 0 HB ILE A 40 3.509 -3.012 -0.942 1.00 0.23 H new ATOM 0 HG12 ILE A 40 5.144 -0.679 -1.930 1.00 0.36 H new ATOM 0 HG13 ILE A 40 4.819 -0.753 -0.210 1.00 0.36 H new ATOM 0 HG21 ILE A 40 4.145 -2.775 -3.324 1.00 0.42 H new ATOM 0 HG22 ILE A 40 2.384 -2.622 -3.117 1.00 0.42 H new ATOM 0 HG23 ILE A 40 3.380 -1.169 -3.371 1.00 0.42 H new ATOM 0 HD11 ILE A 40 6.918 -1.960 -0.757 1.00 0.76 H new ATOM 0 HD12 ILE A 40 5.693 -3.090 -0.130 1.00 0.76 H new ATOM 0 HD13 ILE A 40 6.024 -3.015 -1.878 1.00 0.76 H new ATOM 642 N VAL A 41 0.764 -1.246 -2.570 1.00 0.21 N ATOM 643 CA VAL A 41 -0.539 -1.663 -3.160 1.00 0.20 C ATOM 644 C VAL A 41 -0.417 -1.813 -4.683 1.00 0.19 C ATOM 645 O VAL A 41 0.496 -1.283 -5.286 1.00 0.23 O ATOM 646 CB VAL A 41 -1.589 -0.602 -2.823 1.00 0.23 C ATOM 647 CG1 VAL A 41 -1.152 0.750 -3.402 1.00 0.37 C ATOM 648 CG2 VAL A 41 -2.932 -1.007 -3.426 1.00 0.36 C ATOM 0 H VAL A 41 1.354 -0.670 -3.170 1.00 0.21 H new ATOM 0 HA VAL A 41 -0.834 -2.627 -2.746 1.00 0.20 H new ATOM 0 HB VAL A 41 -1.689 -0.518 -1.741 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -1.899 1.507 -3.163 1.00 0.37 H new ATOM 0 HG12 VAL A 41 -0.193 1.038 -2.971 1.00 0.37 H new ATOM 0 HG13 VAL A 41 -1.053 0.667 -4.484 1.00 0.37 H new ATOM 0 HG21 VAL A 41 -3.681 -0.252 -3.187 1.00 0.36 H new ATOM 0 HG22 VAL A 41 -2.834 -1.091 -4.508 1.00 0.36 H new ATOM 0 HG23 VAL A 41 -3.241 -1.968 -3.014 1.00 0.36 H new ATOM 658 N LYS A 42 -1.342 -2.539 -5.270 1.00 0.20 N ATOM 659 CA LYS A 42 -1.301 -2.741 -6.756 1.00 0.21 C ATOM 660 C LYS A 42 -2.663 -2.414 -7.380 1.00 0.20 C ATOM 661 O LYS A 42 -3.690 -2.895 -6.932 1.00 0.20 O ATOM 662 CB LYS A 42 -0.940 -4.193 -7.060 1.00 0.25 C ATOM 663 CG LYS A 42 0.409 -4.229 -7.788 1.00 0.42 C ATOM 664 CD LYS A 42 0.761 -5.678 -8.135 1.00 0.69 C ATOM 665 CE LYS A 42 1.272 -5.738 -9.575 1.00 1.02 C ATOM 666 NZ LYS A 42 1.652 -7.132 -9.938 1.00 1.67 N ATOM 0 H LYS A 42 -2.117 -2.996 -4.789 1.00 0.20 H new ATOM 0 HA LYS A 42 -0.550 -2.074 -7.181 1.00 0.21 H new ATOM 0 HB2 LYS A 42 -0.885 -4.769 -6.136 1.00 0.25 H new ATOM 0 HB3 LYS A 42 -1.713 -4.652 -7.676 1.00 0.25 H new ATOM 0 HG2 LYS A 42 0.361 -3.627 -8.696 1.00 0.42 H new ATOM 0 HG3 LYS A 42 1.186 -3.795 -7.159 1.00 0.42 H new ATOM 0 HD2 LYS A 42 1.521 -6.055 -7.450 1.00 0.69 H new ATOM 0 HD3 LYS A 42 -0.116 -6.316 -8.020 1.00 0.69 H new ATOM 0 HE2 LYS A 42 0.501 -5.376 -10.256 1.00 1.02 H new ATOM 0 HE3 LYS A 42 2.133 -5.079 -9.689 1.00 1.02 H new ATOM 0 HZ1 LYS A 42 1.997 -7.154 -10.919 1.00 1.67 H new ATOM 0 HZ2 LYS A 42 2.403 -7.464 -9.300 1.00 1.67 H new ATOM 0 HZ3 LYS A 42 0.822 -7.752 -9.849 1.00 1.67 H new ATOM 680 N LEU A 43 -2.634 -1.606 -8.411 1.00 0.22 N ATOM 681 CA LEU A 43 -3.908 -1.220 -9.090 1.00 0.24 C ATOM 682 C LEU A 43 -4.205 -2.171 -10.254 1.00 0.27 C ATOM 683 O LEU A 43 -3.304 -2.634 -10.927 1.00 0.33 O ATOM 684 CB LEU A 43 -3.777 0.202 -9.626 1.00 0.29 C ATOM 685 CG LEU A 43 -3.977 1.194 -8.482 1.00 0.35 C ATOM 686 CD1 LEU A 43 -2.974 0.884 -7.369 1.00 0.42 C ATOM 687 CD2 LEU A 43 -3.734 2.614 -8.997 1.00 0.51 C ATOM 0 H LEU A 43 -1.788 -1.199 -8.810 1.00 0.22 H new ATOM 0 HA LEU A 43 -4.724 -1.278 -8.370 1.00 0.24 H new ATOM 0 HB2 LEU A 43 -2.795 0.343 -10.078 1.00 0.29 H new ATOM 0 HB3 LEU A 43 -4.516 0.378 -10.408 1.00 0.29 H new ATOM 0 HG LEU A 43 -4.993 1.112 -8.097 1.00 0.35 H new ATOM 0 HD11 LEU A 43 -3.111 1.589 -6.549 1.00 0.42 H new ATOM 0 HD12 LEU A 43 -3.135 -0.131 -7.006 1.00 0.42 H new ATOM 0 HD13 LEU A 43 -1.960 0.973 -7.758 1.00 0.42 H new ATOM 0 HD21 LEU A 43 -3.876 3.325 -8.183 1.00 0.51 H new ATOM 0 HD22 LEU A 43 -2.715 2.694 -9.376 1.00 0.51 H new ATOM 0 HD23 LEU A 43 -4.438 2.835 -9.799 1.00 0.51 H new ATOM 699 N SER A 44 -5.470 -2.432 -10.461 1.00 0.29 N ATOM 700 CA SER A 44 -5.875 -3.350 -11.573 1.00 0.35 C ATOM 701 C SER A 44 -5.185 -2.971 -12.891 1.00 0.38 C ATOM 702 O SER A 44 -4.875 -3.826 -13.697 1.00 0.46 O ATOM 703 CB SER A 44 -7.387 -3.254 -11.764 1.00 0.38 C ATOM 704 OG SER A 44 -7.540 -2.385 -12.877 1.00 0.55 O ATOM 0 H SER A 44 -6.240 -2.051 -9.911 1.00 0.29 H new ATOM 0 HA SER A 44 -5.578 -4.365 -11.308 1.00 0.35 H new ATOM 0 HB2 SER A 44 -7.827 -4.232 -11.958 1.00 0.38 H new ATOM 0 HB3 SER A 44 -7.877 -2.855 -10.876 1.00 0.38 H new ATOM 0 HG SER A 44 -8.493 -2.268 -13.072 1.00 0.55 H new ATOM 710 N ASP A 45 -4.961 -1.702 -13.084 1.00 0.38 N ATOM 711 CA ASP A 45 -4.309 -1.263 -14.355 1.00 0.48 C ATOM 712 C ASP A 45 -2.935 -1.924 -14.504 1.00 0.50 C ATOM 713 O ASP A 45 -2.286 -1.790 -15.524 1.00 0.59 O ATOM 714 CB ASP A 45 -4.144 0.255 -14.334 1.00 0.52 C ATOM 715 CG ASP A 45 -3.793 0.705 -12.915 1.00 0.48 C ATOM 716 OD1 ASP A 45 -2.827 0.167 -12.401 1.00 1.19 O ATOM 717 OD2 ASP A 45 -4.511 1.561 -12.425 1.00 1.17 O ATOM 0 H ASP A 45 -5.196 -0.956 -12.429 1.00 0.38 H new ATOM 0 HA ASP A 45 -4.934 -1.558 -15.198 1.00 0.48 H new ATOM 0 HB2 ASP A 45 -3.360 0.557 -15.028 1.00 0.52 H new ATOM 0 HB3 ASP A 45 -5.064 0.737 -14.664 1.00 0.52 H new ATOM 722 N GLY A 46 -2.524 -2.621 -13.486 1.00 0.44 N ATOM 723 CA GLY A 46 -1.200 -3.299 -13.550 1.00 0.51 C ATOM 724 C GLY A 46 -0.103 -2.363 -13.044 1.00 0.48 C ATOM 725 O GLY A 46 1.036 -2.466 -13.454 1.00 0.56 O ATOM 0 H GLY A 46 -3.042 -2.751 -12.617 1.00 0.44 H new ATOM 0 HA2 GLY A 46 -1.219 -4.208 -12.948 1.00 0.51 H new ATOM 0 HA3 GLY A 46 -0.987 -3.600 -14.576 1.00 0.51 H new ATOM 729 N ARG A 47 -0.474 -1.470 -12.160 1.00 0.39 N ATOM 730 CA ARG A 47 0.535 -0.503 -11.613 1.00 0.38 C ATOM 731 C ARG A 47 0.776 -0.767 -10.125 1.00 0.33 C ATOM 732 O ARG A 47 0.004 -1.449 -9.481 1.00 0.43 O ATOM 733 CB ARG A 47 0.007 0.920 -11.796 1.00 0.40 C ATOM 734 CG ARG A 47 -0.273 1.165 -13.283 1.00 0.58 C ATOM 735 CD ARG A 47 -1.054 2.473 -13.444 1.00 1.03 C ATOM 736 NE ARG A 47 -0.149 3.619 -13.142 1.00 1.28 N ATOM 737 CZ ARG A 47 0.009 4.562 -14.030 1.00 1.84 C ATOM 738 NH1 ARG A 47 -0.951 5.428 -14.207 1.00 2.50 N ATOM 739 NH2 ARG A 47 1.120 4.606 -14.712 1.00 2.38 N ATOM 0 H ARG A 47 -1.421 -1.367 -11.795 1.00 0.39 H new ATOM 0 HA ARG A 47 1.477 -0.628 -12.147 1.00 0.38 H new ATOM 0 HB2 ARG A 47 -0.904 1.061 -11.214 1.00 0.40 H new ATOM 0 HB3 ARG A 47 0.736 1.642 -11.427 1.00 0.40 H new ATOM 0 HG2 ARG A 47 0.664 1.217 -13.837 1.00 0.58 H new ATOM 0 HG3 ARG A 47 -0.843 0.334 -13.699 1.00 0.58 H new ATOM 0 HD2 ARG A 47 -1.442 2.557 -14.459 1.00 1.03 H new ATOM 0 HD3 ARG A 47 -1.912 2.484 -12.772 1.00 1.03 H new ATOM 0 HE ARG A 47 0.342 3.665 -12.249 1.00 1.28 H new ATOM 0 HH11 ARG A 47 -1.807 5.361 -13.656 1.00 2.50 H new ATOM 0 HH12 ARG A 47 -0.846 6.172 -14.897 1.00 2.50 H new ATOM 0 HH21 ARG A 47 1.848 3.910 -14.547 1.00 2.38 H new ATOM 0 HH22 ARG A 47 1.261 5.336 -15.410 1.00 2.38 H new ATOM 753 N GLU A 48 1.848 -0.219 -9.614 1.00 0.29 N ATOM 754 CA GLU A 48 2.165 -0.420 -8.169 1.00 0.26 C ATOM 755 C GLU A 48 2.631 0.895 -7.543 1.00 0.26 C ATOM 756 O GLU A 48 3.522 1.547 -8.053 1.00 0.33 O ATOM 757 CB GLU A 48 3.267 -1.473 -8.035 1.00 0.31 C ATOM 758 CG GLU A 48 4.613 -0.845 -8.401 1.00 1.27 C ATOM 759 CD GLU A 48 5.622 -1.955 -8.704 1.00 1.57 C ATOM 760 OE1 GLU A 48 5.241 -2.843 -9.449 1.00 2.19 O ATOM 761 OE2 GLU A 48 6.715 -1.852 -8.174 1.00 1.81 O ATOM 0 H GLU A 48 2.514 0.355 -10.131 1.00 0.29 H new ATOM 0 HA GLU A 48 1.268 -0.758 -7.649 1.00 0.26 H new ATOM 0 HB2 GLU A 48 3.297 -1.857 -7.015 1.00 0.31 H new ATOM 0 HB3 GLU A 48 3.058 -2.320 -8.689 1.00 0.31 H new ATOM 0 HG2 GLU A 48 4.500 -0.194 -9.268 1.00 1.27 H new ATOM 0 HG3 GLU A 48 4.973 -0.224 -7.581 1.00 1.27 H new ATOM 768 N LEU A 49 2.011 1.256 -6.447 1.00 0.24 N ATOM 769 CA LEU A 49 2.393 2.527 -5.757 1.00 0.26 C ATOM 770 C LEU A 49 2.665 2.259 -4.275 1.00 0.25 C ATOM 771 O LEU A 49 2.623 1.129 -3.829 1.00 0.43 O ATOM 772 CB LEU A 49 1.249 3.532 -5.890 1.00 0.32 C ATOM 773 CG LEU A 49 1.051 3.878 -7.367 1.00 0.37 C ATOM 774 CD1 LEU A 49 -0.354 3.460 -7.798 1.00 0.75 C ATOM 775 CD2 LEU A 49 1.204 5.388 -7.552 1.00 0.55 C ATOM 0 H LEU A 49 1.260 0.728 -6.002 1.00 0.24 H new ATOM 0 HA LEU A 49 3.296 2.929 -6.216 1.00 0.26 H new ATOM 0 HB2 LEU A 49 0.332 3.113 -5.476 1.00 0.32 H new ATOM 0 HB3 LEU A 49 1.473 4.434 -5.320 1.00 0.32 H new ATOM 0 HG LEU A 49 1.792 3.354 -7.971 1.00 0.37 H new ATOM 0 HD11 LEU A 49 -0.500 3.705 -8.850 1.00 0.75 H new ATOM 0 HD12 LEU A 49 -0.474 2.386 -7.655 1.00 0.75 H new ATOM 0 HD13 LEU A 49 -1.092 3.991 -7.197 1.00 0.75 H new ATOM 0 HD21 LEU A 49 1.064 5.642 -8.603 1.00 0.55 H new ATOM 0 HD22 LEU A 49 0.457 5.906 -6.951 1.00 0.55 H new ATOM 0 HD23 LEU A 49 2.201 5.694 -7.234 1.00 0.55 H new ATOM 787 N CYS A 50 2.938 3.312 -3.546 1.00 0.22 N ATOM 788 CA CYS A 50 3.222 3.152 -2.087 1.00 0.21 C ATOM 789 C CYS A 50 2.414 4.169 -1.278 1.00 0.22 C ATOM 790 O CYS A 50 2.380 5.339 -1.605 1.00 0.28 O ATOM 791 CB CYS A 50 4.712 3.378 -1.846 1.00 0.25 C ATOM 792 SG CYS A 50 5.847 2.083 -2.400 1.00 0.53 S ATOM 0 H CYS A 50 2.976 4.270 -3.895 1.00 0.22 H new ATOM 0 HA CYS A 50 2.940 2.148 -1.771 1.00 0.21 H new ATOM 0 HB2 CYS A 50 4.996 4.309 -2.338 1.00 0.25 H new ATOM 0 HB3 CYS A 50 4.863 3.524 -0.776 1.00 0.25 H new ATOM 797 N LEU A 51 1.781 3.694 -0.236 1.00 0.22 N ATOM 798 CA LEU A 51 0.961 4.609 0.614 1.00 0.24 C ATOM 799 C LEU A 51 1.668 4.875 1.945 1.00 0.28 C ATOM 800 O LEU A 51 2.491 4.096 2.381 1.00 0.35 O ATOM 801 CB LEU A 51 -0.392 3.954 0.888 1.00 0.24 C ATOM 802 CG LEU A 51 -0.945 3.369 -0.414 1.00 0.31 C ATOM 803 CD1 LEU A 51 -2.334 2.787 -0.150 1.00 0.36 C ATOM 804 CD2 LEU A 51 -1.053 4.481 -1.460 1.00 0.44 C ATOM 0 H LEU A 51 1.796 2.719 0.062 1.00 0.22 H new ATOM 0 HA LEU A 51 0.824 5.555 0.090 1.00 0.24 H new ATOM 0 HB2 LEU A 51 -0.284 3.168 1.636 1.00 0.24 H new ATOM 0 HB3 LEU A 51 -1.088 4.687 1.295 1.00 0.24 H new ATOM 0 HG LEU A 51 -0.281 2.586 -0.779 1.00 0.31 H new ATOM 0 HD11 LEU A 51 -2.735 2.368 -1.073 1.00 0.36 H new ATOM 0 HD12 LEU A 51 -2.263 2.002 0.603 1.00 0.36 H new ATOM 0 HD13 LEU A 51 -2.996 3.575 0.208 1.00 0.36 H new ATOM 0 HD21 LEU A 51 -1.446 4.069 -2.389 1.00 0.44 H new ATOM 0 HD22 LEU A 51 -1.723 5.260 -1.096 1.00 0.44 H new ATOM 0 HD23 LEU A 51 -0.066 4.907 -1.641 1.00 0.44 H new ATOM 816 N ASP A 52 1.323 5.976 2.558 1.00 0.31 N ATOM 817 CA ASP A 52 1.952 6.325 3.865 1.00 0.38 C ATOM 818 C ASP A 52 0.927 6.106 5.015 1.00 0.32 C ATOM 819 O ASP A 52 -0.026 6.852 5.121 1.00 0.31 O ATOM 820 CB ASP A 52 2.343 7.802 3.834 1.00 0.48 C ATOM 821 CG ASP A 52 3.494 8.042 4.812 1.00 0.65 C ATOM 822 OD1 ASP A 52 3.519 7.330 5.802 1.00 0.62 O ATOM 823 OD2 ASP A 52 4.282 8.924 4.514 1.00 1.03 O ATOM 0 H ASP A 52 0.636 6.646 2.212 1.00 0.31 H new ATOM 0 HA ASP A 52 2.827 5.697 4.032 1.00 0.38 H new ATOM 0 HB2 ASP A 52 2.641 8.090 2.826 1.00 0.48 H new ATOM 0 HB3 ASP A 52 1.488 8.422 4.102 1.00 0.48 H new ATOM 828 N PRO A 53 1.125 5.089 5.864 1.00 0.39 N ATOM 829 CA PRO A 53 0.180 4.840 6.961 1.00 0.44 C ATOM 830 C PRO A 53 0.091 6.063 7.876 1.00 0.45 C ATOM 831 O PRO A 53 -0.671 6.084 8.823 1.00 0.57 O ATOM 832 CB PRO A 53 0.741 3.632 7.721 1.00 0.58 C ATOM 833 CG PRO A 53 2.014 3.157 6.960 1.00 0.63 C ATOM 834 CD PRO A 53 2.267 4.152 5.814 1.00 0.50 C ATOM 0 HA PRO A 53 -0.828 4.648 6.593 1.00 0.44 H new ATOM 0 HB2 PRO A 53 0.986 3.904 8.748 1.00 0.58 H new ATOM 0 HB3 PRO A 53 0.002 2.832 7.771 1.00 0.58 H new ATOM 0 HG2 PRO A 53 2.871 3.121 7.632 1.00 0.63 H new ATOM 0 HG3 PRO A 53 1.873 2.149 6.569 1.00 0.63 H new ATOM 0 HD2 PRO A 53 3.214 4.676 5.947 1.00 0.50 H new ATOM 0 HD3 PRO A 53 2.318 3.642 4.852 1.00 0.50 H new ATOM 842 N LYS A 54 0.877 7.059 7.570 1.00 0.39 N ATOM 843 CA LYS A 54 0.859 8.289 8.396 1.00 0.44 C ATOM 844 C LYS A 54 -0.370 9.141 8.056 1.00 0.44 C ATOM 845 O LYS A 54 -0.687 10.078 8.761 1.00 0.50 O ATOM 846 CB LYS A 54 2.129 9.092 8.119 1.00 0.48 C ATOM 847 CG LYS A 54 2.325 10.125 9.230 1.00 0.95 C ATOM 848 CD LYS A 54 3.639 10.874 8.991 1.00 1.29 C ATOM 849 CE LYS A 54 3.853 11.884 10.120 1.00 1.92 C ATOM 850 NZ LYS A 54 4.886 11.388 11.073 1.00 2.78 N ATOM 0 H LYS A 54 1.528 7.070 6.785 1.00 0.39 H new ATOM 0 HA LYS A 54 0.813 8.014 9.450 1.00 0.44 H new ATOM 0 HB2 LYS A 54 2.991 8.426 8.069 1.00 0.48 H