USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 809 hydrogens (0 hets) HEADER ELECTRON TRANSPORT 17-DEC-90 3TRX TITLE HIGH-RESOLUTION THREE-DIMENSIONAL STRUCTURE OF REDUCED TITLE 2 RECOMBINANT HUMAN THIOREDOXIN IN SOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: THIOREDOXIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS ELECTRON TRANSPORT EXPDTA SOLUTION NMR AUTHOR J.D.FORMAN-KAY,G.M.CLORE,A.M.GRONENBORN REVDAT 3 24-FEB-09 3TRX 1 VERSN REVDAT 2 15-JAN-93 3TRX 1 HEADER COMPND REVDAT 1 15-JAN-92 3TRX 0 JRNL AUTH J.D.FORMAN-KAY,G.M.CLORE,P.T.WINGFIELD, JRNL AUTH 2 A.M.GRONENBORN JRNL TITL HIGH-RESOLUTION THREE-DIMENSIONAL STRUCTURE OF JRNL TITL 2 REDUCED RECOMBINANT HUMAN THIOREDOXIN IN SOLUTION. JRNL REF BIOCHEMISTRY V. 30 2685 1991 JRNL REFN ISSN 0006-2960 JRNL PMID 2001356 JRNL DOI 10.1021/BI00224A017 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.D.FORMAN-KAY,A.M.GRONENBORN,L.E.KAY, REMARK 1 AUTH 2 P.T.WINGFIELD,G.M.CLORE REMARK 1 TITL STUDIES ON THE SOLUTION CONFORMATION OF HUMAN REMARK 1 TITL 2 THIOREDOXIN USING HETERONUCLEAR 15N-1H NUCLEAR REMARK 1 TITL 3 MAGNETIC RESONANCE SPECTROSCOPY REMARK 1 REF BIOCHEMISTRY V. 29 1566 1990 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH J.D.FORMAN-KAY,G.M.CLORE,P.C.DRISCOLL,P.WINGFIELD, REMARK 1 AUTH 2 F.M.RICHARDS,A.M.GRONENBORN REMARK 1 TITL A PROTON NUCLEAR MAGNETIC RESONANCE ASSIGNMENT AND REMARK 1 TITL 2 SECONDARY STRUCTURE DETERMINATION OF RECOMBINANT REMARK 1 TITL 3 HUMAN THIOREDOXIN REMARK 1 REF BIOCHEMISTRY V. 28 7088 1989 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 STRUCTURES DETERMINED BY THE HYBRID METRIC REMARK 3 MATRIX DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING REMARK 3 METHOD OF M. NILGES, G. M. CLORE, AND A. M. GRONENBORN REMARK 3 (FEBS LETT. 229, 317 (1988)). THE STRUCTURES ARE BASED REMARK 3 ON 1983 INTERPROTON DISTANCE RESTRAINTS DERIVED FROM NOE REMARK 3 MEASUREMENTS; 52 HYDROGEN-BONDING DISTANCE RESTRAINTS FOR REMARK 3 26 HYDROGEN-BONDS IDENTIFIED ON THE BASIS OF THE NOE AND REMARK 3 AMIDE PROTON EXCHANGE DATA, AS WELL AS THE INITIAL REMARK 3 STRUCTURE CALCULATIONS; AND 98 PHI AND 71 PSI BACKBONE REMARK 3 TORSION ANGLE RESTRAINTS AND 72 CHI1 SIDE-CHAIN TORSION REMARK 3 ANGLE RESTRAINTS DERIVED FROM COUPLING CONSTANTS AND NOE REMARK 3 DATA. REMARK 3 REMARK 3 A TOTAL OF 33 STRUCTURES WERE CALCULATED. THIS STRUCTURE REMARK 3 REPRESENTS THE MINIMIZED AVERAGE STRUCTURE. THIS IS REMARK 3 OBTAINED BY AVERAGING THE COORDINATES OF THE INDIVIDUAL REMARK 3 STRUCTURES AND SUBJECTING THE RESULTING COORDINATES TO REMARK 3 RESTRAINED MINIMIZATION. THE ENTIRE SET OF 33 STRUCTURES REMARK 3 CAN BE FOUND IN PDB ENTRY 4TRX. REMARK 3 REMARK 3 THE LAST COLUMN IN THIS COORDINATE FILE REPRESENTS THE REMARK 3 ATOMIC RMS DEVIATION OF THE INDIVIDUAL STRUCTURES ABOUT REMARK 3 THE MEAN COORDINATE POSITIONS. REMARK 4 REMARK 4 3TRX 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 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 TRP A 31 CG TRP A 31 CD2 -0.106 REMARK 500 HIS A 43 CG HIS A 43 ND1 -0.115 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 31 CG - CD1 - NE1 ANGL. DEV. = -6.3 DEGREES REMARK 500 TRP A 31 CD1 - NE1 - CE2 ANGL. DEV. = 5.5 DEGREES REMARK 500 TRP A 31 NE1 - CE2 - CZ2 ANGL. DEV. = 8.6 DEGREES REMARK 500 TRP A 31 NE1 - CE2 - CD2 ANGL. DEV. = -6.7 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 GLU A 6 -19.36 -143.93 REMARK 500 LYS A 21 160.40 -45.37 REMARK 500 PRO A 40 0.91 -62.13 REMARK 500 LYS A 48 -71.28 -59.08 REMARK 500 VAL A 59 17.60 -68.77 REMARK 500 LYS A 72 22.71 -145.56 REMARK 500 CYS A 73 126.42 -176.26 REMARK 500 LYS A 82 11.14 57.37 REMARK 500 GLU A 95 -18.39 -46.46 REMARK 500 GLU A 98 -72.77 -50.