new ATOM 0 HB3 LYS A 54 2.055 9.590 7.152 1.00 0.48 H new ATOM 0 HG2 LYS A 54 1.490 10.825 9.244 1.00 0.95 H new ATOM 0 HG3 LYS A 54 2.344 9.633 10.202 1.00 0.95 H new ATOM 0 HD2 LYS A 54 4.471 10.171 8.953 1.00 1.29 H new ATOM 0 HD3 LYS A 54 3.610 11.386 8.029 1.00 1.29 H new ATOM 0 HE2 LYS A 54 4.163 12.843 9.705 1.00 1.92 H new ATOM 0 HE3 LYS A 54 2.914 12.054 10.647 1.00 1.92 H new ATOM 0 HZ1 LYS A 54 5.020 12.085 11.833 1.00 2.78 H new ATOM 0 HZ2 LYS A 54 4.575 10.484 11.482 1.00 2.78 H new ATOM 0 HZ3 LYS A 54 5.785 11.249 10.569 1.00 2.78 H new ATOM 864 N GLU A 55 -1.037 8.793 6.981 1.00 0.39 N ATOM 865 CA GLU A 55 -2.247 9.578 6.581 1.00 0.40 C ATOM 866 C GLU A 55 -3.521 8.833 6.993 1.00 0.40 C ATOM 867 O GLU A 55 -3.619 7.632 6.842 1.00 0.39 O ATOM 868 CB GLU A 55 -2.240 9.783 5.069 1.00 0.38 C ATOM 869 CG GLU A 55 -0.907 10.405 4.648 1.00 0.41 C ATOM 870 CD GLU A 55 -1.167 11.763 3.992 1.00 0.97 C ATOM 871 OE1 GLU A 55 -1.791 12.574 4.657 1.00 1.65 O ATOM 872 OE2 GLU A 55 -0.728 11.913 2.864 1.00 1.43 O ATOM 0 H GLU A 55 -0.800 8.010 6.371 1.00 0.39 H new ATOM 0 HA GLU A 55 -2.227 10.545 7.083 1.00 0.40 H new ATOM 0 HB2 GLU A 55 -2.386 8.830 4.561 1.00 0.38 H new ATOM 0 HB3 GLU A 55 -3.066 10.431 4.775 1.00 0.38 H new ATOM 0 HG2 GLU A 55 -0.259 10.526 5.516 1.00 0.41 H new ATOM 0 HG3 GLU A 55 -0.388 9.745 3.952 1.00 0.41 H new ATOM 879 N ASN A 56 -4.472 9.567 7.496 1.00 0.44 N ATOM 880 CA ASN A 56 -5.742 8.920 7.938 1.00 0.45 C ATOM 881 C ASN A 56 -6.509 8.333 6.747 1.00 0.42 C ATOM 882 O ASN A 56 -7.066 7.258 6.844 1.00 0.42 O ATOM 883 CB ASN A 56 -6.613 9.963 8.636 1.00 0.50 C ATOM 884 CG ASN A 56 -6.353 9.913 10.143 1.00 1.15 C ATOM 885 OD1 ASN A 56 -5.331 9.435 10.593 1.00 1.86 O ATOM 886 ND2 ASN A 56 -7.251 10.397 10.956 1.00 1.95 N ATOM 0 H ASN A 56 -4.429 10.578 7.621 1.00 0.44 H new ATOM 0 HA ASN A 56 -5.499 8.106 8.621 1.00 0.45 H new ATOM 0 HB2 ASN A 56 -6.389 10.957 8.250 1.00 0.50 H new ATOM 0 HB3 ASN A 56 -7.666 9.770 8.431 1.00 0.50 H new ATOM 0 HD21 ASN A 56 -7.093 10.373 11.963 1.00 1.95 H new ATOM 0 HD22 ASN A 56 -8.111 10.800 10.584 1.00 1.95 H new ATOM 893 N TRP A 57 -6.527 9.041 5.647 1.00 0.41 N ATOM 894 CA TRP A 57 -7.276 8.509 4.469 1.00 0.39 C ATOM 895 C TRP A 57 -6.660 7.193 3.992 1.00 0.35 C ATOM 896 O TRP A 57 -7.310 6.412 3.332 1.00 0.36 O ATOM 897 CB TRP A 57 -7.276 9.535 3.328 1.00 0.39 C ATOM 898 CG TRP A 57 -5.842 9.858 2.883 1.00 0.37 C ATOM 899 CD1 TRP A 57 -5.146 10.907 3.314 1.00 0.40 C ATOM 900 CD2 TRP A 57 -5.150 9.175 1.984 1.00 0.34 C ATOM 901 NE1 TRP A 57 -3.995 10.832 2.628 1.00 0.38 N ATOM 902 CE2 TRP A 57 -3.916 9.766 1.764 1.00 0.35 C ATOM 903 CE3 TRP A 57 -5.489 8.027 1.289 1.00 0.32 C ATOM 904 CZ2 TRP A 57 -3.031 9.216 0.859 1.00 0.34 C ATOM 905 CZ3 TRP A 57 -4.599 7.477 0.384 1.00 0.30 C ATOM 906 CH2 TRP A 57 -3.372 8.071 0.170 1.00 0.32 C ATOM 0 H TRP A 57 -6.068 9.942 5.514 1.00 0.41 H new ATOM 0 HA TRP A 57 -8.306 8.322 4.773 1.00 0.39 H new ATOM 0 HB2 TRP A 57 -7.844 9.146 2.483 1.00 0.39 H new ATOM 0 HB3 TRP A 57 -7.774 10.448 3.654 1.00 0.39 H new ATOM 0 HD1 TRP A 57 -5.439 11.646 4.045 1.00 0.40 H new ATOM 0 HE1 TRP A 57 -3.241 11.510 2.739 1.00 0.38 H new ATOM 0 HE3 TRP A 57 -6.449 7.560 1.453 1.00 0.32 H new ATOM 0 HZ2 TRP A 57 -2.072 9.682 0.690 1.00 0.34 H new ATOM 0 HZ3 TRP A 57 -4.865 6.581 -0.156 1.00 0.30 H new ATOM 0 HH2 TRP A 57 -2.679 7.639 -0.537 1.00 0.32 H new ATOM 917 N VAL A 58 -5.424 6.966 4.335 1.00 0.34 N ATOM 918 CA VAL A 58 -4.783 5.692 3.899 1.00 0.31 C ATOM 919 C VAL A 58 -5.305 4.545 4.754 1.00 0.32 C ATOM 920 O VAL A 58 -5.555 3.461 4.265 1.00 0.31 O ATOM 921 CB VAL A 58 -3.266 5.805 4.063 1.00 0.31 C ATOM 922 CG1 VAL A 58 -2.661 4.407 4.176 1.00 0.30 C ATOM 923 CG2 VAL A 58 -2.679 6.511 2.844 1.00 0.31 C ATOM 0 H VAL A 58 -4.838 7.592 4.887 1.00 0.34 H new ATOM 0 HA VAL A 58 -5.021 5.502 2.853 1.00 0.31 H new ATOM 0 HB VAL A 58 -3.038 6.375 4.964 1.00 0.31 H new ATOM 0 HG11 VAL A 58 -1.580 4.487 4.293 1.00 0.30 H new ATOM 0 HG12 VAL A 58 -3.083 3.897 5.042 1.00 0.30 H new ATOM 0 HG13 VAL A 58 -2.887 3.839 3.274 1.00 0.30 H new ATOM 0 HG21 VAL A 58 -1.598 6.594 2.957 1.00 0.31 H new ATOM 0 HG22 VAL A 58 -2.907 5.937 1.946 1.00 0.31 H new ATOM 0 HG23 VAL A 58 -3.112 7.508 2.757 1.00 0.31 H new ATOM 933 N GLN A 59 -5.461 4.811 6.015 1.00 0.36 N ATOM 934 CA GLN A 59 -5.976 3.756 6.922 1.00 0.38 C ATOM 935 C GLN A 59 -7.437 3.453 6.581 1.00 0.38 C ATOM 936 O GLN A 59 -7.951 2.409 6.915 1.00 0.40 O ATOM 937 CB GLN A 59 -5.885 4.256 8.364 1.00 0.42 C ATOM 938 CG GLN A 59 -5.912 3.059 9.314 1.00 0.45 C ATOM 939 CD GLN A 59 -5.802 3.556 10.756 1.00 1.23 C ATOM 940 OE1 GLN A 59 -5.991 4.722 11.039 1.00 1.92 O ATOM 941 NE2 GLN A 59 -5.498 2.705 11.698 1.00 2.03 N ATOM 0 H GLN A 59 -5.256 5.708 6.456 1.00 0.36 H new ATOM 0 HA GLN A 59 -5.384 2.848 6.804 1.00 0.38 H new ATOM 0 HB2 GLN A 59 -4.968 4.828 8.506 1.00 0.42 H new ATOM 0 HB3 GLN A 59 -6.716 4.927 8.582 1.00 0.42 H new ATOM 0 HG2 GLN A 59 -6.835 2.495 9.181 1.00 0.45 H new ATOM 0 HG3 GLN A 59 -5.089 2.381 9.087 1.00 0.45 H new ATOM 0 HE21 GLN A 59 -5.338 1.724 11.467 1.00 2.03 H new ATOM 0 HE22 GLN A 59 -5.420 3.021 12.665 1.00 2.03 H new ATOM 950 N ARG A 60 -8.068 4.375 5.905 1.00 0.38 N ATOM 951 CA ARG A 60 -9.502 4.172 5.546 1.00 0.39 C ATOM 952 C ARG A 60 -9.642 3.416 4.217 1.00 0.36 C ATOM 953 O ARG A 60 -10.230 2.354 4.172 1.00 0.38 O ATOM 954 CB ARG A 60 -10.179 5.535 5.426 1.00 0.41 C ATOM 955 CG ARG A 60 -11.473 5.530 6.241 1.00 0.86 C ATOM 956 CD ARG A 60 -12.153 6.894 6.113 1.00 1.03 C ATOM 957 NE ARG A 60 -13.610 6.734 6.373 1.00 1.78 N ATOM 958 CZ ARG A 60 -14.214 7.573 7.168 1.00 2.17 C ATOM 959 NH1 ARG A 60 -13.941 8.845 7.070 1.00 2.50 N ATOM 960 NH2 ARG A 60 -15.073 7.111 8.035 1.00 2.82 N ATOM 0 H ARG A 60 -7.657 5.253 5.588 1.00 0.38 H new ATOM 0 HA ARG A 60 -9.975 3.577 6.327 1.00 0.39 H new ATOM 0 HB2 ARG A 60 -9.512 6.318 5.786 1.00 0.41 H new ATOM 0 HB3 ARG A 60 -10.395 5.756 4.381 1.00 0.41 H new ATOM 0 HG2 ARG A 60 -12.138 4.744 5.885 1.00 0.86 H new ATOM 0 HG3 ARG A 60 -11.257 5.315 7.287 1.00 0.86 H new ATOM 0 HD2 ARG A 60 -11.719 7.599 6.822 1.00 1.03 H new ATOM 0 HD3 ARG A 60 -11.991 7.304 5.116 1.00 1.03 H new ATOM 0 HE ARG A 60 -14.131 5.975 5.933 1.00 1.78 H new ATOM 0 HH11 ARG A 60 -13.264 9.170 6.379 1.00 2.50 H new ATOM 0 HH12 ARG A 60 -14.404 9.515 7.684 1.00 2.50 H new ATOM 0 HH21 ARG A 60 -15.262 6.110 8.082 1.00 2.82 H new ATOM 0 HH22 ARG A 60 -15.556 7.751 8.666 1.00 2.82 H new ATOM 974 N VAL A 61 -9.103 3.972 3.160 1.00 0.32 N ATOM 975 CA VAL A 61 -9.228 3.285 1.848 1.00 0.29 C ATOM 976 C VAL A 61 -8.635 1.876 1.952 1.00 0.27 C ATOM 977 O VAL A 61 -9.099 0.952 1.311 1.00 0.26 O ATOM 978 CB VAL A 61 -8.492 4.104 0.785 1.00 0.28 C ATOM 979 CG1 VAL A 61 -9.039 5.537 0.788 1.00 0.36 C ATOM 980 CG2 VAL A 61 -6.996 4.122 1.111 1.00 0.33 C ATOM 0 H VAL A 61 -8.592 4.855 3.152 1.00 0.32 H new ATOM 0 HA VAL A 61 -10.277 3.199 1.566 1.00 0.29 H new ATOM 0 HB VAL A 61 -8.643 3.660 -0.199 1.00 0.28 H new ATOM 0 HG11 VAL A 61 -8.519 6.127 0.033 1.00 0.36 H new ATOM 0 HG12 VAL A 61 -10.106 5.520 0.564 1.00 0.36 H new ATOM 0 HG13 VAL A 61 -8.882 5.984 1.769 1.00 0.36 H new ATOM 0 HG21 VAL A 61 -6.466 4.704 0.357 1.00 0.33 H new ATOM 0 HG22 VAL A 61 -6.843 4.573 2.091 1.00 0.33 H new ATOM 0 HG23 VAL A 61 -6.613 3.102 1.117 1.00 0.33 H new ATOM 990 N VAL A 62 -7.627 1.739 2.767 1.00 0.28 N ATOM 991 CA VAL A 62 -7.011 0.395 2.941 1.00 0.28 C ATOM 992 C VAL A 62 -7.931 -0.476 3.800 1.00 0.30 C ATOM 993 O VAL A 62 -8.107 -1.648 3.535 1.00 0.29 O ATOM 994 CB VAL A 62 -5.654 0.545 3.628 1.00 0.30 C ATOM 995 CG1 VAL A 62 -5.108 -0.842 3.973 1.00 0.31 C ATOM 996 CG2 VAL A 62 -4.681 1.245 2.676 1.00 0.31 C ATOM 0 H VAL A 62 -7.207 2.490 3.314 1.00 0.28 H new ATOM 0 HA VAL A 62 -6.873 -0.075 1.968 1.00 0.28 H new ATOM 0 HB VAL A 62 -5.767 1.134 4.538 1.00 0.30 H new ATOM 0 HG11 VAL A 62 -4.140 -0.740 4.463 1.00 0.31 H new ATOM 0 HG12 VAL A 62 -5.802 -1.350 4.642 1.00 0.31 H new ATOM 0 HG13 VAL A 62 -4.992 -1.425 3.059 1.00 0.31 H new ATOM 0 HG21 VAL A 62 -3.712 1.354 3.162 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -4.568 0.650 1.770 1.00 0.31 H new ATOM 0 HG23 VAL A 62 -5.070 2.230 2.417 1.00 0.31 H new ATOM 1006 N GLU A 63 -8.501 0.122 4.816 1.00 0.33 N ATOM 1007 CA GLU A 63 -9.424 -0.653 5.695 1.00 0.36 C ATOM 1008 C GLU A 63 -10.597 -1.184 4.873 1.00 0.33 C ATOM 1009 O GLU A 63 -11.022 -2.308 5.047 1.00 0.35 O ATOM 1010 CB GLU A 63 -9.957 0.260 6.799 1.00 0.41 C ATOM 1011 CG GLU A 63 -11.066 -0.470 7.559 1.00 0.50 C ATOM 1012 CD GLU A 63 -11.144 0.075 8.986 1.00 1.25 C ATOM 1013 OE1 GLU A 63 -11.746 1.127 9.131 1.00 1.92 O ATOM 1014 OE2 GLU A 63 -10.595 -0.589 9.850 1.00 1.89 O ATOM 0 H GLU A 63 -8.369 1.101 5.071 1.00 0.33 H new ATOM 0 HA GLU A 63 -8.882 -1.490 6.136 1.00 0.36 H new ATOM 0 HB2 GLU A 63 -9.152 0.535 7.481 1.00 0.41 H new ATOM 0 HB3 GLU A 63 -10.341 1.185 6.369 1.00 0.41 H new ATOM 0 HG2 GLU A 63 -12.021 -0.333 7.052 1.00 0.50 H new ATOM 0 HG3 GLU A 63 -10.866 -1.541 7.577 1.00 0.50 H new ATOM 1021 N LYS A 64 -11.096 -0.361 3.990 1.00 0.31 N ATOM 1022 CA LYS A 64 -12.240 -0.806 3.152 1.00 0.31 C ATOM 1023 C LYS A 64 -11.823 -2.001 2.291 1.00 0.27 C ATOM 1024 O LYS A 64 -12.571 -2.946 2.138 1.00 0.28 O ATOM 1025 CB LYS A 64 -12.688 0.347 2.255 1.00 0.32 C ATOM 1026 CG LYS A 64 -13.903 1.029 2.890 1.00 0.47 C ATOM 1027 CD LYS A 64 -14.321 2.221 2.027 1.00 1.04 C ATOM 1028 CE LYS A 64 -15.481 2.948 2.710 1.00 1.37 C ATOM 1029 NZ LYS A 64 -16.356 3.602 1.697 1.00 1.84 N ATOM 0 H LYS A 64 -10.764 0.588 3.816 1.00 0.31 H new ATOM 0 HA LYS A 64 -13.065 -1.107 3.797 1.00 0.31 H new ATOM 0 HB2 LYS A 64 -11.877 1.064 2.130 1.00 0.32 H new ATOM 0 HB3 LYS A 64 -12.941 -0.025 1.262 1.00 0.32 H new ATOM 0 HG2 LYS A 64 -14.728 0.321 2.977 1.00 0.47 H new ATOM 0 HG3 LYS A 64 -13.661 1.363 3.899 1.00 0.47 H new ATOM 0 HD2 LYS A 64 -13.479 2.900 1.890 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -14.621 1.881 1.036 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -16.064 2.241 3.300 1.00 1.37 H new ATOM 0 HE3 LYS A 64 -15.093 3.696 3.401 1.00 1.37 H new ATOM 0 HZ1 LYS A 64 -17.138 4.091 2.178 1.00 1.84 H new ATOM 0 HZ2 LYS A 64 -15.800 4.291 1.151 1.00 1.84 H new ATOM 0 HZ3 LYS A 64 -16.741 2.881 1.054 1.00 1.84 H new ATOM 1043 N PHE A 65 -10.635 -1.938 1.746 1.00 0.24 N ATOM 1044 CA PHE A 65 -10.168 -3.077 0.904 1.00 0.21 C ATOM 1045 C PHE A 65 -10.249 -4.384 1.695 1.00 0.24 C ATOM 1046 O PHE A 65 -10.702 -5.390 1.188 1.00 0.25 O ATOM 1047 CB PHE A 65 -8.730 -2.845 0.477 1.00 0.19 C ATOM 1048 CG PHE A 65 -8.255 -4.062 -0.322 1.00 0.17 C ATOM 1049 CD1 PHE A 65 -8.751 -4.305 -1.592 1.00 0.18 C ATOM 1050 CD2 PHE A 65 -7.326 -4.938 0.213 1.00 0.19 C ATOM 1051 CE1 PHE A 65 -8.325 -5.405 -2.311 1.00 0.18 C ATOM 1052 CE2 PHE A 65 -6.903 -6.038 -0.509 1.00 0.19 C ATOM 1053 CZ PHE A 65 -7.403 -6.271 -1.768 1.00 0.17 C ATOM 0 H PHE A 65 -9.980 -1.162 1.845 1.00 0.24 H new ATOM 0 HA PHE A 65 -10.807 -3.145 0.024 1.00 0.21 H new ATOM 0 HB2 PHE A 65 -8.656 -1.942 -0.129 1.00 0.19 H new ATOM 0 HB3 PHE A 65 -8.096 -2.695 1.351 1.00 0.19 H new ATOM 0 HD1 PHE A 65 -9.476 -3.630 -2.023 1.00 0.18 H new ATOM 0 HD2 PHE A 65 -6.929 -4.761 1.202 1.00 0.19 H new ATOM 0 HE1 PHE A 65 -8.716 -5.586 -3.301 1.00 0.18 H new ATOM 0 HE2 PHE A 65 -6.178 -6.716 -0.083 1.00 0.19 H new ATOM 0 HZ PHE A 65 -7.073 -7.132 -2.330 1.00 0.17 H new ATOM 1063 N LEU A 66 -9.806 -4.342 2.923 1.00 0.29 N ATOM 1064 CA LEU A 66 -9.848 -5.577 3.760 1.00 0.35 C ATOM 1065 C LEU A 66 -11.300 -5.982 4.035 1.00 0.35 C ATOM 1066 O LEU A 66 -11.652 -7.142 3.946 1.00 0.37 O ATOM 1067 CB LEU A 66 -9.133 -5.307 5.083 1.00 0.44 C ATOM 1068 CG LEU A 66 -7.646 -5.628 4.926 1.00 0.61 C ATOM 1069 CD1 LEU A 66 -6.844 -4.802 5.933 1.00 1.12 C ATOM 1070 CD2 LEU A 66 -7.418 -7.116 5.201 1.00 0.77 C ATOM 0 H LEU A 66 -9.421 -3.515 3.380 1.00 0.29 H new ATOM 0 HA LEU A 66 -9.352 -6.389 3.228 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -9.263 -4.265 5.374 1.00 0.44 H new ATOM 0 