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4TRX RELATED DB: PDB DBREF 3TRX A 2 105 UNP P10599 THIO_HUMAN 1 104 SEQADV 3TRX THR A 74 UNP P10599 MET 73 CONFLICT SEQRES 1 A 105 MET VAL LYS GLN ILE GLU SER LYS THR ALA PHE GLN GLU SEQRES 2 A 105 ALA LEU ASP ALA ALA GLY ASP LYS LEU VAL VAL VAL ASP SEQRES 3 A 105 PHE SER ALA THR TRP CYS GLY PRO CYS LYS MET ILE LYS SEQRES 4 A 105 PRO PHE PHE HIS SER LEU SER GLU LYS TYR SER ASN VAL SEQRES 5 A 105 ILE PHE LEU GLU VAL ASP VAL ASP ASP CYS GLN ASP VAL SEQRES 6 A 105 ALA SER GLU CYS GLU VAL LYS CYS THR PRO THR PHE GLN SEQRES 7 A 105 PHE PHE LYS LYS GLY GLN LYS VAL GLY GLU PHE SER GLY SEQRES 8 A 105 ALA ASN LYS GLU LYS LEU GLU ALA THR ILE ASN GLU LEU SEQRES 9 A 105 VAL HELIX 1 1 SER A 7 ALA A 18 1 12 HELIX 2 2 CYS A 35 MET A 37 5 3 HELIX 3 3 ILE A 38 HIS A 43 1 6 HELIX 4 4 SER A 44 TYR A 49 1 6 HELIX 5 5 CYS A 62 SER A 67 1 6 HELIX 6 6 LYS A 94 VAL A 105 1 12 SHEET 1 A 5 LYS A 3 GLN A 4 0 SHEET 2 A 5 ILE A 53 ASP A 58 1 O PHE A 54 N LYS A 3 SHEET 3 A 5 VAL A 23 SER A 28 1 O VAL A 24 N LEU A 55 SHEET 4 A 5 THR A 76 LYS A 81 -1 O THR A 76 N PHE A 27 SHEET 5 A 5 GLN A 84 SER A 90 -1 O GLN A 84 N LYS A 81 CISPEP 1 THR A 74 PRO A 75 0 -0.90 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 Set 1.1: A 73 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 69 CYS SG : rot -130:sc= 0.645 USER MOD Set 2.2: A 78 GLN : amide:sc= -1.39! C(o=-0.74!,f=-0.47!) USER MOD Set 3.1: A 32 CYS SG : rot -133:sc= -0.59 USER MOD Set 3.2: A 35 CYS SG : rot 112:sc= 1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0117 (180deg=-0.158) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.017) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.301 X(o=-0.3,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.235 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.286 K(o=0.29,f=-5.3!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.5 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00576 USER MOD Single : A 51 ASN : amide:sc= -1.03 K(o=-1,f=-3.6!) USER MOD Single : A 62 CYS SG : rot -140:sc= -0.16 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 67 SER OG : rot -35:sc= 0.0237 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 76 THR OG1 : rot 87:sc= 0.554 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc=-0.00745 X(o=-0.0074,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= 0.155 (180deg=0.124) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.215 F(o=-5.9!,f=-0.21) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 77:sc= 0.0227 USER MOD Single : A 102 ASN : amide:sc= -0.0554 K(o=-0.055,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.439 -1.676 8.575 1.00 1.60 N ATOM 2 CA MET A 1 -6.339 -1.410 9.546 1.00 0.89 C ATOM 3 C MET A 1 -4.996 -1.438 8.815 1.00 0.66 C ATOM 4 O MET A 1 -4.579 -2.464 8.316 1.00 0.78 O ATOM 5 CB MET A 1 -6.329 -2.464 10.652 1.00 1.35 C ATOM 6 