HB3 LEU A 66 -9.567 -5.916 5.876 1.00 0.44 H new ATOM 0 HG LEU A 66 -7.324 -5.388 3.913 1.00 0.61 H new ATOM 0 HD11 LEU A 66 -5.783 -5.027 5.825 1.00 1.12 H new ATOM 0 HD12 LEU A 66 -7.010 -3.741 5.748 1.00 1.12 H new ATOM 0 HD13 LEU A 66 -7.166 -5.049 6.945 1.00 1.12 H new ATOM 0 HD21 LEU A 66 -6.359 -7.348 5.090 1.00 0.77 H new ATOM 0 HD22 LEU A 66 -7.737 -7.351 6.216 1.00 0.77 H new ATOM 0 HD23 LEU A 66 -7.996 -7.710 4.493 1.00 0.77 H new ATOM 1082 N LYS A 67 -12.113 -5.016 4.367 1.00 0.38 N ATOM 1083 CA LYS A 67 -13.544 -5.328 4.651 1.00 0.42 C ATOM 1084 C LYS A 67 -14.251 -5.781 3.369 1.00 0.39 C ATOM 1085 O LYS A 67 -15.226 -6.505 3.417 1.00 0.44 O ATOM 1086 CB LYS A 67 -14.229 -4.077 5.196 1.00 0.48 C ATOM 1087 CG LYS A 67 -15.217 -4.483 6.291 1.00 0.95 C ATOM 1088 CD LYS A 67 -16.182 -3.324 6.548 1.00 1.34 C ATOM 1089 CE LYS A 67 -17.193 -3.748 7.607 1.00 1.63 C ATOM 1090 NZ LYS A 67 -17.996 -2.587 8.083 1.00 2.28 N ATOM 0 H LYS A 67 -11.853 -4.034 4.453 1.00 0.38 H new ATOM 0 HA LYS A 67 -13.598 -6.132 5.386 1.00 0.42 H new ATOM 0 HB2 LYS A 67 -13.487 -3.386 5.597 1.00 0.48 H new ATOM 0 HB3 LYS A 67 -14.751 -3.554 4.394 1.00 0.48 H new ATOM 0 HG2 LYS A 67 -15.770 -5.372 5.988 1.00 0.95 H new ATOM 0 HG3 LYS A 67 -14.681 -4.737 7.206 1.00 0.95 H new ATOM 0 HD2 LYS A 67 -15.633 -2.444 6.882 1.00 1.34 H new ATOM 0 HD3 LYS A 67 -16.695 -3.049 5.626 1.00 1.34 H new ATOM 0 HE2 LYS A 67 -17.857 -4.508 7.195 1.00 1.63 H new ATOM 0 HE3 LYS A 67 -16.672 -4.202 8.449 1.00 1.63 H new ATOM 0 HZ1 LYS A 67 -18.675 -2.906 8.803 1.00 2.28 H new ATOM 0 HZ2 LYS A 67 -17.363 -1.873 8.497 1.00 2.28 H new ATOM 0 HZ3 LYS A 67 -18.511 -2.170 7.282 1.00 2.28 H new ATOM 1104 N ARG A 68 -13.743 -5.343 2.248 1.00 0.34 N ATOM 1105 CA ARG A 68 -14.373 -5.738 0.954 1.00 0.35 C ATOM 1106 C ARG A 68 -13.877 -7.122 0.521 1.00 0.34 C ATOM 1107 O ARG A 68 -14.653 -7.958 0.104 1.00 0.39 O ATOM 1108 CB ARG A 68 -14.005 -4.709 -0.113 1.00 0.35 C ATOM 1109 CG ARG A 68 -14.609 -5.136 -1.452 1.00 0.43 C ATOM 1110 CD ARG A 68 -15.190 -3.908 -2.156 1.00 0.98 C ATOM 1111 NE ARG A 68 -15.414 -4.235 -3.593 1.00 1.58 N ATOM 1112 CZ ARG A 68 -16.305 -3.567 -4.272 1.00 2.23 C ATOM 1113 NH1 ARG A 68 -16.878 -2.535 -3.715 1.00 2.78 N ATOM 1114 NH2 ARG A 68 -16.593 -3.952 -5.485 1.00 2.91 N ATOM 0 H ARG A 68 -12.928 -4.735 2.171 1.00 0.34 H new ATOM 0 HA ARG A 68 -15.455 -5.777 1.079 1.00 0.35 H new ATOM 0 HB2 ARG A 68 -14.377 -3.724 0.170 1.00 0.35 H new ATOM 0 HB3 ARG A 68 -12.921 -4.628 -0.199 1.00 0.35 H new ATOM 0 HG2 ARG A 68 -13.847 -5.601 -2.077 1.00 0.43 H new ATOM 0 HG3 ARG A 68 -15.388 -5.881 -1.292 1.00 0.43 H new ATOM 0 HD2 ARG A 68 -16.128 -3.613 -1.686 1.00 0.98 H new ATOM 0 HD3 ARG A 68 -14.508 -3.063 -2.064 1.00 0.98 H new ATOM 0 HE ARG A 68 -14.875 -4.975 -4.042 1.00 1.58 H new ATOM 0 HH11 ARG A 68 -16.627 -2.263 -2.765 1.00 2.78 H new ATOM 0 HH12 ARG A 68 -17.577 -2.000 -4.230 1.00 2.78 H new ATOM 0 HH21 ARG A 68 -16.124 -4.763 -5.887 1.00 2.91 H new ATOM 0 HH22 ARG A 68 -17.287 -3.442 -6.031 1.00 2.91 H new ATOM 1128 N ALA A 69 -12.594 -7.334 0.631 1.00 0.30 N ATOM 1129 CA ALA A 69 -12.034 -8.659 0.230 1.00 0.32 C ATOM 1130 C ALA A 69 -12.485 -9.740 1.219 1.00 0.38 C ATOM 1131 O ALA A 69 -12.515 -10.910 0.892 1.00 0.42 O ATOM 1132 CB ALA A 69 -10.507 -8.577 0.222 1.00 0.29 C ATOM 0 H ALA A 69 -11.915 -6.656 0.977 1.00 0.30 H new ATOM 0 HA ALA A 69 -12.395 -8.917 -0.766 1.00 0.32 H new ATOM 0 HB1 ALA A 69 -10.092 -9.542 -0.070 1.00 0.29 H new ATOM 0 HB2 ALA A 69 -10.187 -7.815 -0.488 1.00 0.29 H new ATOM 0 HB3 ALA A 69 -10.151 -8.316 1.219 1.00 0.29 H new ATOM 1138 N GLU A 70 -12.827 -9.322 2.407 1.00 0.42 N ATOM 1139 CA GLU A 70 -13.280 -10.309 3.429 1.00 0.50 C ATOM 1140 C GLU A 70 -14.765 -10.631 3.228 1.00 0.54 C ATOM 1141 O GLU A 70 -15.175 -11.771 3.323 1.00 0.60 O ATOM 1142 CB GLU A 70 -13.069 -9.720 4.823 1.00 0.52 C ATOM 1143 CG GLU A 70 -13.473 -10.756 5.875 1.00 0.66 C ATOM 1144 CD GLU A 70 -13.138 -10.221 7.268 1.00 1.17 C ATOM 1145 OE1 GLU A 70 -11.968 -10.291 7.608 1.00 1.85 O ATOM 1146 OE2 GLU A 70 -14.071 -9.772 7.915 1.00 1.85 O ATOM 0 H GLU A 70 -12.813 -8.349 2.713 1.00 0.42 H new ATOM 0 HA GLU A 70 -12.702 -11.227 3.324 1.00 0.50 H new ATOM 0 HB2 GLU A 70 -12.025 -9.437 4.957 1.00 0.52 H new ATOM 0 HB3 GLU A 70 -13.663 -8.814 4.941 1.00 0.52 H new ATOM 0 HG2 GLU A 70 -14.540 -10.968 5.802 1.00 0.66 H new ATOM 0 HG3 GLU A 70 -12.948 -11.695 5.698 1.00 0.66 H new ATOM 1153 N ASN A 71 -15.539 -9.616 2.956 1.00 0.54 N ATOM 1154 CA ASN A 71 -16.998 -9.842 2.745 1.00 0.61 C ATOM 1155 C ASN A 71 -17.233 -10.591 1.429 1.00 0.65 C ATOM 1156 O ASN A 71 -18.214 -11.289 1.275 1.00 0.80 O ATOM 1157 CB ASN A 71 -17.711 -8.492 2.698 1.00 0.66 C ATOM 1158 CG ASN A 71 -19.136 -8.690 2.179 1.00 0.78 C ATOM 1159 OD1 ASN A 71 -19.359 -8.862 0.998 1.00 1.20 O ATOM 1160 ND2 ASN A 71 -20.126 -8.672 3.028 1.00 1.42 N ATOM 0 H ASN A 71 -15.228 -8.648 2.871 1.00 0.54 H new ATOM 0 HA ASN A 71 -17.391 -10.442 3.566 1.00 0.61 H new ATOM 0 HB2 ASN A 71 -17.733 -8.045 3.692 1.00 0.66 H new ATOM 0 HB3 ASN A 71 -17.168 -7.804 2.050 1.00 0.66 H new ATOM 0 HD21 ASN A 71 -21.083 -8.802 2.699 1.00 1.42 H new ATOM 0 HD22 ASN A 71 -19.944 -8.528 4.021 1.00 1.42 H new ATOM 1167 N SER A 72 -16.324 -10.426 0.507 1.00 0.57 N ATOM 1168 CA SER A 72 -16.477 -11.121 -0.805 1.00 0.64 C ATOM 1169 C SER A 72 -16.544 -12.638 -0.595 1.00 0.84 C ATOM 1170 O SER A 72 -16.384 -13.329 -1.587 1.00 1.43 O ATOM 1171 CB SER A 72 -15.281 -10.782 -1.693 1.00 0.65 C ATOM 1172 OG SER A 72 -15.837 -10.667 -2.994 1.00 1.32 O ATOM 1173 OXT SER A 72 -16.751 -13.017 0.546 1.00 1.42 O ATOM 0 H SER A 72 -15.490 -9.847 0.602 1.00 0.57 H new ATOM 0 HA SER A 72 -17.400 -10.790 -1.282 1.00 0.64 H new ATOM 0 HB2 SER A 72 -14.803 -9.854 -1.380 1.00 0.65 H new ATOM 0 HB3 SER A 72 -14.520 -11.562 -1.652 1.00 0.65 H new ATOM 0 HG SER A 72 -15.129 -10.446 -3.634 1.00 1.32 H new TER 1179 SER A 72 ATOM 1180 N ALA B 2 -8.795 -15.691 -22.491 1.00 5.91 N ATOM 1181 CA ALA B 2 -10.053 -15.850 -21.704 1.00 5.70 C ATOM 1182 C ALA B 2 -10.591 -17.272 -21.885 1.00 5.15 C ATOM 1183 O ALA B 2 -11.574 -17.481 -22.570 1.00 5.42 O ATOM 1184 CB ALA B 2 -11.108 -14.849 -22.170 1.00 6.12 C ATOM 0 HA ALA B 2 -9.833 -15.666 -20.653 1.00 5.70 H new ATOM 0 HB1 ALA B 2 -12.018 -14.980 -21.585 1.00 6.12 H new ATOM 0 HB2 ALA B 2 -10.732 -13.835 -22.034 1.00 6.12 H new ATOM 0 HB3 ALA B 2 -11.328 -15.016 -23.224 1.00 6.12 H new ATOM 1189 N LYS B 3 -9.931 -18.218 -21.265 1.00 4.74 N ATOM 1190 CA LYS B 3 -10.381 -19.642 -21.380 1.00 4.44 C ATOM 1191 C LYS B 3 -10.465 -20.282 -19.990 1.00 3.72 C ATOM 1192 O LYS B 3 -11.535 -20.616 -19.521 1.00 3.93 O ATOM 1193 CB LYS B 3 -9.384 -20.427 -22.245 1.00 5.01 C ATOM 1194 CG LYS B 3 -8.468 -19.449 -23.004 1.00 5.72 C ATOM 1195 CD LYS B 3 -7.462 -18.807 -22.034 1.00 6.38 C ATOM 1196 CE LYS B 3 -6.040 -19.134 -22.496 1.00 7.00 C ATOM 1197 NZ LYS B 3 -5.846 -20.609 -22.587 1.00 7.41 N ATOM 0 H LYS B 3 -9.104 -18.069 -20.687 1.00 4.74 H new ATOM 0 HA LYS B 3 -11.367 -19.666 -21.843 1.00 4.44 H new ATOM 0 HB2 LYS B 3 -8.785 -21.087 -21.617 1.00 5.01 H new ATOM 0 HB3 LYS B 3 -9.921 -21.059 -22.952 1.00 5.01 H new ATOM 0 HG2 LYS B 3 -7.936 -19.977 -23.796 1.00 5.72 H new ATOM 0 HG3 LYS B 3 -9.067 -18.675 -23.484 1.00 5.72 H new ATOM 0 HD2 LYS B 3 -7.608 -17.727 -22.002 1.00 6.38 H new ATOM 0 HD3 LYS B 3 -7.624 -19.181 -21.023 1.00 6.38 H new ATOM 0 HE2 LYS B 3 -5.853 -18.676 -23.467 1.00 7.00 H new ATOM 0 HE3 LYS B 3 -5.318 -18.709 -21.799 1.00 7.00 H new ATOM 0 HZ1 LYS B 3 -4.872 -20.849 -22.313 1.00 7.41 H new ATOM 0 HZ2 LYS B 3 -6.513 -21.087 -21.948 1.00 7.41 H new ATOM 0 HZ3 LYS B 3 -6.018 -20.922 -23.564 1.00 7.41 H new ATOM 1211 N GLU B 4 -9.332 -20.438 -19.359 1.00 3.22 N ATOM 1212 CA GLU B 4 -9.327 -21.054 -17.999 1.00 2.71 C ATOM 1213 C GLU B 4 -8.258 -20.392 -17.122 1.00 2.35 C ATOM 1214 O GLU B 4 -7.100 -20.338 -17.488 1.00 2.67 O ATOM 1215 CB GLU B 4 -9.027 -22.546 -18.127 1.00 3.04 C ATOM 1216 CG GLU B 4 -9.965 -23.157 -19.168 1.00 3.68 C ATOM 1217 CD GLU B 4 -9.888 -24.683 -19.087 1.00 4.08 C ATOM 1218 OE1 GLU B 4 -9.161 -25.144 -18.223 1.00 4.41 O ATOM 1219 OE2 GLU B 4 -10.562 -25.302 -19.893 1.00 4.37 O ATOM 0 H GLU B 4 -8.417 -20.169 -19.721 1.00 3.22 H new ATOM 0 HA GLU B 4 -10.303 -20.909 -17.536 1.00 2.71 H new ATOM 0 HB2 GLU B 4 -7.989 -22.697 -18.422 1.00 3.04 H new ATOM 0 HB3 GLU B 4 -9.160 -23.040 -17.165 1.00 3.04 H new ATOM 0 HG2 GLU B 4 -10.988 -22.824 -18.992 1.00 3.68 H new ATOM 0 HG3 GLU B 4 -9.687 -22.820 -20.167 1.00 3.68 H new ATOM 1226 N LEU B 5 -8.676 -19.904 -15.982 1.00 2.28 N ATOM 1227 CA LEU B 5 -7.706 -19.239 -15.054 1.00 2.32 C ATOM 1228 C LEU B 5 -7.893 -19.777 -13.632 1.00 1.52 C ATOM 1229 O LEU B 5 -8.999 -19.841 -13.133 1.00 1.69 O ATOM 1230 CB LEU B 5 -7.957 -17.733 -15.065 1.00 3.39 C ATOM 1231 CG LEU B 5 -7.552 -17.161 -16.425 1.00 4.32 C ATOM 1232 CD1 LEU B 5 -8.721 -16.360 -17.001 1.00 5.10 C ATOM 1233 CD2 LEU B 5 -6.348 -16.235 -16.243 1.00 5.08 C ATOM 0 H LEU B 5 -9.641 -19.936 -15.653 1.00 2.28 H new ATOM 0 HA LEU B 5 -6.688 -19.447 -15.383 1.00 2.32 H new ATOM 0 HB2 LEU B 5 -9.009 -17.527 -14.870 1.00 3.39 H new ATOM 0 HB3 LEU B 5 -7.386 -17.252 -14.271 1.00 3.39 H new ATOM 0 HG LEU B 5 -7.292 -17.973 -17.104 1.00 4.32 H new ATOM 0 HD11 LEU B 5 -8.438 -15.950 -17.970 1.00 5.10 H new ATOM 0 HD12 LEU B 5 -9.585 -17.013 -17.121 1.00 5.10 H new ATOM 0 HD13 LEU B 5 -8.974 -15.546 -16.322 1.00 5.10 H new ATOM 0 HD21 LEU B 5 -6.055 -15.825 -17.209 1.00 5.08 H new ATOM 0 HD22 LEU B 5 -6.614 -15.421 -15.569 1.00 5.08 H new ATOM 0 HD23 LEU B 5 -5.516 -16.799 -15.821 1.00 5.08 H new ATOM 1245 N ARG B 6 -6.807 -20.151 -13.009 1.00 1.26 N ATOM 1246 CA ARG B 6 -6.910 -20.698 -11.623 1.00 0.80 C ATOM 1247 C ARG B 6 -6.616 -19.605 -10.592 1.00 0.64 C ATOM 1248 O ARG B 6 -5.918 -18.651 -10.873 1.00 0.62 O ATOM 1249 CB ARG B 6 -5.900 -21.839 -11.439 1.00 1.42 C ATOM 1250 CG ARG B 6 -5.686 -22.578 -12.767 1.00 1.65 C ATOM 1251 CD ARG B 6 -7.019 -23.142 -13.256 1.00 2.03 C ATOM 1252 NE ARG B 6 -6.748 -24.224 -14.245 1.00 2.55 N ATOM 1253 CZ ARG B 6 -6.982 -25.465 -13.917 1.00 3.09 C ATOM 1254 NH1 ARG B 6 -8.169 -25.960 -14.134 1.00 3.67 N ATOM 1255 NH2 ARG B 6 -6.021 -26.170 -13.384 1.00 3.44 N ATOM 0 H ARG B 6 -5.863 -20.103 -13.393 1.00 1.26 H new ATOM 0 HA ARG B 6 -7.924 -21.070 -11.474 1.00 0.80 H new ATOM 0 HB2 ARG B 6 -4.951 -21.440 -11.080 1.00 1.42 H new ATOM 0 HB3 ARG B 6 -6.261 -22.535 -10.681 1.00 1.42 H new ATOM 0 HG2 ARG B 6 -5.272 -21.898 -13.511 1.00 1.65 H new ATOM 0 HG3 ARG B 6 -4.964 -23.384 -12.635 1.00 1.65 H new ATOM 0 HD2 ARG B 6 -7.594 -23.533 -12.417 1.00 2.03 H new ATOM 0 HD3 ARG B 6 -7.618 -22.354 -13.713 1.00 2.03 H new ATOM 0 HE ARG B 6 -6.383 -23.996 -15.170 1.00 2.55 H new ATOM 0 HH11 ARG B 6 -8.895 -25.379 -14.553 1.00 3.67 H new ATOM 0 HH12 ARG B 6 -8.371 -26.928 -13.884 1.00 3.67 H new ATOM 0 HH21 ARG B 6 -5.105 -25.749 -13.230 1.00 3.44 H new ATOM 0 HH22 ARG B 6 -6.187 -27.142 -13.122 1.00 3.44 H new ATOM 1269 N CYS B 7 -7.156 -19.773 -9.413 1.00 0.57 N ATOM 1270 CA CYS B 7 -6.915 -18.763 -8.343 1.00 0.44 C ATOM 1271 C CYS B 7 -5.420 -18.700 -8.014 1.00 0.41 C ATOM 1272 O CYS B 7 -4.694 -19.645 -8.254 1.00 0.48 O ATOM 1273 CB CYS B 7 -7.687 -19.172 -7.089 1.00 0.45 C ATOM 1274 SG CYS B 7 -9.454 -18.793 -7.034 1.00 0.50 S ATOM 0 H CYS B 7 -7.749 -20.559 -9.147 1.00 0.57 H new ATOM 0 HA CYS B 7 -7.250 -17.784 -8.687 1.00 0.44 H new ATOM 0 HB2 CYS B 7 -7.570 -20.248 -6.958 1.00 0.45 H new ATOM 0 HB3 CYS B 7 -7.214 -18.693 -6.232 1.00 0.45 H new ATOM 1279 N GLN B 8 -4.986 -17.594 -7.474 1.00 0.35 N ATOM 1280 CA GLN B 8 -3.542 -17.483 -7.118 1.00 0.39 C ATOM 1281 C GLN B 8 -3.201 -18.516 -6.040 1.00 0.38 C ATOM 1282 O GLN B 8 -2.074 -18.963 -5.944 1.00 0.45 O ATOM 1283 CB GLN B 8 -3.253 -16.075 -6.594 1.00 0.38 C ATOM 1284 CG GLN B 8 -3.093 -15.115 -7.779 1.00 0.45 C ATOM 1285 CD GLN B 8 -1.604 -14.918 -8.074 1.00 0.78 C ATOM 1286 OE1 GLN B 8 -0.861 -14.299 -7.198 1.00 1.49 O flip ATOM 1287 NE2 GLN B 8 -1.105 -15.325 -9.104 1.00 1.36 N flip ATOM 0 H GLN B 8 -5.557 -16.775 -7.266 1.00 0.35 H new ATOM 0 HA GLN B 8 -2.933 -17.671 -8.002 1.00 0.39 H new ATOM 0 HB2 GLN B 8 -4.065 -15.741 -5.948 1.00 0.38 H new ATOM 0 HB3 GLN B 8 -2.346 -16.079 -5.989 1.00 0.38 H new ATOM 0 HG2 GLN B 8 -3.599 -15.516 -8.657 1.00 0.45 H new ATOM 0 HG3 GLN B 8 -3.560 -14.157 -7.551 1.00 0.45 H new ATOM 0 HE21 GLN B 8 -1.680 -15.810 -9.793 1.00 1.36 H new ATOM 0 HE22 GLN B 8 -0.111 -15.182 -9.280 1.00 1.36 H new ATOM 1296 N CYS B 9 -4.187 -18.863 -5.251 1.00 0.34 N ATOM 1297 CA CYS B 9 -3.959 -19.869 -4.165 1.00 0.38 C ATOM 1298 C CYS B 9 -4.901 -21.064 -4.341 1.00 0.34 C ATOM 1299 O CYS B 9 -6.098 -20.944 -4.167 1.00 0.44 O ATOM 1300 CB CYS B 9 -4.226 -19.210 -2.816 1.00 0.49 C ATOM 1301 SG CYS B 9 -2.989 -18.045 -2.206 1.00 0.78 S ATOM 0 H CYS B 9 -5.137 -18.496 -5.310 1.00 0.34 H new ATOM 0 HA CYS B 9 -2.929 -20.223 -4.214 1.00 0.38 H new ATOM 0 HB2 CYS B 9 -5.180 -18.687 -2.879 1.00 0.49 H new ATOM 0 HB3 CYS B 9 -4.343 -19.998 -2.072 1.00 0.49 H new ATOM 1306 N ILE B 10 -4.340 -22.191 -4.683 1.00 0.44 N ATOM 1307 CA ILE B 10 -5.189 -23.406 -4.866 1.00 0.57 C ATOM 1308 C ILE B 10 -5.263 -24.193 -3.553 1.00 0.53 C ATOM 1309 O ILE B 10 -6.273 -24.798 -3.247 1.00 0.69 O ATOM 1310 CB ILE B 10 -4.578 -24.286 -5.957 1.00 0.78 C ATOM 1311 CG1 ILE B 10 -4.236 -23.416 -7.170 1.00 0.86 C ATOM 1312 CG2 ILE B 10 -5.591 -25.354 -6.371 1.00 0.97 C ATOM 1313 CD1 ILE B 10 -3.680 -24.306 -8.285 1.00 1.23 C ATOM 0 H ILE B 10 -3.342 -22.325 -4.843 1.00 0.44 H new ATOM 0 HA ILE B 10 -6.195 -23.105 -5.157 1.00 0.57 H new ATOM 0 HB ILE B 10 -3.674 -24.766 -5.581 1.00 0.78 H new ATOM 0 HG12 ILE B 10 -5.125 -22.889 -7.517 1.00 0.86 H new ATOM 0 HG13 ILE B 10 -3.504 -22.657 -6.894 1.00 0.86 H new ATOM 0 HG21 ILE B 10 -5.159 -25.983 -7.149 1.00 0.97 H new ATOM 0 HG22 ILE B 10 -5.846 -25.968 -5.507 1.00 0.97 H new ATOM 0 HG23 ILE B 10 -6.492 -24.873 -6.752 1.00 0.97 H new ATOM 0 HD11 ILE B 10 -3.434 -23.693 -9.152 1.00 1.23 H new ATOM 0 HD12 ILE B 10 -2.781 -24.812 -7.932 1.00 1.23 H new ATOM 0 HD13 ILE B 10 -4.428 -25.048 -8.566 1.00 1.23 H new ATOM 1325 N LYS B 11 -4.185 -24.164 -2.810 1.00 0.49 N ATOM 1326 CA LYS B 11 -4.155 -24.895 -1.503 1.00 0.47 C ATOM 1327 C LYS B 11 -3.903 -23.906 -0.360 1.00 0.42 C ATOM 1328 O LYS B 11 -3.660 -22.738 -0.594 1.00 0.61 O ATOM 1329 CB LYS B 11 -3.032 -25.931 -1.537 1.00 0.55 C ATOM 1330 CG LYS B 11 -3.622 -27.319 -1.280 1.00 1.40 C ATOM 1331 CD LYS B 11 -2.510 -28.363 -1.386 1.00 1.86 C ATOM 1332 CE LYS B 11 -2.857 -29.558 -0.497 1.00 2.62 C ATOM 1333 NZ LYS B 11 -2.231 -30.802 -1.026 1.00 3.10 N ATOM 0 H LYS B 11 -3.327 -23.668 -3.050 1.00 0.49 H new ATOM 0 HA LYS B 11 -5.112 -25.391 -1.341 1.00 0.47 H new ATOM 0 HB2 LYS B 11 -2.530 -25.909 -2.504 1.00 0.55 H new ATOM 0 HB3 LYS B 11 -2.281 -25.696 -0.783 1.00 0.55 H new ATOM 0 HG2 LYS B 11 -4.079 -27.356 -0.291 1.00 1.40 H new ATOM 0 HG3 LYS B 11 -4.409 -27.533 -2.003 1.00 1.40 H new ATOM 0 HD2 LYS B 11 -2.395 -28.685 -2.421 1.00 1.86 H new ATOM 0 HD3 LYS B 11 -1.558 -27.930 -1.079 1.00 1.86 H new ATOM 0 HE2 LYS B 11 -2.511 -29.374 0.520 1.00 2.62 H new ATOM 0 HE3 LYS B 11 -3.939 -29.681 -0.449 1.00 2.62 H new ATOM 0 HZ1 LYS B 11 -2.477 -31.603 -0.410 1.00 3.10 H new ATOM 0 HZ2 LYS B 11 -2.581 -30.985 -1.988 1.00 3.10 H new ATOM 0 HZ3 LYS B 11 -1.198 -30.688 -1.049 1.00 3.10 H new ATOM 1347 N THR B 12 -3.967 -24.395 0.853 1.00 0.38 N ATOM 1348 CA THR B 12 -3.735 -23.494 2.026 1.00 0.33 C ATOM 1349 C THR B 12 -2.837 -24.185 3.060 1.00 0.32 C ATOM 1350 O THR B 12 -2.431 -25.316 2.878 1.00 0.37 O ATOM 1351 CB THR B 12 -5.082 -23.149 2.670 1.00 0.35 C ATOM 1352 OG1 THR B 12 -5.747 -24.399 2.816 1.00 0.40 O ATOM 1353 CG2 THR B 12 -5.962 -22.330 1.727 1.00 0.40 C ATOM 0 H THR B 12 -4.168 -25.369 1.082 1.00 0.38 H new ATOM 0 HA THR B 12 -3.242 -22.584 1.684 1.00 0.33 H new ATOM 0 HB THR B 12 -4.920 -22.590 3.592 1.00 0.35 H new ATOM 0 HG1 THR B 12 -6.625 -24.256 3.228 1.00 0.40 H new ATOM 0 HG21 THR B 12 -6.909 -22.104 2.217 1.00 0.40 H new ATOM 0 HG22 THR B 12 -5.454 -21.400 1.472 1.00 0.40 H new ATOM 0 HG23 THR B 12 -6.151 -22.901 0.818 1.00 0.40 H new ATOM 1361 N TYR B 13 -2.551 -23.482 4.124 1.00 0.30 N ATOM 1362 CA TYR B 13 -1.675 -24.066 5.186 1.00 0.31 C ATOM 1363 C TYR B 13 -2.527 -24.560 6.364 1.00 0.32 C ATOM 1364 O TYR B 13 -3.236 -23.792 6.985 1.00 0.49 O ATOM 1365 CB TYR B 13 -0.706 -22.979 5.667 1.00 0.33 C ATOM 1366 CG TYR B 13 0.650 -23.600 6.024 1.00 0.36 C ATOM 1367 CD1 TYR B 13 1.391 -24.270 5.070 1.00 0.41 C ATOM 1368 CD2 TYR B 13 1.153 -23.494 7.307 1.00 0.38 C ATOM 1369 CE1 TYR B 13 2.612 -24.826 5.395 1.00 0.47 C ATOM 1370 CE2 TYR B 13 2.375 -24.048 7.628 1.00 0.43 C ATOM 1371 CZ TYR B 13 3.113 -24.720 6.675 1.00 0.47 C ATOM 1372 OH TYR B 13 4.333 -25.275 6.998 1.00 0.54 O ATOM 0 H TYR B 13 -2.883 -22.535 4.305 1.00 0.30 H new ATOM 0 HA TYR B 13 -1.121 -24.913 4.782 1.00 0.31 H new ATOM 0 HB2 TYR B 13 -0.576 -22.227 4.889 1.00 0.33 H new ATOM 0 HB3 TYR B 13 -1.121 -22.470 6.537 1.00 0.33 H new ATOM 0 HD1 TYR B 13 1.012 -24.359 4.063 1.00 0.41 H new ATOM 0 HD2 TYR B 13 0.585 -22.974 8.064 1.00 0.38 H new ATOM 0 HE1 TYR B 13 3.180 -25.349 4.640 1.00 0.47 H new ATOM 0 HE2 TYR B 13 2.757 -23.955 8.634 1.00 0.43 H new ATOM 0 HH TYR B 13 4.530 -25.104 7.943 1.00 0.54 H new ATOM 1382 N SER B 14 -2.436 -25.834 6.643 1.00 0.33 N ATOM 1383 CA SER B 14 -3.235 -26.402 7.773 1.00 0.33 C ATOM 1384 C SER B 14 -2.366 -26.537 9.030 1.00 0.34 C ATOM 1385 O SER B 14 -2.489 -27.490 9.774 1.00 0.40 O ATOM 1386 CB SER B 14 -3.762 -27.778 7.370 1.00 0.36 C ATOM 1387 OG SER B 14 -2.600 -28.592 7.317 1.00 0.40 O ATOM 0 H SER B 14 -1.849 -26.502 6.143 1.00 0.33 H new ATOM 0 HA SER B 14 -4.066 -25.732 7.993 1.00 0.33 H new ATOM 0 HB2 SER B 14 -4.482 -28.157 8.095 1.00 0.36 H new ATOM 0 HB3 SER B 14 -4.269 -27.744 6.406 1.00 0.36 H new ATOM 0 HG SER B 14 -2.851 -29.505 7.064 1.00 0.40 H new ATOM 1393 N LYS B 15 -1.504 -25.578 9.235 1.00 0.34 N ATOM 1394 CA LYS B 15 -0.618 -25.623 10.436 1.00 0.37 C ATOM 1395 C LYS B 15 -0.414 -24.179 10.990 1.00 0.34 C ATOM 1396 O LYS B 15 0.343 -23.414 10.426 1.00 0.33 O ATOM 1397 CB LYS B 15 0.739 -26.200 10.023 1.00 0.41 C ATOM 1398 CG LYS B 15 1.240 -27.141 11.126 1.00 0.98 C ATOM 1399 CD LYS B 15 2.645 -27.650 10.770 1.00 1.30 C ATOM 1400 CE LYS B 15 2.528 -28.897 9.888 1.00 1.88 C ATOM 1401 NZ LYS B 15 2.548 -30.130 10.725 1.00 2.64 N ATOM 0 H LYS B 15 -1.374 -24.769 8.627 1.00 0.34 H new ATOM 0 HA LYS B 15 -1.073 -26.244 11.208 1.00 0.37 H new ATOM 0 HB2 LYS B 15 0.647 -26.740 9.081 1.00 0.41 H new ATOM 0 HB3 LYS B 15 1.456 -25.395 9.860 1.00 0.41 H new ATOM 0 HG2 LYS B 15 1.263 -26.618 12.082 1.00 0.98 H new ATOM 0 HG3 LYS B 15 0.556 -27.982 11.239 1.00 0.98 H new ATOM 0 HD2 LYS B 15 3.203 -26.873 10.248 1.00 1.30 H new ATOM 0 HD3 LYS B 15 3.199 -27.885 11.679 1.00 1.30 H new ATOM 0 HE2 LYS B 15 1.604 -28.857 9.311 1.00 1.88 H new ATOM 0 HE3 LYS B 15 3.350 -28.922 9.172 1.00 1.88 H new ATOM 0 HZ1 LYS B 15 2.468 -30.967 10.113 1.00 2.64 H new ATOM 0 HZ2 LYS B 15 3.441 -30.174 11.257 1.00 2.64 H new ATOM 0 HZ3 LYS B 15 1.749 -30.111 11.391 1.00 2.64 H new ATOM 1415 N PRO B 16 -1.100 -23.821 12.081 1.00 0.36 N ATOM 1416 CA PRO B 16 -0.970 -22.467 12.644 1.00 0.36 C ATOM 1417 C PRO B 16 0.481 -22.156 13.033 1.00 0.36 C ATOM 1418 O PRO B 16 1.196 -23.013 13.514 1.00 0.42 O ATOM 1419 CB PRO B 16 -1.878 -22.448 13.878 1.00 0.42 C ATOM 1420 CG PRO B 16 -2.638 -23.807 13.914 1.00 0.44 C ATOM 1421 CD PRO B 16 -2.032 -24.700 12.819 1.00 0.41 C ATOM 0 HA PRO B 16 -1.255 -21.708 11.915 1.00 0.36 H new ATOM 0 HB2 PRO B 16 -1.290 -22.312 14.786 1.00 0.42 H new ATOM 0 HB3 PRO B 16 -2.580 -21.616 13.826 1.00 0.42 H new ATOM 0 HG2 PRO B 16 -2.538 -24.277 14.892 1.00 0.44 H new ATOM 0 HG3 PRO B 16 -3.703 -23.656 13.740 1.00 0.44 H new ATOM 0 HD2 PRO B 16 -1.511 -25.555 13.250 1.00 0.41 H new ATOM 0 HD3 PRO B 16 -2.805 -25.097 12.161 1.00 0.41 H new ATOM 1429 N PHE B 17 0.878 -20.927 12.810 1.00 0.35 N ATOM 1430 CA PHE B 17 2.275 -20.525 13.155 1.00 0.35 C ATOM 1431 C PHE B 17 2.288 -19.130 13.796 1.00 0.37 C ATOM 1432 O PHE B 17 1.258 -18.603 14.170 1.00 0.61 O ATOM 1433 CB PHE B 17 3.125 -20.513 11.883 1.00 0.35 C ATOM 1434 CG PHE B 17 2.448 -19.639 10.827 1.00 0.36 C ATOM 1435 CD1 PHE B 17 2.717 -18.282 10.759 1.00 0.63 C ATOM 1436 CD2 PHE B 17 1.556 -20.193 9.927 1.00 0.31 C ATOM 1437 CE1 PHE B 17 2.105 -17.498 9.810 1.00 0.75 C ATOM 1438 CE2 PHE B 17 0.945 -19.403 8.975 1.00 0.32 C ATOM 1439 CZ PHE B 17 1.219 -18.056 8.918 1.00 0.56 C ATOM 0 H PHE B 17 0.299 -20.190 12.407 1.00 0.35 H new ATOM 0 HA PHE B 17 2.685 -21.241 13.868 1.00 0.35 H new ATOM 0 HB2 PHE B 17 4.122 -20.131 12.102 1.00 0.35 H new ATOM 0 HB3 PHE B 17 3.249 -21.528 11.506 1.00 0.35 H new ATOM 0 HD1 PHE B 17 3.412 -17.837 11.456 1.00 0.63 H new ATOM 0 HD2 PHE B 17 1.337 -21.250 9.970 1.00 0.31 H new ATOM 0 HE1 PHE B 17 2.321 -16.441 9.765 1.00 0.75 H new ATOM 0 HE2 PHE B 17 0.251 -19.842 8.274 1.00 0.32 H new ATOM 0 HZ PHE B 17 0.739 -17.438 8.174 1.00 0.56 H new ATOM 1449 N HIS B 18 3.464 -18.570 13.904 1.00 0.32 N ATOM 1450 CA HIS B 18 3.604 -17.215 14.532 1.00 0.28 C ATOM 1451 C HIS B 18 4.120 -16.189 13.478 1.00 0.25 C ATOM 1452 O HIS B 18 4.957 -16.530 12.665 1.00 0.27 O ATOM 1453 CB HIS B 18 4.636 -17.347 15.652 1.00 0.33 C ATOM 1454 CG HIS B 18 4.627 -16.097 16.510 1.00 0.33 C ATOM 1455 ND1 HIS B 18 5.156 -14.943 16.156 1.00 0.30 N ATOM 1456 CD2 HIS B 18 4.091 -15.908 17.776 1.00 0.39 C ATOM 1457 CE1 HIS B 18 4.976 -14.099 17.116 1.00 0.35 C ATOM 1458 NE2 HIS B 18 4.346 -14.671 18.072 1.00 0.39 N ATOM 0 H HIS B 18 4.337 -18.990 13.585 1.00 0.32 H new ATOM 0 HA HIS B 18 2.644 -16.866 14.913 1.00 0.28 H new ATOM 0 HB2 HIS B 18 4.412 -18.221 16.264 1.00 0.33 H new ATOM 0 HB3 HIS B 18 5.628 -17.501 15.228 1.00 0.33 H new ATOM 0 HD2 HIS B 18 3.573 -16.635 18.384 1.00 0.39 H new ATOM 0 HE1 HIS B 18 5.306 -13.071 17.113 1.00 0.35 H new ATOM 0 HE2 HIS B 18 4.081 -14.217 18.946 1.00 0.39 H new ATOM 1466 N PRO B 19 3.620 -14.943 13.502 1.00 0.24 N ATOM 1467 CA PRO B 19 4.080 -13.927 12.542 1.00 0.25 C ATOM 1468 C PRO B 19 5.608 -13.753 12.604 1.00 0.28 C ATOM 1469 O PRO B 19 6.196 -13.123 11.748 1.00 0.32 O ATOM 1470 CB PRO B 19 3.377 -12.628 12.951 1.00 0.29 C ATOM 1471 CG PRO B 19 2.449 -12.958 14.156 1.00 0.30 C ATOM 1472 CD PRO B 19 2.578 -14.465 14.440 1.00 0.27 C ATOM 0 HA PRO B 19 3.844 -14.215 11.518 1.00 0.25 H new ATOM 0 HB2 PRO B 19 4.107 -11.867 13.227 1.00 0.29 H new ATOM 0 HB3 PRO B 19 2.798 -12.227 12.119 1.00 0.29 H new ATOM 0 HG2 PRO B 19 2.737 -12.377 15.032 1.00 0.30 H new ATOM 0 HG3 PRO B 19 1.416 -12.698 13.927 1.00 0.30 H new ATOM 0 HD2 PRO B 19 2.865 -14.649 15.475 1.00 0.27 H new ATOM 0 HD3 PRO B 19 1.632 -14.980 14.275 1.00 0.27 H new ATOM 1480 N LYS B 20 6.214 -14.310 13.617 1.00 0.28 N ATOM 1481 CA LYS B 20 7.701 -14.191 13.743 1.00 0.32 C ATOM 1482 C LYS B 20 8.372 -14.634 12.438 1.00 0.32 C ATOM 1483 O LYS B 20 9.423 -14.146 12.077 1.00 0.48 O ATOM 1484 CB LYS B 20 8.174 -15.093 14.880 1.00 0.39 C ATOM 1485 CG LYS B 20 9.257 -14.388 15.711 1.00 0.59 C ATOM 1486 CD LYS B 20 9.573 -15.242 16.954 1.00 0.58 C ATOM 1487 CE LYS B 20 10.399 -16.478 16.558 1.00 0.60 C ATOM 1488 NZ LYS B 20 11.702 -16.483 17.279 1.00 1.45 N ATOM 0 H LYS B 20 5.752 -14.838 14.358 1.00 0.28 H new ATOM 0 HA LYS B 20 7.966 -13.154 13.949 1.00 0.32 H new ATOM 0 HB2 LYS B 20 7.331 -15.356 15.519 1.00 0.39 H new ATOM 0 HB3 LYS B 20 8.568 -16.024 14.473 1.00 0.39 H new ATOM 0 HG2 LYS B 20 10.157 -14.246 15.113 1.00 0.59 H new ATOM 0 HG3 LYS B 20 8.915 -13.398 16.012 1.00 0.59 H new ATOM 0 HD2 LYS B 20 10.124 -14.646 17.682 1.00 0.58 H new ATOM 0 HD3 LYS B 20 8.646 -15.555 17.434 1.00 0.58 H new ATOM 0 HE2 LYS B 20 9.843 -17.386 16.792 1.00 0.60 H new ATOM 0 HE3 LYS B 20 10.571 -16.479 15.482 1.00 0.60 H new ATOM 0 HZ1 LYS B 20 12.249 -17.323 17.002 1.00 1.45 H new ATOM 0 HZ2 LYS B 20 12.237 -15.625 17.035 1.00 1.45 H new ATOM 0 HZ3 LYS B 20 11.531 -16.504 18.305 1.00 1.45 H new ATOM 1502 N PHE B 21 7.740 -15.553 11.764 1.00 0.29 N ATOM 1503 CA PHE B 21 8.313 -16.059 10.480 1.00 0.29 C ATOM 1504 C PHE B 21 7.792 -15.237 9.295 1.00 0.25 C ATOM 1505 O PHE B 21 8.288 -15.347 8.190 1.00 0.36 O ATOM 1506 CB PHE B 21 7.891 -17.515 10.303 1.00 0.36 C ATOM 1507 CG PHE B 21 8.499 -18.355 11.426 1.00 0.38 C ATOM 1508 CD1 PHE B 21 9.850 -18.654 11.431 1.00 0.47 C ATOM 1509 CD2 PHE B 21 7.703 -18.828 12.456 1.00 0.38 C ATOM 1510 CE1 PHE B 21 10.394 -19.413 12.446 1.00 0.55 C ATOM 1511 CE2 PHE B 21 8.250 -19.586 13.471 1.00 0.44 C ATOM 1512 CZ PHE B 21 9.595 -19.877 13.466 1.00 0.51 C ATOM 0 H PHE B 21 6.855 -15.976 12.043 1.00 0.29 H new ATOM 0 HA PHE B 21 9.399 -15.973 10.512 1.00 0.29 H new ATOM 0 HB2 PHE B 21 6.804 -17.596 10.320 1.00 0.36 H new ATOM 0 HB3 PHE B 21 8.223 -17.887 9.334 1.00 0.36 H new ATOM 0 HD1 PHE B 21 10.483 -18.291 10.635 1.00 0.47 H new ATOM 0 HD2 PHE B 21 6.647 -18.602 12.465 1.00 0.38 H new ATOM 0 HE1 PHE B 21 11.449 -19.644 12.440 1.00 0.55 H new ATOM 0 HE2 PHE B 21 7.622 -19.951 14.270 1.00 0.44 H new ATOM 0 HZ PHE B 21 10.023 -20.469 14.262 1.00 0.51 H new ATOM 1522 N ILE B 22 6.805 -14.430 9.554 1.00 0.30 N ATOM 1523 CA ILE B 22 6.220 -13.602 8.457 1.00 0.24 C ATOM 1524 C ILE B 22 6.907 -12.236 8.391 1.00 0.24 C ATOM 1525 O ILE B 22 7.020 -11.544 9.384 1.00 0.28 O ATOM 1526 CB ILE B 22 4.706 -13.396 8.720 1.00 0.29 C ATOM 1527 CG1 ILE B 22 3.922 -14.741 8.618 1.00 0.41 C ATOM 1528 CG2 ILE B 22 4.152 -12.397 7.695 1.00 0.26 C ATOM 1529 CD1 ILE B 22 4.419 -16.153 8.282 1.00 1.12 C ATOM 0 H ILE B 22 6.377 -14.305 10.471 1.00 0.30 H new ATOM 0 HA ILE B 22 6.370 -14.120 7.510 1.00 0.24 H new ATOM 0 HB ILE B 22 4.579 -13.010 9.732 1.00 0.29 H new ATOM 0 HG12 ILE B 22 3.434 -14.847 9.587 1.00 0.41 H new ATOM 0 HG13 ILE B 22 3.139 -14.546 7.886 1.00 0.41 H new ATOM 0 HG21 ILE B 22 3.087 -12.246 7.873 1.00 0.26 H new ATOM 0 HG22 ILE B 22 4.675 -11.446 7.795 1.00 0.26 H new ATOM 0 HG23 ILE B 22 4.300 -12.789 6.689 1.00 0.26 H new ATOM 0 HD11 ILE B 22 3.580 -16.849 8.304 1.00 1.12 H new ATOM 0 HD12 ILE B 22 4.865 -16.155 7.288 1.00 1.12 H new ATOM 0 HD13 ILE B 22 5.165 -16.460 9.015 1.00 1.12 H new ATOM 1541 N LYS B 23 7.349 -11.889 7.208 1.00 0.23 N ATOM 1542 CA LYS B 23 8.019 -10.579 7.010 1.00 0.26 C ATOM 1543 C LYS B 23 7.249 -9.758 5.977 1.00 0.22 C ATOM 1544 O LYS B 23 7.301 -8.544 5.983 1.00 0.24 O ATOM 1545 CB LYS B 23 9.442 -10.807 6.507 1.00 0.32 C ATOM 1546 CG LYS B 23 10.350 -11.153 7.690 1.00 0.35 C ATOM 1547 CD LYS B 23 10.942 -9.868 8.277 1.00 0.80 C ATOM 1548 CE LYS B 23 11.900 -10.233 9.413 1.00 0.96 C ATOM 1549 NZ LYS B 23 11.697 -9.329 10.578 1.00 1.58 N ATOM 0 H LYS B 23 7.271 -12.464 6.369 1.00 0.23 H new ATOM 0 HA LYS B 23 8.044 -10.042 7.958 1.00 0.26 H new ATOM 0 HB2 LYS B 23 9.456 -11.615 5.775 1.00 0.32 H new ATOM 0 HB3 LYS B 23 9.809 -9.913 6.002 1.00 0.32 H new ATOM 0 HG2 LYS B 23 9.783 -11.686 8.453 1.00 0.35 H new ATOM 0 HG3 LYS B 23 11.150 -11.818 7.365 1.00 0.35 H new ATOM 0 HD2 LYS B 23 11.470 -9.310 7.504 1.00 0.80 H new ATOM 0 HD3 LYS B 23 10.146 -9.223 8.649 1.00 0.80 H new ATOM 0 HE2 LYS B 23 11.737 -11.267 9.715 1.00 0.96 H new ATOM 0 HE3 LYS B 23 12.930 -10.161 9.065 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 12.355 -9.591 11.339 1.00 1.58 H new ATOM 0 HZ2 LYS B 23 11.875 -8.346 10.290 1.00 1.58 H new ATOM 0 HZ3 LYS B 23 10.719 -9.418 10.920 1.00 1.58 H new ATOM 1563 N GLU B 24 6.547 -10.445 5.107 1.00 0.19 N ATOM 1564 CA GLU B 24 5.762 -9.719 4.056 1.00 0.19 C ATOM 1565 C GLU B 24 4.363 -10.333 3.909 1.00 0.18 C ATOM 1566 O GLU B 24 4.217 -11.537 3.840 1.00 0.24 O ATOM 1567 CB GLU B 24 6.501 -9.816 2.724 1.00 0.22 C ATOM 1568 CG GLU B 24 5.537 -9.464 1.589 1.00 0.24 C ATOM 1569 CD GLU B 24 6.338 -9.051 0.352 1.00 0.57 C ATOM 1570 OE1 GLU B 24 7.233 -9.807 0.010 1.00 1.47 O ATOM 1571 OE2 GLU B 24 6.010 -8.004 -0.180 1.00 1.28 O ATOM 0 H GLU B 24 6.483 -11.463 5.078 1.00 0.19 H new ATOM 0 HA GLU B 24 5.656 -8.675 4.351 1.00 0.19 H new ATOM 0 HB2 GLU B 24 7.354 -9.137 2.717 1.00 0.22 H new ATOM 0 HB3 GLU B 24 6.894 -10.823 2.585 1.00 0.22 H new ATOM 0 HG2 GLU B 24 4.903 -10.320 1.357 1.00 0.24 H new ATOM 0 HG3 GLU B 24 4.877 -8.653 1.896 1.00 0.24 H new ATOM 1578 N LEU B 25 3.368 -9.481 3.862 1.00 0.18 N ATOM 1579 CA LEU B 25 1.966 -9.978 3.715 1.00 0.19 C ATOM 1580 C LEU B 25 1.433 -9.644 2.318 1.00 0.19 C ATOM 1581 O LEU B 25 1.812 -8.651 1.729 1.00 0.22 O ATOM 1582 CB LEU B 25 1.084 -9.303 4.765 1.00 0.24 C ATOM 1583 CG LEU B 25 -0.206 -10.108 4.936 1.00 0.27 C ATOM 1584 CD1 LEU B 25 -0.018 -11.129 6.061 1.00 0.36 C ATOM 1585 CD2 LEU B 25 -1.346 -9.158 5.304 1.00 0.39 C ATOM 0 H LEU B 25 3.466 -8.467 3.919 1.00 0.18 H new ATOM 0 HA LEU B 25 1.952 -11.059 3.853 1.00 0.19 H new ATOM 0 HB2 LEU B 25 1.614 -9.239 5.715 1.00 0.24 H new ATOM 0 HB3 LEU B 25 0.852 -8.283 4.460 1.00 0.24 H new ATOM 0 HG LEU B 25 -0.443 -10.625 4.006 1.00 0.27 H new ATOM 0 HD11 LEU B 25 -0.935 -11.705 6.187 1.00 0.36 H new ATOM 0 HD12 LEU B 25 0.802 -11.802 5.809 1.00 0.36 H new ATOM 0 HD13 LEU B 25 0.213 -10.608 6.990 1.00 0.36 H new ATOM 0 HD21 LEU B 25 -2.268 -9.726 5.427 1.00 0.39 H new ATOM 0 HD22 LEU B 25 -1.107 -8.647 6.237 1.00 0.39 H new ATOM 0 HD23 LEU B 25 -1.477 -8.422 4.511 1.00 0.39 H new ATOM 1597 N ARG B 26 0.563 -10.481 1.817 1.00 0.19 N ATOM 1598 CA ARG B 26 -0.002 -10.225 0.459 1.00 0.22 C ATOM 1599 C ARG B 26 -1.472 -10.654 0.407 1.00 0.23 C ATOM 1600 O ARG B 26 -1.795 -11.792 0.683 1.00 0.38 O ATOM 1601 CB ARG B 26 0.795 -11.017 -0.567 1.00 0.28 C ATOM 1602 CG ARG B 26 1.872 -10.119 -1.180 1.00 0.43 C ATOM 1603 CD ARG B 26 2.967 -10.992 -1.798 1.00 0.51 C ATOM 1604 NE ARG B 26 2.376 -11.804 -2.899 1.00 1.21 N ATOM 1605 CZ ARG B 26 3.112 -12.113 -3.931 1.00 1.38 C ATOM 1606 NH1 ARG B 26 4.330 -12.538 -3.732 1.00 1.95 N ATOM 1607 NH2 ARG B 26 2.606 -11.987 -5.127 1.00 1.61 N ATOM 0 H ARG B 26 0.222 -11.322 2.283 1.00 0.19 H new ATOM 0 HA ARG B 26 0.061 -9.159 0.238 1.00 0.22 H new ATOM 0 HB2 ARG B 26 1.255 -11.885 -0.095 1.00 0.28 H new ATOM 0 HB3 ARG B 26 0.132 -11.393 -1.347 1.00 0.28 H new ATOM 0 HG2 ARG B 26 1.433 -9.473 -1.941 1.00 0.43 H new ATOM 0 HG3 ARG B 26 2.298 -9.468 -0.416 1.00 0.43 H new ATOM 0 HD2 ARG B 26 3.774 -10.368 -2.182 1.00 0.51 H new ATOM 0 HD3 ARG B 26 3.401 -11.644 -1.040 1.00 0.51 H new ATOM 0 HE ARG B 26 1.406 -12.115 -2.846 1.00 1.21 H new ATOM 0 HH11 ARG B 26 4.691 -12.624 -2.782 1.00 1.95 H new ATOM 0 HH12 ARG B 26 4.920 -12.784 -4.526 1.00 1.95 H new ATOM 0 HH21 ARG B 26 1.650 -11.652 -5.243 1.00 1.61 H new ATOM 0 HH22 ARG B 26 3.167 -12.224 -5.946 1.00 1.61 H new ATOM 1621 N VAL B 27 -2.328 -9.726 0.054 1.00 0.23 N ATOM 1622 CA VAL B 27 -3.789 -10.049 -0.029 1.00 0.23 C ATOM 1623 C VAL B 27 -4.317 -9.740 -1.433 1.00 0.25 C ATOM 1624 O VAL B 27 -4.207 -8.626 -1.906 1.00 0.36 O ATOM 1625 CB VAL B 27 -4.548 -9.204 0.994 1.00 0.25 C ATOM 1626 CG1 VAL B 27 -6.004 -9.671 1.051 1.00 0.30 C ATOM 1627 CG2 VAL B 27 -3.908 -9.385 2.372 1.00 0.27 C ATOM 0 H VAL B 27 -2.081 -8.764 -0.179 1.00 0.23 H new ATOM 0 HA VAL B 27 -3.935 -11.109 0.181 1.00 0.23 H new ATOM 0 HB VAL B 27 -4.508 -8.154 0.705 1.00 0.25 H new ATOM 0 HG11 VAL B 27 -6.550 -9.072 1.779 1.00 0.30 H new ATOM 0 HG12 VAL B 27 -6.462 -9.555 0.069 1.00 0.30 H new ATOM 0 HG13 VAL B 27 -6.038 -10.720 1.346 1.00 0.30 H new ATOM 0 HG21 VAL B 27 -4.446 -8.784 3.105 1.00 0.27 H new ATOM 0 HG22 VAL B 27 -3.954 -10.435 2.660 1.00 0.27 H new ATOM 0 HG23 VAL B 27 -2.867 -9.065 2.334 1.00 0.27 H new ATOM 1637 N ILE B 28 -4.881 -10.741 -2.064 1.00 0.19 N ATOM 1638 CA ILE B 28 -5.425 -10.542 -3.445 1.00 0.20 C ATOM 1639 C ILE B 28 -6.941 -10.775 -3.456 1.00 0.21 C ATOM 1640 O ILE B 28 -7.410 -11.853 -3.152 1.00 0.25 O ATOM 1641 CB ILE B 28 -4.743 -11.535 -4.391 1.00 0.22 C ATOM 1642 CG1 ILE B 28 -3.269 -11.132 -4.552 1.00 0.28 C ATOM 1643 CG2 ILE B 28 -5.437 -11.499 -5.757 1.00 0.21 C ATOM 1644 CD1 ILE B 28 -2.509 -12.229 -5.309 1.00 0.44 C ATOM 0 H ILE B 28 -4.988 -11.682 -1.686 1.00 0.19 H new ATOM 0 HA ILE B 28 -5.228 -9.521 -3.771 1.00 0.20 H new ATOM 0 HB ILE B 28 -4.809 -12.543 -3.982 1.00 0.22 H new ATOM 0 HG12 ILE B 28 -3.198 -10.188 -5.093 1.00 0.28 H new ATOM 0 HG13 ILE B 28 -2.817 -10.973 -3.573 1.00 0.28 H new ATOM 0 HG21 ILE B 28 -4.952 -12.206 -6.430 1.00 0.21 H new ATOM 0 HG22 ILE B 28 -6.486 -11.771 -5.640 1.00 0.21 H new ATOM 0 HG23 ILE B 28 -5.368 -10.494 -6.174 1.00 0.21 H new ATOM 0 HD11 ILE B 28 -1.465 -11.938 -5.420 1.00 0.44 H new ATOM 0 HD12 ILE B 28 -2.568 -13.164 -4.751 1.00 0.44 H new ATOM 0 HD13 ILE B 28 -2.954 -12.366 -6.294 1.00 0.44 H new ATOM 1656 N GLU B 29 -7.671 -9.751 -3.806 1.00 0.23 N ATOM 1657 CA GLU B 29 -9.158 -9.882 -3.842 1.00 0.26 C ATOM 1658 C GLU B 29 -9.595 -10.617 -5.115 1.00 0.27 C ATOM 1659 O GLU B 29 -8.824 -10.769 -6.041 1.00 0.27 O ATOM 1660 CB GLU B 29 -9.775 -8.481 -3.820 1.00 0.29 C ATOM 1661 CG GLU B 29 -11.289 -8.589 -4.019 1.00 0.40 C ATOM 1662 CD GLU B 29 -11.953 -7.283 -3.578 1.00 0.83 C ATOM 1663 OE1 GLU B 29 -11.205 -6.366 -3.284 1.00 1.53 O ATOM 1664 OE2 GLU B 29 -13.173 -7.278 -3.559 1.00 1.55 O ATOM 0 H GLU B 29 -7.307 -8.835 -4.067 1.00 0.23 H new ATOM 0 HA GLU B 29 -9.494 -10.454 -2.977 1.00 0.26 H new ATOM 0 HB2 GLU B 29 -9.556 -7.990 -2.872 1.00 0.29 H new ATOM 0 HB3 GLU B 29 -9.337 -7.866 -4.606 1.00 0.29 H new ATOM 0 HG2 GLU B 29 -11.516 -8.790 -5.066 1.00 0.40 H new ATOM 0 HG3 GLU B 29 -11.684 -9.424 -3.441 1.00 0.40 H new ATOM 1671 N SER B 30 -10.826 -11.063 -5.124 1.00 0.32 N ATOM 1672 CA SER B 30 -11.347 -11.788 -6.325 1.00 0.34 C ATOM 1673 C SER B 30 -10.867 -11.107 -7.611 1.00 0.35 C ATOM 1674 O SER B 30 -11.097 -9.930 -7.813 1.00 0.39 O ATOM 1675 CB SER B 30 -12.875 -11.774 -6.289 1.00 0.40 C ATOM 1676 OG SER B 30 -13.201 -10.436 -5.941 1.00 0.44 O ATOM 0 H SER B 30 -11.490 -10.958 -4.357 1.00 0.32 H new ATOM 0 HA SER B 30 -10.977 -12.813 -6.311 1.00 0.34 H new ATOM 0 HB2 SER B 30 -13.299 -12.049 -7.255 1.00 0.40 H new ATOM 0 HB3 SER B 30 -13.263 -12.482 -5.557 1.00 0.40 H new ATOM 0 HG SER B 30 -12.701 -9.818 -6.514 1.00 0.44 H new ATOM 1682 N GLY B 31 -10.207 -11.868 -8.449 1.00 0.35 N ATOM 1683 CA GLY B 31 -9.696 -11.298 -9.734 1.00 0.38 C ATOM 1684 C GLY B 31 -10.255 -12.094 -10.922 1.00 0.42 C ATOM 1685 O GLY B 31 -11.101 -12.952 -10.756 1.00 0.42 O ATOM 0 H GLY B 31 -10.001 -12.856 -8.300 1.00 0.35 H new ATOM 0 HA2 GLY B 31 -9.987 -10.251 -9.818 1.00 0.38 H new ATOM 0 HA3 GLY B 31 -8.606 -11.328 -9.746 1.00 0.38 H new ATOM 1689 N PRO B 32 -9.765 -11.787 -12.104 1.00 0.46 N ATOM 1690 CA PRO B 32 -10.212 -12.468 -13.325 1.00 0.51 C ATOM 1691 C PRO B 32 -9.816 -13.946 -13.277 1.00 0.49 C ATOM 1692 O PRO B 32 -10.096 -14.702 -14.186 1.00 0.52 O ATOM 1693 CB PRO B 32 -9.486 -11.752 -14.472 1.00 0.55 C ATOM 1694 CG PRO B 32 -8.586 -10.647 -13.835 1.00 0.54 C ATOM 1695 CD PRO B 32 -8.740 -10.753 -12.307 1.00 0.47 C ATOM 0 HA PRO B 32 -11.295 -12.431 -13.446 1.00 0.51 H new ATOM 0 HB2 PRO B 32 -8.882 -12.457 -15.044 1.00 0.55 H new ATOM 0 HB3 PRO B 32 -10.203 -11.311 -15.165 1.00 0.55 H new ATOM 0 HG2 PRO B 32 -7.545 -10.785 -14.126 1.00 0.54 H new ATOM 0 HG3 PRO B 32 -8.887 -9.659 -14.184 1.00 0.54 H new ATOM 0 HD2 PRO B 32 -7.799 -11.031 -11.833 1.00 0.47 H new ATOM 0 HD3 PRO B 32 -9.047 -9.801 -11.873 1.00 0.47 H new ATOM 1703 N HIS B 33 -9.170 -14.313 -12.204 1.00 0.45 N ATOM 1704 CA HIS B 33 -8.726 -15.729 -12.037 1.00 0.46 C ATOM 1705 C HIS B 33 -9.362 -16.325 -10.781 1.00 0.44 C ATOM 1706 O HIS B 33 -9.451 -17.529 -10.636 1.00 0.50 O ATOM 1707 CB HIS B 33 -7.212 -15.743 -11.885 1.00 0.44 C ATOM 1708 CG HIS B 33 -6.849 -15.119 -10.537 1.00 0.36 C ATOM 1709 ND1 HIS B 33 -7.282 -13.976 -10.107 1.00 0.33 N ATOM 1710 CD2 HIS B 33 -6.041 -15.614 -9.515 1.00 0.34 C ATOM 1711 CE1 HIS B 33 -6.825 -13.726 -8.937 1.00 0.29 C ATOM 1712 NE2 HIS B 33 -6.066 -14.709 -8.550 1.00 0.29 N ATOM 0 H HIS B 33 -8.929 -13.692 -11.432 1.00 0.45 H new ATOM 0 HA HIS B 33 -9.028 -16.317 -12.904 1.00 0.46 H new ATOM 0 HB2 HIS B 33 -6.836 -16.764 -11.942 1.00 0.44 H new ATOM 0 HB3 HIS B 33 -6.745 -15.186 -12.697 1.00 0.44 H new ATOM 0 HD2 HIS B 33 -5.502 -16.550 -9.511 1.00 0.34 H new ATOM 0 HE1 HIS B 33 -7.037 -12.837 -8.361 1.00 0.29 H new ATOM 0 HE2 HIS B 33 -5.575 -14.771 -7.658 1.00 0.29 H new ATOM 1720 N CYS B 34 -9.790 -15.460 -9.898 1.00 0.38 N ATOM 1721 CA CYS B 34 -10.421 -15.941 -8.635 1.00 0.37 C ATOM 1722 C CYS B 34 -11.667 -15.108 -8.316 1.00 0.39 C ATOM 1723 O CYS B 34 -11.630 -13.894 -8.348 1.00 0.39 O ATOM 1724 CB CYS B 34 -9.410 -15.808 -7.497 1.00 0.34 C ATOM 1725 SG CYS B 34 -9.542 -16.989 -6.133 1.00 0.45 S ATOM 0 H CYS B 34 -9.730 -14.447 -9.997 1.00 0.38 H new ATOM 0 HA CYS B 34 -10.718 -16.983 -8.751 1.00 0.37 H new ATOM 0 HB2 CYS B 34 -8.410 -15.893 -7.922 1.00 0.34 H new ATOM 0 HB3 CYS B 34 -9.497 -14.803 -7.084 1.00 0.34 H new ATOM 1730 N ALA B 35 -12.745 -15.782 -8.014 1.00 0.43 N ATOM 1731 CA ALA B 35 -14.004 -15.051 -7.693 1.00 0.46 C ATOM 1732 C ALA B 35 -14.178 -14.927 -6.175 1.00 0.46 C ATOM 1733 O ALA B 35 -15.280 -14.779 -5.685 1.00 0.52 O ATOM 1734 CB ALA B 35 -15.188 -15.819 -8.280 1.00 0.53 C ATOM 0 H ALA B 35 -12.808 -16.799 -7.976 1.00 0.43 H new ATOM 0 HA ALA B 35 -13.956 -14.050 -8.122 1.00 0.46 H new ATOM 0 HB1 ALA B 35 -16.114 -15.292 -8.050 1.00 0.53 H new ATOM 0 HB2 ALA B 35 -15.072 -15.895 -9.361 1.00 0.53 H new ATOM 0 HB3 ALA B 35 -15.223 -16.819 -7.848 1.00 0.53 H new ATOM 1740 N ASN B 36 -13.081 -14.988 -5.466 1.00 0.42 N ATOM 1741 CA ASN B 36 -13.161 -14.882 -3.975 1.00 0.43 C ATOM 1742 C ASN B 36 -12.005 -14.038 -3.436 1.00 0.39 C ATOM 1743 O ASN B 36 -11.533 -13.135 -4.085 1.00 0.44 O ATOM 1744 CB ASN B 36 -13.089 -16.287 -3.374 1.00 0.46 C ATOM 1745 CG ASN B 36 -14.137 -17.178 -4.043 1.00 0.57 C ATOM 1746 OD1 ASN B 36 -15.225 -16.742 -4.366 1.00 1.18 O ATOM 1747 ND2 ASN B 36 -13.853 -18.432 -4.267 1.00 1.15 N ATOM 0 H ASN B 36 -12.142 -15.105 -5.847 1.00 0.42 H new ATOM 0 HA ASN B 36 -14.100 -14.402 -3.700 1.00 0.43 H new ATOM 0 HB2 ASN B 36 -12.093 -16.706 -3.518 1.00 0.46 H new ATOM 0 HB3 ASN B 36 -13.264 -16.244 -2.299 1.00 0.46 H new ATOM 0 HD21 ASN B 36 -14.542 -19.040 -4.710 1.00 1.15 H new ATOM 0 HD22 ASN B 36 -12.942 -18.804 -3.999 1.00 1.15 H new ATOM 1754 N THR B 37 -11.596 -14.355 -2.249 1.00 0.39 N ATOM 1755 CA THR B 37 -10.467 -13.603 -1.619 1.00 0.36 C ATOM 1756 C THR B 37 -9.424 -14.586 -1.075 1.00 0.34 C ATOM 1757 O THR B 37 -9.767 -15.615 -0.528 1.00 0.40 O ATOM 1758 CB THR B 37 -11.019 -12.742 -0.481 1.00 0.43 C ATOM 1759 OG1 THR B 37 -11.051 -11.422 -1.013 1.00 0.46 O ATOM 1760 CG2 THR B 37 -10.063 -12.672 0.711 1.00 0.45 C ATOM 0 H THR B 37 -11.990 -15.103 -1.679 1.00 0.39 H new ATOM 0 HA THR B 37 -9.989 -12.965 -2.363 1.00 0.36 H new ATOM 0 HB THR B 37 -11.973 -13.148 -0.146 1.00 0.43 H new ATOM 0 HG1 THR B 37 -11.920 -11.013 -0.821 1.00 0.46 H new ATOM 0 HG21 THR B 37 -10.500 -12.050 1.492 1.00 0.45 H new ATOM 0 HG22 THR B 37 -9.892 -13.676 1.100 1.00 0.45 H new ATOM 0 HG23 THR B 37 -9.114 -12.241 0.392 1.00 0.45 H new ATOM 1768 N GLU B 38 -8.173 -14.246 -1.244 1.00 0.31 N ATOM 1769 CA GLU B 38 -7.088 -15.147 -0.747 1.00 0.34 C ATOM 1770 C GLU B 38 -5.989 -14.325 -0.066 1.00 0.30 C ATOM 1771 O GLU B 38 -5.500 -13.360 -0.619 1.00 0.32 O ATOM 1772 CB GLU B 38 -6.496 -15.911 -1.929 1.00 0.41 C ATOM 1773 CG GLU B 38 -7.612 -16.240 -2.923 1.00 1.06 C ATOM 1774 CD GLU B 38 -7.113 -17.289 -3.917 1.00 1.86 C ATOM 1775 OE1 GLU B 38 -6.127 -16.990 -4.571 1.00 2.39 O ATOM 1776 OE2 GLU B 38 -7.746 -18.331 -3.968 1.00 2.59 O ATOM 0 H GLU B 38 -7.856 -13.391 -1.701 1.00 0.31 H new ATOM 0 HA GLU B 38 -7.504 -15.847 -0.022 1.00 0.34 H new ATOM 0 HB2 GLU B 38 -5.724 -15.313 -2.414 1.00 0.41 H new ATOM 0 HB3 GLU B 38 -6.019 -16.828 -1.583 1.00 0.41 H new ATOM 0 HG2 GLU B 38 -8.488 -16.613 -2.393 1.00 1.06 H new ATOM 0 HG3 GLU B 38 -7.920 -15.338 -3.453 1.00 1.06 H new ATOM 1783 N ILE B 39 -5.624 -14.730 1.122 1.00 0.28 N ATOM 1784 CA ILE B 39 -4.559 -13.986 1.859 1.00 0.25 C ATOM 1785 C ILE B 39 -3.211 -14.700 1.712 1.00 0.23 C ATOM 1786 O ILE B 39 -2.958 -15.695 2.363 1.00 0.26 O ATOM 1787 CB ILE B 39 -4.938 -13.912 3.340 1.00 0.29 C ATOM 1788 CG1 ILE B 39 -6.075 -12.893 3.514 1.00 0.41 C ATOM 1789 CG2 ILE B 39 -3.717 -13.461 4.148 1.00 0.33 C ATOM 1790 CD1 ILE B 39 -6.640 -12.976 4.941 1.00 0.62 C ATOM 0 H ILE B 39 -6.013 -15.536 1.611 1.00 0.28 H new ATOM 0 HA ILE B 39 -4.470 -12.982 1.444 1.00 0.25 H new ATOM 0 HB ILE B 39 -5.266 -14.890 3.692 1.00 0.29 H new ATOM 0 HG12 ILE B 39 -5.706 -11.886 3.318 1.00 0.41 H new ATOM 0 HG13 ILE B 39 -6.865 -13.089 2.789 1.00 0.41 H new ATOM 0 HG21 ILE B 39 -3.980 -13.406 5.204 1.00 0.33 H new ATOM 0 HG22 ILE B 39 -2.906 -14.177 4.013 1.00 0.33 H new ATOM 0 HG23 ILE B 39 -3.395 -12.479 3.803 1.00 0.33 H new ATOM 0 HD11 ILE B 39 -7.445 -12.251 5.056 1.00 0.62 H new ATOM 0 HD12 ILE B 39 -7.026 -13.979 5.122 1.00 0.62 H new ATOM 0 HD13 ILE B 39 -5.849 -12.757 5.659 1.00 0.62 H new ATOM 1802 N ILE B 40 -2.375 -14.175 0.859 1.00 0.21 N ATOM 1803 CA ILE B 40 -1.037 -14.806 0.660 1.00 0.22 C ATOM 1804 C ILE B 40 -0.024 -14.201 1.637 1.00 0.21 C ATOM 1805 O ILE B 40 -0.243 -13.136 2.180 1.00 0.26 O ATOM 1806 CB ILE B 40 -0.577 -14.557 -0.777 1.00 0.24 C ATOM 1807 CG1 ILE B 40 -1.405 -15.428 -1.720 1.00 0.36 C ATOM 1808 CG2 ILE B 40 0.901 -14.928 -0.914 1.00 0.43 C ATOM 1809 CD1 ILE B 40 -1.551 -14.715 -3.066 1.00 0.76 C ATOM 0 H ILE B 40 -2.556 -13.344 0.295 1.00 0.21 H new ATOM 0 HA ILE B 40 -1.109 -15.878 0.844 1.00 0.22 H new ATOM 0 HB ILE B 40 -0.710 -13.505 -1.028 1.00 0.24 H new ATOM 0 HG12 ILE B 40 -0.923 -16.396 -1.858 1.00 0.36 H new ATOM 0 HG13 ILE B 40 -2.387 -15.620 -1.288 1.00 0.36 H new ATOM 0 HG21 ILE B 40 1.227 -14.750 -1.939 1.00 0.43 H new ATOM 0 HG22 ILE B 40 1.494 -14.317 -0.233 1.00 0.43 H new ATOM 0 HG23 ILE B 40 1.036 -15.981 -0.668 1.00 0.43 H new ATOM 0 HD11 ILE B 40 -2.141 -15.333 -3.743 1.00 0.76 H new ATOM 0 HD12 ILE B 40 -2.052 -13.758 -2.918 1.00 0.76 H new ATOM 0 HD13 ILE B 40 -0.564 -14.546 -3.497 1.00 0.76 H new ATOM 1821 N VAL B 41 1.064 -14.890 1.841 1.00 0.21 N ATOM 1822 CA VAL B 41 2.091 -14.365 2.785 1.00 0.20 C ATOM 1823 C VAL B 41 3.496 -14.813 2.354 1.00 0.19 C ATOM 1824 O VAL B 41 3.641 -15.758 1.604 1.00 0.23 O ATOM 1825 CB VAL B 41 1.781 -14.893 4.187 1.00 0.23 C ATOM 1826 CG1 VAL B 41 1.809 -16.426 4.173 1.00 0.38 C ATOM 1827 CG2 VAL B 41 2.829 -14.372 5.170 1.00 0.36 C ATOM 0 H VAL B 41 1.286 -15.783 1.401 1.00 0.21 H new ATOM 0 HA VAL B 41 2.066 -13.275 2.782 1.00 0.20 H new ATOM 0 HB VAL B 41 0.793 -14.551 4.495 1.00 0.23 H new ATOM 0 HG11 VAL B 41 1.588 -16.803 5.172 1.00 0.38 H new ATOM 0 HG12 VAL B 41 1.062 -16.797 3.472 1.00 0.38 H new ATOM 0 HG13 VAL B 41 2.797 -16.769 3.866 1.00 0.38 H new ATOM 0 HG21 VAL B 41 2.609 -14.748 6.169 1.00 0.36 H new ATOM 0 HG22 VAL B 41 3.817 -14.714 4.863 1.00 0.36 H new ATOM 0 HG23 VAL B 41 2.809 -13.282 5.179 1.00 0.36 H new ATOM 1837 N LYS B 42 4.500 -14.117 2.841 1.00 0.20 N ATOM 1838 CA LYS B 42 5.907 -14.484 2.474 1.00 0.21 C ATOM 1839 C LYS B 42 6.774 -14.616 3.731 1.00 0.20 C ATOM 1840 O LYS B 42 6.789 -13.738 4.579 1.00 0.20 O ATOM 1841 CB LYS B 42 6.491 -13.402 1.567 1.00 0.25 C ATOM 1842 CG LYS B 42 6.787 -14.009 0.192 1.00 0.42 C ATOM 1843 CD LYS B 42 7.412 -12.943 -0.712 1.00 0.65 C ATOM 1844 CE LYS B 42 8.606 -13.551 -1.451 1.00 1.02 C ATOM 1845 NZ LYS B 42 9.222 -12.547 -2.363 1.00 1.68 N ATOM 0 H LYS B 42 4.407 -13.319 3.470 1.00 0.20 H new ATOM 0 HA LYS B 42 5.896 -15.442 1.953 1.00 0.21 H new ATOM 0 HB2 LYS B 42 5.789 -12.574 1.470 1.00 0.25 H new ATOM 0 HB3 LYS B 42 7.404 -12.997 2.004 1.00 0.25 H new ATOM 0 HG2 LYS B 42 7.464 -14.857 0.295 1.00 0.42 H new ATOM 0 HG3 LYS B 42 5.868 -14.388 -0.256 1.00 0.42 H new ATOM 0 HD2 LYS B 42 6.675 -12.576 -1.426 1.00 0.65 H new ATOM 0 HD3 LYS B 42 7.733 -12.087 -0.118 1.00 0.65 H new ATOM 0 HE2 LYS B 42 9.347 -13.900 -0.732 1.00 1.02 H new ATOM 0 HE3 LYS B 42 8.283 -14.421 -2.023 1.00 1.02 H new ATOM 0 HZ1 LYS B 42 10.031 -12.976 -2.856 1.00 1.68 H new ATOM 0 HZ2 LYS B 42 8.517 -12.233 -3.061 1.00 1.68 H new ATOM 0 HZ3 LYS B 42 9.549 -11.729 -1.809 1.00 1.68 H new ATOM 1859 N LEU B 43 7.484 -15.713 3.817 1.00 0.23 N ATOM 1860 CA LEU B 43 8.359 -15.942 5.006 1.00 0.24 C ATOM 1861 C LEU B 43 9.778 -15.431 4.735 1.00 0.28 C ATOM 1862 O LEU B 43 10.270 -15.514 3.626 1.00 0.33 O ATOM 1863 CB LEU B 43 8.415 -17.439 5.304 1.00 0.29 C ATOM 1864 CG LEU B 43 7.144 -17.853 6.041 1.00 0.35 C ATOM 1865 CD1 LEU B 43 5.927 -17.459 5.203 1.00 0.42 C ATOM 1866 CD2 LEU B 43 7.150 -19.370 6.240 1.00 0.50 C ATOM 0 H LEU B 43 7.495 -16.456 3.119 1.00 0.23 H new ATOM 0 HA LEU B 43 7.946 -15.402 5.858 1.00 0.24 H new ATOM 0 HB2 LEU B 43 8.512 -18.003 4.376 1.00 0.29 H new ATOM 0 HB3 LEU B 43 9.292 -17.669 5.909 1.00 0.29 H new ATOM 0 HG LEU B 43 7.100 -17.355 7.010 1.00 0.35 H new ATOM 0 HD11 LEU B 43 5.016 -17.752 5.724 1.00 0.42 H new ATOM 0 HD12 LEU B 43 5.925 -16.380 5.049 1.00 0.42 H new ATOM 0 HD13 LEU B 43 5.971 -17.964 4.238 1.00 0.42 H new ATOM 0 HD21 LEU B 43 6.244 -19.672 6.766 1.00 0.50 H new ATOM 0 HD22 LEU B 43 7.187 -19.864 5.269 1.00 0.50 H new ATOM 0 HD23 LEU B 43 8.023 -19.657 6.827 1.00 0.50 H new ATOM 1878 N SER B 44 10.399 -14.919 5.765 1.00 0.30 N ATOM 1879 CA SER B 44 11.793 -14.386 5.615 1.00 0.35 C ATOM 1880 C SER B 44 12.699 -15.391 4.890 1.00 0.38 C ATOM 1881 O SER B 44 13.589 -15.007 4.159 1.00 0.47 O ATOM 1882 CB SER B 44 12.369 -14.117 7.002 1.00 0.38 C ATOM 1883 OG SER B 44 13.188 -15.247 7.262 1.00 0.55 O ATOM 0 H SER B 44 10.006 -14.845 6.703 1.00 0.30 H new ATOM 0 HA SER B 44 11.751 -13.470 5.025 1.00 0.35 H new ATOM 0 HB2 SER B 44 12.947 -13.193 7.021 1.00 0.38 H new ATOM 0 HB3 SER B 44 11.581 -14.016 7.748 1.00 0.38 H new ATOM 0 HG SER B 44 13.604 -15.154 8.145 1.00 0.55 H new ATOM 1889 N ASP B 45 12.456 -16.653 5.106 1.00 0.38 N ATOM 1890 CA ASP B 45 13.314 -17.683 4.445 1.00 0.48 C ATOM 1891 C ASP B 45 13.247 -17.535 2.923 1.00 0.51 C ATOM 1892 O ASP B 45 13.960 -18.201 2.199 1.00 0.60 O ATOM 1893 CB ASP B 45 12.821 -19.072 4.845 1.00 0.53 C ATOM 1894 CG ASP B 45 11.294 -19.062 4.930 1.00 0.48 C ATOM 1895 OD1 ASP B 45 10.701 -18.670 3.939 1.00 1.18 O ATOM 1896 OD2 ASP B 45 10.808 -19.447 5.981 1.00 1.19 O ATOM 0 H ASP B 45 11.712 -17.016 5.702 1.00 0.38 H new ATOM 0 HA ASP B 45 14.347 -17.547 4.764 1.00 0.48 H new ATOM 0 HB2 ASP B 45 13.151 -19.812 4.115 1.00 0.53 H new ATOM 0 HB3 ASP B 45 13.248 -19.359 5.806 1.00 0.53 H new ATOM 1901 N GLY B 46 12.392 -16.663 2.472 1.00 0.45 N ATOM 1902 CA GLY B 46 12.265 -16.456 1.003 1.00 0.52 C ATOM 1903 C GLY B 46 11.229 -17.415 0.421 1.00 0.49 C ATOM 1904 O GLY B 46 11.311 -17.791 -0.733 1.00 0.58 O ATOM 0 H GLY B 46 11.780 -16.088 3.051 1.00 0.45 H new ATOM 0 HA2 GLY B 46 11.973 -15.426 0.798 1.00 0.52 H new ATOM 0 HA3 GLY B 46 13.230 -16.616 0.521 1.00 0.52 H new ATOM 1908 N ARG B 47 10.271 -17.788 1.235 1.00 0.40 N ATOM 1909 CA ARG B 47 9.214 -18.736 0.753 1.00 0.39 C ATOM 1910 C ARG B 47 7.855 -18.033 0.695 1.00 0.34 C ATOM 1911 O ARG B 47 7.675 -16.978 1.270 1.00 0.43 O ATOM 1912 CB ARG B 47 9.131 -19.920 1.716 1.00 0.41 C ATOM 1913 CG ARG B 47 10.505 -20.593 1.804 1.00 0.59 C ATOM 1914 CD ARG B 47 10.507 -21.595 2.961 1.00 1.03 C ATOM 1915 NE ARG B 47 9.652 -22.760 2.596 1.00 1.24 N ATOM 1916 CZ ARG B 47 10.157 -23.962 2.637 1.00 1.80 C ATOM 1917 NH1 ARG B 47 10.348 -24.528 3.797 1.00 2.46 N ATOM 1918 NH2 ARG B 47 10.456 -24.560 1.515 1.00 2.34 N ATOM 0 H ARG B 47 10.174 -17.481 2.203 1.00 0.40 H new ATOM 0 HA ARG B 47 9.473 -19.083 -0.247 1.00 0.39 H new ATOM 0 HB2 ARG B 47 8.815 -19.581 2.702 1.00 0.41 H new ATOM 0 HB3 ARG B 47 8.384 -20.634 1.370 1.00 0.41 H new ATOM 0 HG2 ARG B 47 10.734 -21.102 0.867 1.00 0.59 H new ATOM 0 HG3 ARG B 47 11.281 -19.843 1.957 1.00 0.59 H new ATOM 0 HD2 ARG B 47 11.524 -21.926 3.171 1.00 1.03 H new ATOM 0 HD3 ARG B 47 10.132 -21.123 3.869 1.00 1.03 H new ATOM 0 HE ARG B 47 8.681 -22.619 2.317 1.00 1.24 H new ATOM 0 HH11 ARG B 47 10.103 -24.031 4.653 1.00 2.46 H new ATOM 0 HH12 ARG B 47 10.742 -25.468 3.847 1.00 2.46 H new ATOM 0 HH21 ARG B 47 10.294 -24.087 0.626 1.00 2.34 H new ATOM 0 HH22 ARG B 47 10.852 -25.500 1.528 1.00 2.34 H new ATOM 1932 N GLU B 48 6.929 -18.639 -0.003 1.00 0.29 N ATOM 1933 CA GLU B 48 5.570 -18.029 -0.115 1.00 0.26 C ATOM 1934 C GLU B 48 4.494 -19.106 0.038 1.00 0.26 C ATOM 1935 O GLU B 48 4.527 -20.119 -0.633 1.00 0.33 O ATOM 1936 CB GLU B 48 5.431 -17.355 -1.481 1.00 0.31 C ATOM 1937 CG GLU B 48 5.209 -18.423 -2.553 1.00 1.22 C ATOM 1938 CD GLU B 48 5.513 -17.827 -3.929 1.00 1.52 C ATOM 1939 OE1 GLU B 48 6.553 -17.196 -4.029 1.00 2.19 O ATOM 1940 OE2 GLU B 48 4.687 -18.034 -4.803 1.00 1.71 O ATOM 0 H GLU B 48 7.053 -19.523 -0.497 1.00 0.29 H new ATOM 0 HA GLU B 48 5.443 -17.290 0.676 1.00 0.26 H new ATOM 0 HB2 GLU B 48 4.595 -16.655 -1.470 1.00 0.31 H new ATOM 0 HB3 GLU B 48 6.327 -16.778 -1.707 1.00 0.31 H new ATOM 0 HG2 GLU B 48 5.853 -19.282 -2.366 1.00 1.22 H new ATOM 0 HG3 GLU B 48 4.180 -18.782 -2.518 1.00 1.22 H new ATOM 1947 N LEU B 49 3.565 -18.859 0.926 1.00 0.24 N ATOM 1948 CA LEU B 49 2.467 -19.851 1.152 1.00 0.26 C ATOM 1949 C LEU B 49 1.106 -19.157 1.063 1.00 0.24 C ATOM 1950 O LEU B 49 1.025 -17.978 0.773 1.00 0.43 O ATOM 1951 CB LEU B 49 2.631 -20.470 2.539 1.00 0.32 C ATOM 1952 CG LEU B 49 3.944 -21.255 2.589 1.00 0.37 C ATOM 1953 CD1 LEU B 49 4.856 -20.643 3.653 1.00 0.75 C ATOM 1954 CD2 LEU B 49 3.647 -22.708 2.959 1.00 0.54 C ATOM 0 H LEU B 49 3.518 -18.019 1.502 1.00 0.24 H new ATOM 0 HA LEU B 49 2.520 -20.627 0.389 1.00 0.26 H new ATOM 0 HB2 LEU B 49 2.631 -19.690 3.301 1.00 0.32 H new ATOM 0 HB3 LEU B 49 1.791 -21.129 2.758 1.00 0.32 H new ATOM 0 HG LEU B 49 4.434 -21.215 1.616 1.00 0.37 H new ATOM 0 HD11 LEU B 49 5.793 -21.199 3.693 1.00 0.75 H new ATOM 0 HD12 LEU B 49 5.062 -19.603 3.401 1.00 0.75 H new ATOM 0 HD13 LEU B 49 4.364 -20.691 4.625 1.00 0.75 H new ATOM 0 HD21 LEU B 49 4.579 -23.272 2.996 1.00 0.54 H new ATOM 0 HD22 LEU B 49 3.163 -22.743 3.935 1.00 0.54 H new ATOM 0 HD23 LEU B 49 2.987 -23.147 2.210 1.00 0.54 H new ATOM 1966 N CYS B 50 0.064 -19.908 1.317 1.00 0.23 N ATOM 1967 CA CYS B 50 -1.309 -19.322 1.252 1.00 0.22 C ATOM 1968 C CYS B 50 -2.108 -19.709 2.499 1.00 0.22 C ATOM 1969 O CYS B 50 -2.127 -20.858 2.894 1.00 0.28 O ATOM 1970 CB CYS B 50 -2.016 -19.855 0.009 1.00 0.25 C ATOM 1971 SG CYS B 50 -1.466 -19.220 -1.592 1.00 0.54 S ATOM 0 H CYS B 50 0.104 -20.896 1.565 1.00 0.23 H new ATOM 0 HA CYS B 50 -1.236 -18.235 1.204 1.00 0.22 H new ATOM 0 HB2 CYS B 50 -1.907 -20.939 -0.002 1.00 0.25 H new ATOM 0 HB3 CYS B 50 -3.080 -19.643 0.109 1.00 0.25 H new ATOM 1976 N LEU B 51 -2.750 -18.734 3.089 1.00 0.22 N ATOM 1977 CA LEU B 51 -3.554 -19.012 4.318 1.00 0.24 C ATOM 1978 C LEU B 51 -5.050 -18.971 3.996 1.00 0.28 C ATOM 1979 O LEU B 51 -5.464 -18.351 3.036 1.00 0.34 O ATOM 1980 CB LEU B 51 -3.238 -17.951 5.371 1.00 0.24 C ATOM 1981 CG LEU B 51 -1.724 -17.743 5.442 1.00 0.31 C ATOM 1982 CD1 LEU B 51 -1.409 -16.740 6.552 1.00 0.37 C ATOM 1983 CD2 LEU B 51 -1.046 -19.077 5.759 1.00 0.44 C ATOM 0 H LEU B 51 -2.753 -17.763 2.776 1.00 0.22 H new ATOM 0 HA LEU B 51 -3.300 -20.003 4.693 1.00 0.24 H new ATOM 0 HB2 LEU B 51 -3.734 -17.014 5.119 1.00 0.24 H new ATOM 0 HB3 LEU B 51 -3.620 -18.262 6.343 1.00 0.24 H new ATOM 0 HG LEU B 51 -1.358 -17.364 4.488 1.00 0.31 H new ATOM 0 HD11 LEU B 51 -0.331 -16.587 6.609 1.00 0.37 H new ATOM 0 HD12 LEU B 51 -1.900 -15.791 6.335 1.00 0.37 H new ATOM 0 HD13 LEU B 51 -1.771 -17.126 7.505 1.00 0.37 H new ATOM 0 HD21 LEU B 51 0.033 -18.933 5.811 1.00 0.44 H new ATOM 0 HD22 LEU B 51 -1.408 -19.451 6.717 1.00 0.44 H new ATOM 0 HD23 LEU B 51 -1.279 -19.799 4.976 1.00 0.44 H new ATOM 1995 N ASP B 52 -5.824 -19.633 4.813 1.00 0.31 N ATOM 1996 CA ASP B 52 -7.299 -19.651 4.588 1.00 0.37 C ATOM 1997 C ASP B 52 -8.001 -18.755 5.649 1.00 0.32 C ATOM 1998 O ASP B 52 -8.038 -19.114 6.809 1.00 0.31 O ATOM 1999 CB ASP B 52 -7.794 -21.086 4.755 1.00 0.48 C ATOM 2000 CG ASP B 52 -9.085 -21.272 3.956 1.00 0.66 C ATOM 2001 OD1 ASP B 52 -9.802 -20.290 3.849 1.00 0.61 O ATOM 2002 OD2 ASP B 52 -9.283 -22.386 3.499 1.00 1.05 O ATOM 0 H ASP B 52 -5.501 -20.161 5.624 1.00 0.31 H new ATOM 0 HA ASP B 52 -7.525 -19.278 3.589 1.00 0.37 H new ATOM 0 HB2 ASP B 52 -7.035 -21.787 4.409 1.00 0.48 H new ATOM 0 HB3 ASP B 52 -7.971 -21.302 5.809 1.00 0.48 H new ATOM 2007 N PRO B 53 -8.551 -17.601 5.249 1.00 0.39 N ATOM 2008 CA PRO B 53 -9.219 -16.719 6.217 1.00 0.44 C ATOM 2009 C PRO B 53 -10.377 -17.455 6.896 1.00 0.45 C ATOM 2010 O PRO B 53 -11.034 -16.920 7.766 1.00 0.57 O ATOM 2011 CB PRO B 53 -9.735 -15.529 5.400 1.00 0.58 C ATOM 2012 CG PRO B 53 -9.265 -15.737 3.929 1.00 0.62 C ATOM 2013 CD PRO B 53 -8.565 -17.106 3.857 1.00 0.49 C ATOM 0 HA PRO B 53 -8.543 -16.397 7.009 1.00 0.44 H new ATOM 0 HB2 PRO B 53 -10.822 -15.471 5.451 1.00 0.58 H new ATOM 0 HB3 PRO B 53 -9.346 -14.592 5.799 1.00 0.58 H new ATOM 0 HG2 PRO B 53 -10.114 -15.704 3.247 1.00 0.62 H new ATOM 0 HG3 PRO B 53 -8.583 -14.941 3.628 1.00 0.62 H new ATOM 0 HD2 PRO B 53 -9.102 -17.790 3.200 1.00 0.49 H new ATOM 0 HD3 PRO B 53 -7.554 -17.012 3.461 1.00 0.49 H new ATOM 2021 N LYS B 54 -10.598 -18.671 6.479 1.00 0.39 N ATOM 2022 CA LYS B 54 -11.695 -19.464 7.082 1.00 0.45 C ATOM 2023 C LYS B 54 -11.274 -19.999 8.455 1.00 0.44 C ATOM 2024 O LYS B 54 -12.094 -20.492 9.206 1.00 0.50 O ATOM 2025 CB LYS B 54 -12.026 -20.635 6.157 1.00 0.48 C ATOM 2026 CG LYS B 54 -13.391 -21.211 6.540 1.00 0.91 C ATOM 2027 CD LYS B 54 -13.753 -22.332 5.565 1.00 1.26 C ATOM 2028 CE LYS B 54 -15.133 -22.885 5.927 1.00 1.89 C ATOM 2029 NZ LYS B 54 -16.160 -22.392 4.966 1.00 2.75 N ATOM 0 H LYS B 54 -10.066 -19.145 5.749 1.00 0.39 H new ATOM 0 HA LYS B 54 -12.571 -18.828 7.209 1.00 0.45 H new ATOM 0 HB2 LYS B 54 -12.037 -20.302 5.119 1.00 0.48 H new ATOM 0 HB3 LYS B 54 -11.258 -21.405 6.237 1.00 0.48 H new ATOM 0 HG2 LYS B 54 -13.365 -21.594 7.560 1.00 0.91 H new ATOM 0 HG3 LYS B 54 -14.150 -20.429 6.513 1.00 0.91 H new ATOM 0 HD2 LYS B 54 -13.756 -21.955 4.542 1.00 1.26 H new ATOM 0 HD3 LYS B 54 -13.007 -23.125 5.610 1.00 1.26 H new ATOM 0 HE2 LYS B 54 -15.109 -23.975 5.916 1.00 1.89 H new ATOM 0 HE3 LYS B 54 -15.399 -22.582 6.940 1.00 1.89 H new ATOM 0 HZ1 LYS B 54 -17.091 -22.776 5.225 1.00 2.75 H new ATOM 0 HZ2 LYS B 54 -16.194 -21.353 4.996 1.00 2.75 H new ATOM 0 HZ3 LYS B 54 -15.913 -22.702 4.005 1.00 2.75 H new ATOM 2043 N GLU B 55 -10.002 -19.889 8.756 1.00 0.40 N ATOM 2044 CA GLU B 55 -9.513 -20.392 10.079 1.00 0.40 C ATOM 2045 C GLU B 55 -9.320 -19.222 11.050 1.00 0.40 C ATOM 2046 O GLU B 55 -8.817 -18.180 10.683 1.00 0.39 O ATOM 2047 CB GLU B 55 -8.185 -21.118 9.883 1.00 0.38 C ATOM 2048 CG GLU B 55 -8.351 -22.198 8.812 1.00 0.42 C ATOM 2049 CD GLU B 55 -8.058 -23.569 9.425 1.00 0.94 C ATOM 2050 OE1 GLU B 55 -8.718 -23.877 10.403 1.00 1.65 O ATOM 2051 OE2 GLU B 55 -7.190 -24.231 8.880 1.00 1.35 O ATOM 0 H GLU B 55 -9.290 -19.479 8.152 1.00 0.40 H new ATOM 0 HA GLU B 55 -10.250 -21.078 10.496 1.00 0.40 H new ATOM 0 HB2 GLU B 55 -7.411 -20.410 9.585 1.00 0.38 H new ATOM 0 HB3 GLU B 55 -7.861 -21.568 10.822 1.00 0.38 H new ATOM 0 HG2 GLU B 55 -9.364 -22.176 8.411 1.00 0.42 H new ATOM 0 HG3 GLU B 55 -7.674 -22.007 7.979 1.00 0.42 H new ATOM 2058 N ASN B 56 -9.718 -19.428 12.274 1.00 0.44 N ATOM 2059 CA ASN B 56 -9.583 -18.337 13.283 1.00 0.45 C ATOM 2060 C ASN B 56 -8.109 -18.027 13.568 1.00 0.42 C ATOM 2061 O ASN B 56 -7.737 -16.879 13.709 1.00 0.42 O ATOM 2062 CB ASN B 56 -10.270 -18.771 14.577 1.00 0.50 C ATOM 2063 CG ASN B 56 -11.710 -18.258 14.581 1.00 1.08 C ATOM 2064 OD1 ASN B 56 -12.278 -17.957 13.550 1.00 1.79 O ATOM 2065 ND2 ASN B 56 -12.339 -18.143 15.719 1.00 1.84 N ATOM 0 H ASN B 56 -10.128 -20.296 12.619 1.00 0.44 H new ATOM 0 HA ASN B 56 -10.050 -17.435 12.887 1.00 0.45 H new ATOM 0 HB2 ASN B 56 -10.259 -19.858 14.661 1.00 0.50 H new ATOM 0 HB3 ASN B 56 -9.730 -18.379 15.438 1.00 0.50 H new ATOM 0 HD21 ASN B 56 -13.300 -17.803 15.738 1.00 1.84 H new ATOM 0 HD22 ASN B 56 -11.869 -18.394 16.589 1.00 1.84 H new ATOM 2072 N TRP B 57 -7.293 -19.046 13.649 1.00 0.41 N ATOM 2073 CA TRP B 57 -5.852 -18.786 13.940 1.00 0.39 C ATOM 2074 C TRP B 57 -5.219 -17.959 12.820 1.00 0.35 C ATOM 2075 O TRP B 57 -4.210 -17.319 13.021 1.00 0.37 O ATOM 2076 CB TRP B 57 -5.093 -20.110 14.111 1.00 0.39 C ATOM 2077 CG TRP B 57 -5.183 -20.960 12.834 1.00 0.38 C ATOM 2078 CD1 TRP B 57 -6.068 -21.934 12.649 1.00 0.40 C ATOM 2079 CD2 TRP B 57 -4.362 -20.869 11.800 1.00 0.35 C ATOM 2080 NE1 TRP B 57 -5.744 -22.435 11.447 1.00 0.39 N ATOM 2081 CE2 TRP B 57 -4.676 -21.820 10.842 1.00 0.36 C ATOM 2082 CE3 TRP B 57 -3.305 -20.001 11.577 1.00 0.33 C ATOM 2083 CZ2 TRP B 57 -3.942 -21.903 9.675 1.00 0.35 C ATOM 2084 CZ3 TRP B 57 -2.573 -20.086 10.407 1.00 0.31 C ATOM 2085 CH2 TRP B 57 -2.892 -21.037 9.458 1.00 0.33 C ATOM 0 H TRP B 57 -7.553 -20.025 13.529 1.00 0.41 H new ATOM 0 HA TRP B 57 -5.787 -18.221 14.870 1.00 0.39 H new ATOM 0 HB2 TRP B 57 -4.048 -19.908 14.345 1.00 0.39 H new ATOM 0 HB3 TRP B 57 -5.507 -20.665 14.953 1.00 0.39 H new ATOM 0 HD1 TRP B 57 -6.862 -22.248 13.311 1.00 0.40 H new ATOM 0 HE1 TRP B 57 -6.250 -23.210 11.018 1.00 0.39 H new ATOM 0 HE3 TRP B 57 -3.053 -19.257 12.318 1.00 0.33 H new ATOM 0 HZ2 TRP B 57 -4.191 -22.647 8.932 1.00 0.35 H new ATOM 0 HZ3 TRP B 57 -1.750 -19.408 10.235 1.00 0.31 H new ATOM 0 HH2 TRP B 57 -2.318 -21.102 8.545 1.00 0.33 H new ATOM 2096 N VAL B 58 -5.819 -17.981 11.664 1.00 0.34 N ATOM 2097 CA VAL B 58 -5.244 -17.184 10.544 1.00 0.31 C ATOM 2098 C VAL B 58 -5.558 -15.709 10.758 1.00 0.32 C ATOM 2099 O VAL B 58 -4.735 -14.851 10.513 1.00 0.31 O ATOM 2100 CB VAL B 58 -5.856 -17.652 9.221 1.00 0.31 C ATOM 2101 CG1 VAL B 58 -5.739 -16.536 8.183 1.00 0.30 C ATOM 2102 CG2 VAL B 58 -5.103 -18.882 8.726 1.00 0.31 C ATOM 0 H VAL B 58 -6.667 -18.505 11.447 1.00 0.34 H new ATOM 0 HA VAL B 58 -4.163 -17.323 10.513 1.00 0.31 H new ATOM 0 HB VAL B 58 -6.907 -17.900 9.372 1.00 0.31 H new ATOM 0 HG11 VAL B 58 -6.174 -16.868 7.241 1.00 0.30 H new ATOM 0 HG12 VAL B 58 -6.271 -15.653 8.537 1.00 0.30 H new ATOM 0 HG13 VAL B 58 -4.688 -16.290 8.030 1.00 0.30 H new ATOM 0 HG21 VAL B 58 -5.536 -19.219 7.784 1.00 0.31 H new ATOM 0 HG22 VAL B 58 -4.054 -18.629 8.574 1.00 0.31 H new ATOM 0 HG23 VAL B 58 -5.181 -19.678 9.466 1.00 0.31 H new ATOM 2112 N GLN B 59 -6.745 -15.449 11.215 1.00 0.36 N ATOM 2113 CA GLN B 59 -7.135 -14.039 11.465 1.00 0.38 C ATOM 2114 C GLN B 59 -6.323 -13.482 12.636 1.00 0.38 C ATOM 2115 O GLN B 59 -6.191 -12.289 12.791 1.00 0.39 O ATOM 2116 CB GLN B 59 -8.623 -13.993 11.811 1.00 0.42 C ATOM 2117 CG GLN B 59 -9.151 -12.579 11.569 1.00 0.45 C ATOM 2118 CD GLN B 59 -10.644 -12.533 11.897 1.00 1.26 C ATOM 2119 OE1 GLN B 59 -11.177 -13.416 12.539 1.00 1.97 O ATOM 2120 NE2 GLN B 59 -11.355 -11.523 11.477 1.00 2.02 N ATOM 0 H GLN B 59 -7.459 -16.146 11.426 1.00 0.36 H new ATOM 0 HA GLN B 59 -6.941 -13.439 10.576 1.00 0.38 H new ATOM 0 HB2 GLN B 59 -9.173 -14.709 11.200 1.00 0.42 H new ATOM 0 HB3 GLN B 59 -8.776 -14.278 12.852 1.00 0.42 H new ATOM 0 HG2 GLN B 59 -8.609 -11.865 12.189 1.00 0.45 H new ATOM 0 HG3 GLN B 59 -8.986 -12.290 10.531 1.00 0.45 H new ATOM 0 HE21 GLN B 59 -10.914 -10.778 10.938 1.00 2.02 H new ATOM 0 HE22 GLN B 59 -12.352 -11.478 11.688 1.00 2.02 H new ATOM 2129 N ARG B 60 -5.783 -14.368 13.430 1.00 0.38 N ATOM 2130 CA ARG B 60 -4.991 -13.914 14.609 1.00 0.39 C ATOM 2131 C ARG B 60 -3.521 -13.679 14.236 1.00 0.36 C ATOM 2132 O ARG B 60 -3.014 -12.585 14.385 1.00 0.38 O ATOM 2133 CB ARG B 60 -5.073 -14.980 15.699 1.00 0.41 C ATOM 2134 CG ARG B 60 -5.452 -14.320 17.025 1.00 0.86 C ATOM 2135 CD ARG B 60 -5.523 -15.389 18.117 1.00 1.03 C ATOM 2136 NE ARG B 60 -5.306 -14.743 19.440 1.00 1.82 N ATOM 2137 CZ ARG B 60 -6.098 -15.035 20.434 1.00 2.22 C ATOM 2138 NH1 ARG B 60 -6.442 -16.279 20.623 1.00 2.55 N ATOM 2139 NH2 ARG B 60 -6.521 -14.071 21.206 1.00 2.85 N ATOM 0 H ARG B 60 -5.855 -15.379 13.314 1.00 0.38 H new ATOM 0 HA ARG B 60 -5.405 -12.970 14.964 1.00 0.39 H new ATOM 0 HB2 ARG B 60 -5.813 -15.734 15.431 1.00 0.41 H new ATOM 0 HB3 ARG B 60 -4.116 -15.492 15.795 1.00 0.41 H new ATOM 0 HG2 ARG B 60 -4.716 -13.561 17.290 1.00 0.86 H new ATOM 0 HG3 ARG B 60 -6.413 -13.814 16.932 1.00 0.86 H new ATOM 0 HD2 ARG B 60 -6.493 -15.886 18.095 1.00 1.03 H new ATOM 0 HD3 ARG B 60 -4.768 -16.156 17.944 1.00 1.03 H new ATOM 0 HE ARG B 60 -4.544 -14.077 19.568 1.00 1.82 H new ATOM 0 HH11 ARG B 60 -6.092 -17.005 19.998 1.00 2.55 H new ATOM 0 HH12 ARG B 60 -7.061 -16.525 21.396 1.00 2.55 H new ATOM 0 HH21 ARG B 60 -6.231 -13.110 21.027 1.00 2.85 H new ATOM 0 HH22 ARG B 60 -7.141 -14.279 21.989 1.00 2.85 H new ATOM 2153 N VAL B 61 -2.860 -14.705 13.758 1.00 0.32 N ATOM 2154 CA VAL B 61 -1.429 -14.529 13.398 1.00 0.30 C ATOM 2155 C VAL B 61 -1.296 -13.404 12.366 1.00 0.28 C ATOM 2156 O VAL B 61 -0.318 -12.682 12.348 1.00 0.26 O ATOM 2157 CB VAL B 61 -0.892 -15.847 12.834 1.00 0.29 C ATOM 2158 CG1 VAL B 61 -1.142 -16.967 13.851 1.00 0.37 C ATOM 2159 CG2 VAL B 61 -1.620 -16.166 11.525 1.00 0.34 C ATOM 0 H VAL B 61 -3.245 -15.637 13.606 1.00 0.32 H new ATOM 0 HA VAL B 61 -0.849 -14.258 14.280 1.00 0.30 H new ATOM 0 HB VAL B 61 0.178 -15.763 12.643 1.00 0.29 H new ATOM 0 HG11 VAL B 61 -0.762 -17.909 13.456 1.00 0.37 H new ATOM 0 HG12 VAL B 61 -0.630 -16.732 14.784 1.00 0.37 H new ATOM 0 HG13 VAL B 61 -2.212 -17.057 14.037 1.00 0.37 H new ATOM 0 HG21 VAL B 61 -1.242 -17.104 11.118 1.00 0.34 H new ATOM 0 HG22 VAL B 61 -2.689 -16.258 11.716 1.00 0.34 H new ATOM 0 HG23 VAL B 61 -1.448 -15.363 10.808 1.00 0.34 H new ATOM 2169 N VAL B 62 -2.291 -13.274 11.533 1.00 0.29 N ATOM 2170 CA VAL B 62 -2.247 -12.188 10.516 1.00 0.28 C ATOM 2171 C VAL B 62 -2.531 -10.847 11.196 1.00 0.30 C ATOM 2172 O VAL B 62 -1.909 -9.848 10.891 1.00 0.30 O ATOM 2173 CB VAL B 62 -3.304 -12.456 9.444 1.00 0.30 C ATOM 2174 CG1 VAL B 62 -3.386 -11.251 8.506 1.00 0.31 C ATOM 2175 CG2 VAL B 62 -2.903 -13.693 8.640 1.00 0.32 C ATOM 0 H VAL B 62 -3.122 -13.865 11.512 1.00 0.29 H new ATOM 0 HA VAL B 62 -1.261 -12.157 10.052 1.00 0.28 H new ATOM 0 HB VAL B 62 -4.273 -12.622 9.916 1.00 0.30 H new ATOM 0 HG11 VAL B 62 -4.138 -11.437 7.740 1.00 0.31 H new ATOM 0 HG12 VAL B 62 -3.661 -10.364 9.077 1.00 0.31 H new ATOM 0 HG13 VAL B 62 -2.417 -11.092 8.032 1.00 0.31 H new ATOM 0 HG21 VAL B 62 -3.654 -13.888 7.874 1.00 0.32 H new ATOM 0 HG22 VAL B 62 -1.937 -13.521 8.166 1.00 0.32 H new ATOM 0 HG23 VAL B 62 -2.832 -14.553 9.306 1.00 0.32 H new ATOM 2185 N GLU B 63 -3.469 -10.853 12.110 1.00 0.33 N ATOM 2186 CA GLU B 63 -3.796 -9.588 12.829 1.00 0.36 C ATOM 2187 C GLU B 63 -2.561 -9.081 13.571 1.00 0.33 C ATOM 2188 O GLU B 63 -2.284 -7.899 13.589 1.00 0.35 O ATOM 2189 CB GLU B 63 -4.913 -9.853 13.838 1.00 0.41 C ATOM 2190 CG GLU B 63 -5.091 -8.621 14.724 1.00 0.50 C ATOM 2191 CD GLU B 63 -6.530 -8.572 15.239 1.00 1.24 C ATOM 2192 OE1 GLU B 63 -6.788 -9.285 16.195 1.00 1.89 O ATOM 2193 OE2 GLU B 63 -7.292 -7.824 14.647 1.00 1.87 O ATOM 0 H GLU B 63 -4.015 -11.669 12.386 1.00 0.33 H new ATOM 0 HA GLU B 63 -4.119 -8.838 12.107 1.00 0.36 H new ATOM 0 HB2 GLU B 63 -5.844 -10.079 13.318 1.00 0.41 H new ATOM 0 HB3 GLU B 63 -4.670 -10.723 14.448 1.00 0.41 H new ATOM 0 HG2 GLU B 63 -4.394 -8.657 15.561 1.00 0.50 H new ATOM 0 HG3 GLU B 63 -4.864 -7.717 14.159 1.00 0.50 H new ATOM 2200 N LYS B 64 -1.841 -9.991 14.173 1.00 0.31 N ATOM 2201 CA LYS B 64 -0.622 -9.574 14.916 1.00 0.31 C ATOM 2202 C LYS B 64 0.384 -8.938 13.955 1.00 0.27 C ATOM 2203 O LYS B 64 1.002 -7.941 14.275 1.00 0.28 O ATOM 2204 CB LYS B 64 0.003 -10.797 15.586 1.00 0.32 C ATOM 2205 CG LYS B 64 -0.427 -10.835 17.055 1.00 0.46 C ATOM 2206 CD LYS B 64 0.148 -12.088 17.718 1.00 1.03 C ATOM 2207 CE LYS B 64 -0.353 -12.163 19.162 1.00 1.35 C ATOM 2208 NZ LYS B 64 0.640 -12.865 20.023 1.00 1.87 N ATOM 0 H LYS B 64 -2.042 -10.991 14.182 1.00 0.31 H new ATOM 0 HA LYS B 64 -0.894 -8.841 15.676 1.00 0.31 H new ATOM 0 HB2 LYS B 64 -0.313 -11.708 15.077 1.00 0.32 H new ATOM 0 HB3 LYS B 64 1.090 -10.752 15.513 1.00 0.32 H new ATOM 0 HG2 LYS B 64 -0.075 -9.942 17.572 1.00 0.46 H new ATOM 0 HG3 LYS B 64 -1.515 -10.838 17.128 1.00 0.46 H new ATOM 0 HD2 LYS B 64 -0.156 -12.978 17.167 1.00 1.03 H new ATOM 0 HD3 LYS B 64 1.237 -12.058 17.699 1.00 1.03 H new ATOM 0 HE2 LYS B 64 -0.529 -11.158 19.545 1.00 1.35 H new ATOM 0 HE3 LYS B 64 -1.308 -12.688 19.195 1.00 1.35 H new ATOM 0 HZ1 LYS B 64 0.284 -12.907 20.999 1.00 1.87 H new ATOM 0 HZ2 LYS B 64 0.788 -13.831 19.666 1.00 1.87 H new ATOM 0 HZ3 LYS B 64 1.542 -12.348 20.005 1.00 1.87 H new ATOM 2222 N PHE B 65 0.529 -9.522 12.795 1.00 0.24 N ATOM 2223 CA PHE B 65 1.488 -8.943 11.811 1.00 0.21 C ATOM 2224 C PHE B 65 1.153 -7.473 11.553 1.00 0.24 C ATOM 2225 O PHE B 65 2.029 -6.632 11.518 1.00 0.25 O ATOM 2226 CB PHE B 65 1.409 -9.706 10.502 1.00 0.19 C ATOM 2227 CG PHE B 65 2.349 -9.044 9.490 1.00 0.17 C ATOM 2228 CD1 PHE B 65 3.722 -9.144 9.637 1.00 0.18 C ATOM 2229 CD2 PHE B 65 1.840 -8.332 8.417 1.00 0.19 C ATOM 2230 CE1 PHE B 65 4.570 -8.542 8.728 1.00 0.18 C ATOM 2231 CE2 PHE B 65 2.690 -7.732 7.509 1.00 0.19 C ATOM 2232 CZ PHE B 65 4.054 -7.837 7.665 1.00 0.18 C ATOM 0 H PHE B 65 0.034 -10.360 12.490 1.00 0.24 H new ATOM 0 HA PHE B 65 2.495 -9.020 12.220 1.00 0.21 H new ATOM 0 HB2 PHE B 65 1.691 -10.748 10.654 1.00 0.19 H new ATOM 0 HB3 PHE B 65 0.386 -9.705 10.125 1.00 0.19 H new ATOM 0 HD1 PHE B 65 4.133 -9.697 10.469 1.00 0.18 H new ATOM 0 HD2 PHE B 65 0.771 -8.245 8.289 1.00 0.19 H new ATOM 0 HE1 PHE B 65 5.640 -8.625 8.852 1.00 0.18 H new ATOM 0 HE2 PHE B 65 2.284 -7.179 6.675 1.00 0.19 H new ATOM 0 HZ PHE B 65 4.718 -7.367 6.954 1.00 0.18 H new ATOM 2242 N LEU B 66 -0.110 -7.194 11.375 1.00 0.29 N ATOM 2243 CA LEU B 66 -0.519 -5.782 11.114 1.00 0.35 C ATOM 2244 C LEU B 66 -0.247 -4.914 12.348 1.00 0.35 C ATOM 2245 O LEU B 66 0.261 -3.816 12.238 1.00 0.37 O ATOM 2246 CB LEU B 66 -2.010 -5.747 10.785 1.00 0.44 C ATOM 2247 CG LEU B 66 -2.198 -5.935 9.279 1.00 0.61 C ATOM 2248 CD1 LEU B 66 -3.580 -6.534 9.016 1.00 1.12 C ATOM 2249 CD2 LEU B 66 -2.097 -4.576 8.583 1.00 0.76 C ATOM 0 H LEU B 66 -0.870 -7.874 11.398 1.00 0.29 H new ATOM 0 HA LEU B 66 0.057 -5.391 10.275 1.00 0.35 H new ATOM 0 HB2 LEU B 66 -2.533 -6.533 11.330 1.00 0.44 H new ATOM 0 HB3 LEU B 66 -2.442 -4.798 11.102 1.00 0.44 H new ATOM 0 HG LEU B 66 -1.427 -6.602 8.893 1.00 0.61 H new ATOM 0 HD11 LEU B 66 -3.719 -6.670 7.944 1.00 1.12 H new ATOM 0 HD12 LEU B 66 -3.660 -7.498 9.518 1.00 1.12 H new ATOM 0 HD13 LEU B 66 -4.347 -5.861 9.399 1.00 1.12 H new ATOM 0 HD21 LEU B 66 -2.231 -4.706 7.509 1.00 0.76 H new ATOM 0 HD22 LEU B 66 -2.871 -3.912 8.967 1.00 0.76 H new ATOM 0 HD23 LEU B 66 -1.117 -4.140 8.776 1.00 0.76 H new ATOM 2261 N LYS B 67 -0.592 -5.427 13.498 1.00 0.38 N ATOM 2262 CA LYS B 67 -0.359 -4.645 14.748 1.00 0.42 C ATOM 2263 C LYS B 67 1.144 -4.504 15.011 1.00 0.39 C ATOM 2264 O LYS B 67 1.579 -3.569 15.653 1.00 0.44 O ATOM 2265 CB LYS B 67 -1.016 -5.370 15.921 1.00 0.47 C ATOM 2266 CG LYS B 67 -1.625 -4.335 16.870 1.00 0.98 C ATOM 2267 CD LYS B 67 -1.907 -4.996 18.217 1.00 1.37 C ATOM 2268 CE LYS B 67 -2.470 -3.949 19.188 1.00 1.68 C ATOM 2269 NZ LYS B 67 -3.030 -4.629 20.387 1.00 2.37 N ATOM 0 H LYS B 67 -1.021 -6.344 13.627 1.00 0.38 H new ATOM 0 HA LYS B 67 -0.792 -3.651 14.636 1.00 0.42 H new ATOM 0 HB2 LYS B 67 -1.788 -6.049 15.559 1.00 0.47 H new ATOM 0 HB3 LYS B 67 -0.280 -5.977 16.448 1.00 0.47 H new ATOM 0 HG2 LYS B 67 -0.942 -3.495 16.999 1.00 0.98 H new ATOM 0 HG3 LYS B 67 -2.546 -3.934 16.448 1.00 0.98 H new ATOM 0 HD2 LYS B 67 -2.618 -5.813 18.092 1.00 1.37 H new ATOM 0 HD3 LYS B 67 -0.992 -5.429 18.621 1.00 1.37 H new ATOM 0 HE2 LYS B 67 -1.684 -3.255 19.485 1.00 1.68 H new ATOM 0 HE3 LYS B 67 -3.245 -3.362 18.696 1.00 1.68 H new ATOM 0 HZ1 LYS B 67 -3.411 -3.918 21.043 1.00 2.37 H new ATOM 0 HZ2 LYS B 67 -3.792 -5.274 20.096 1.00 2.37 H new ATOM 0 HZ3 LYS B 67 -2.279 -5.171 20.861 1.00 2.37 H new ATOM 2283 N ARG B 68 1.905 -5.438 14.508 1.00 0.33 N ATOM 2284 CA ARG B 68 3.381 -5.375 14.719 1.00 0.34 C ATOM 2285 C ARG B 68 4.026 -4.438 13.692 1.00 0.34 C ATOM 2286 O ARG B 68 4.863 -3.625 14.032 1.00 0.39 O ATOM 2287 CB ARG B 68 3.966 -6.779 14.567 1.00 0.35 C ATOM 2288 CG ARG B 68 5.485 -6.708 14.736 1.00 0.43 C ATOM 2289 CD ARG B 68 5.951 -7.892 15.588 1.00 0.94 C ATOM 2290 NE ARG B 68 7.424 -8.052 15.426 1.00 1.59 N ATOM 2291 CZ ARG B 68 8.112 -8.641 16.366 1.00 2.24 C ATOM 2292 NH1 ARG B 68 7.475 -9.200 17.359 1.00 2.82 N ATOM 2293 NH2 ARG B 68 9.414 -8.654 16.281 1.00 2.88 N ATOM 0 H ARG B 68 1.573 -6.235 13.965 1.00 0.33 H new ATOM 0 HA ARG B 68 3.585 -4.992 15.719 1.00 0.34 H new ATOM 0 HB2 ARG B 68 3.535 -7.449 15.312 1.00 0.35 H new ATOM 0 HB3 ARG B 68 3.715 -7.187 13.588 1.00 0.35 H new ATOM 0 HG2 ARG B 68 5.973 -6.731 13.762 1.00 0.43 H new ATOM 0 HG3 ARG B 68 5.767 -5.769 15.212 1.00 0.43 H new ATOM 0 HD2 ARG B 68 5.703 -7.723 16.636 1.00 0.94 H new ATOM 0 HD3 ARG B 68 5.437 -8.803 15.281 1.00 0.94 H new ATOM 0 HE ARG B 68 7.890 -7.704 14.588 1.00 1.59 H new ATOM 0 HH11 ARG B 68 6.456 -9.172 17.391 1.00 2.82 H new ATOM 0 HH12 ARG B 68 7.996 -9.665 18.102 1.00 2.82 H new ATOM 0 HH21 ARG B 68 9.878 -8.209 15.489 1.00 2.88 H new ATOM 0 HH22 ARG B 68 9.968 -9.110 17.006 1.00 2.88 H new ATOM 2307 N ALA B 69 3.622 -4.570 12.459 1.00 0.30 N ATOM 2308 CA ALA B 69 4.202 -3.693 11.400 1.00 0.32 C ATOM 2309 C ALA B 69 3.727 -2.249 11.597 1.00 0.38 C ATOM 2310 O ALA B 69 4.363 -1.317 11.147 1.00 0.42 O ATOM 2311 CB ALA B 69 3.755 -4.197 10.028 1.00 0.29 C ATOM 0 H ALA B 69 2.922 -5.240 12.139 1.00 0.30 H new ATOM 0 HA ALA B 69 5.290 -3.720 11.465 1.00 0.32 H new ATOM 0 HB1 ALA B 69 4.176 -3.559 9.251 1.00 0.29 H new ATOM 0 HB2 ALA B 69 4.102 -5.220 9.885 1.00 0.29 H new ATOM 0 HB3 ALA B 69 2.667 -4.171 9.968 1.00 0.29 H new ATOM 2317 N GLU B 70 2.617 -2.097 12.266 1.00 0.43 N ATOM 2318 CA GLU B 70 2.086 -0.724 12.504 1.00 0.50 C ATOM 2319 C GLU B 70 2.780 -0.094 13.715 1.00 0.55 C ATOM 2320 O GLU B 70 3.129 1.070 13.698 1.00 0.60 O ATOM 2321 CB GLU B 70 0.581 -0.809 12.763 1.00 0.53 C ATOM 2322 CG GLU B 70 0.022 0.606 12.944 1.00 0.66 C ATOM 2323 CD GLU B 70 -1.501 0.536 13.070 1.00 1.20 C ATOM 2324 OE1 GLU B 70 -2.125 0.392 12.031 1.00 1.84 O ATOM 2325 OE2 GLU B 70 -1.956 0.631 14.199 1.00 1.91 O ATOM 0 H GLU B 70 2.059 -2.857 12.655 1.00 0.43 H new ATOM 0 HA GLU B 70 2.277 -0.105 11.627 1.00 0.50 H new ATOM 0 HB2 GLU B 70 0.084 -1.306 11.930 1.00 0.53 H new ATOM 0 HB3 GLU B 70 0.386 -1.407 13.653 1.00 0.53 H new ATOM 0 HG2 GLU B 70 0.451 1.068 13.833 1.00 0.66 H new ATOM 0 HG3 GLU B 70 0.300 1.230 12.095 1.00 0.66 H new ATOM 2332 N ASN B 71 2.964 -0.877 14.742 1.00 0.54 N ATOM 2333 CA ASN B 71 3.634 -0.342 15.963 1.00 0.61 C ATOM 2334 C ASN B 71 5.118 -0.082 15.681 1.00 0.65 C ATOM 2335 O ASN B 71 5.733 0.760 16.303 1.00 0.81 O ATOM 2336 CB ASN B 71 3.501 -1.361 17.092 1.00 0.66 C ATOM 2337 CG ASN B 71 4.435 -0.971 18.239 1.00 0.79 C ATOM 2338 OD1 ASN B 71 5.630 -1.178 18.177 1.00 1.18 O ATOM 2339 ND2 ASN B 71 3.933 -0.404 19.301 1.00 1.45 N ATOM 0 H ASN B 71 2.683 -1.856 14.790 1.00 0.54 H new ATOM 0 HA ASN B 71 3.161 0.597 16.251 1.00 0.61 H new ATOM 0 HB2 ASN B 71 2.470 -1.398 17.444 1.00 0.66 H new ATOM 0 HB3 ASN B 71 3.750 -2.358 16.728 1.00 0.66 H new ATOM 0 HD21 ASN B 71 4.543 -0.137 20.073 1.00 1.45 H new ATOM 0 HD22 ASN B 71 2.930 -0.227 19.359 1.00 1.45 H new ATOM 2346 N SER B 72 5.660 -0.815 14.746 1.00 0.57 N ATOM 2347 CA SER B 72 7.102 -0.624 14.409 1.00 0.64 C ATOM 2348 C SER B 72 7.354 0.819 13.963 1.00 0.84 C ATOM 2349 O SER B 72 8.413 1.033 13.396 1.00 1.43 O ATOM 2350 CB SER B 72 7.482 -1.582 13.281 1.00 0.65 C ATOM 2351 OG SER B 72 8.800 -1.996 13.607 1.00 1.33 O ATOM 2352 OXT SER B 72 6.472 1.625 14.214 1.00 1.42 O ATOM 0 H SER B 72 5.174 -1.531 14.206 1.00 0.57 H new ATOM 0 HA SER B 72 7.708 -0.830 15.291 1.00 0.64 H new ATOM 0 HB2 SER B 72 6.799 -2.430 13.231 1.00 0.65 H new ATOM 0 HB3 SER B 72 7.448 -1.088 12.310 1.00 0.65 H new ATOM 0 HG SER B 72 9.124 -2.622 12.926 1.00 1.33 H new TER 2358 SER B 72 CONECT 95 546 CONECT 122 792 CONECT 546 95 CONECT 792 122 CONECT 1274 1725 CONECT 1301 1971 CONECT 1725 1274 CONECT 1971 1301 END