CG MET A 1 -7.428 -2.140 11.664 1.00 1.76 C ATOM 7 SD MET A 1 -7.968 -3.475 12.760 1.00 2.57 S ATOM 8 CE MET A 1 -7.291 -2.796 14.295 1.00 3.30 C ATOM 0 H1 MET A 1 -8.348 -1.395 8.995 1.00 1.60 H new ATOM 0 H2 MET A 1 -7.275 -1.128 7.706 1.00 1.60 H new ATOM 0 H3 MET A 1 -7.462 -2.690 8.346 1.00 1.60 H new ATOM 0 HA MET A 1 -6.502 -0.430 9.994 1.00 0.89 H new ATOM 0 HB2 MET A 1 -6.489 -3.455 10.228 1.00 1.35 H new ATOM 0 HB3 MET A 1 -5.357 -2.482 11.145 1.00 1.35 H new ATOM 0 HG2 MET A 1 -7.082 -1.313 12.285 1.00 1.76 H new ATOM 0 HG3 MET A 1 -8.298 -1.783 11.114 1.00 1.76 H new ATOM 0 HE1 MET A 1 -7.512 -3.472 15.121 1.00 3.30 H new ATOM 0 HE2 MET A 1 -6.211 -2.683 14.198 1.00 3.30 H new ATOM 0 HE3 MET A 1 -7.741 -1.823 14.492 1.00 3.30 H new ATOM 20 N VAL A 2 -4.345 -0.309 8.766 1.00 0.44 N ATOM 21 CA VAL A 2 -3.025 -0.259 8.074 1.00 0.29 C ATOM 22 C VAL A 2 -2.071 -1.265 8.724 1.00 0.37 C ATOM 23 O VAL A 2 -2.124 -1.484 9.918 1.00 0.54 O ATOM 24 CB VAL A 2 -2.440 1.150 8.186 1.00 0.44 C ATOM 25 CG1 VAL A 2 -1.144 1.213 7.377 1.00 0.51 C ATOM 26 CG2 VAL A 2 -3.430 2.169 7.614 1.00 0.45 C ATOM 0 H VAL A 2 -4.664 0.572 9.170 1.00 0.44 H new ATOM 0 HA VAL A 2 -3.157 -0.511 7.022 1.00 0.29 H new ATOM 0 HB VAL A 2 -2.245 1.380 9.233 1.00 0.44 H new ATOM 0 HG11 VAL A 2 -0.718 2.214 7.450 1.00 0.51 H new ATOM 0 HG12 VAL A 2 -0.433 0.487 7.771 1.00 0.51 H new ATOM 0 HG13 VAL A 2 -1.356 0.984 6.333 1.00 0.51 H new ATOM 0 HG21 VAL A 2 -3.009 3.171 7.696 1.00 0.45 H new ATOM 0 HG22 VAL A 2 -3.622 1.941 6.566 1.00 0.45 H new ATOM 0 HG23 VAL A 2 -4.365 2.121 8.173 1.00 0.45 H new ATOM 36 N LYS A 3 -1.220 -1.854 7.926 1.00 0.34 N ATOM 37 CA LYS A 3 -0.260 -2.857 8.483 1.00 0.44 C ATOM 38 C LYS A 3 1.138 -2.636 7.896 1.00 0.35 C ATOM 39 O LYS A 3 1.285 -2.358 6.722 1.00 0.41 O ATOM 40 CB LYS A 3 -0.755 -4.263 8.126 1.00 0.54 C ATOM 41 CG LYS A 3 0.028 -5.311 8.927 1.00 0.76 C ATOM 42 CD LYS A 3 -0.710 -6.648 8.847 1.00 1.05 C ATOM 43 CE LYS A 3 0.095 -7.715 9.588 1.00 1.44 C ATOM 44 NZ LYS A 3 -0.814 -8.727 10.196 1.00 1.97 N ATOM 0 H LYS A 3 -1.146 -1.688 6.922 1.00 0.34 H new ATOM 0 HA LYS A 3 -0.203 -2.745 9.566 1.00 0.44 H new ATOM 0 HB2 LYS A 3 -1.820 -4.349 8.342 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -0.631 -4.441 7.058 1.00 0.54 H new ATOM 0 HG2 LYS A 3 1.037 -5.413 8.529 1.00 0.76 H new ATOM 0 HG3 LYS A 3 0.126 -4.996 9.966 1.00 0.76 H new ATOM 0 HD2 LYS A 3 -1.703 -6.555 9.286 1.00 1.05 H new ATOM 0 HD3 LYS A 3 -0.848 -6.938 7.806 1.00 1.05 H new ATOM 0 HE2 LYS A 3 0.783 -8.204 8.898 1.00 1.44 H new ATOM 0 HE3 LYS A 3 0.700 -7.248 10.365 1.00 1.44 H new ATOM 0 HZ1 LYS A 3 -0.250 -9.444 10.695 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.454 -8.259 10.869 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.373 -9.185 9.448 1.00 1.97 H new ATOM 58 N GLN A 4 2.134 -2.767 8.729 1.00 0.37 N ATOM 59 CA GLN A 4 3.531 -2.564 8.244 1.00 0.33 C ATOM 60 C GLN A 4 4.187 -3.911 7.931 1.00 0.30 C ATOM 61 O GLN A 4 4.086 -4.846 8.700 1.00 0.37 O ATOM 62 CB GLN A 4 4.337 -1.850 9.330 1.00 0.46 C ATOM 63 CG GLN A 4 5.806 -1.777 8.902 1.00 0.47 C ATOM 64 CD GLN A 4 6.548 -0.790 9.805 1.00 0.78 C ATOM 65 OE1 GLN A 4 7.557 -1.113 10.397 1.00 1.44 O ATOM 66 NE2 GLN A 4 6.081 0.421 9.938 1.00 1.33 N ATOM 0 H GLN A 4 2.044 -3.004 9.717 1.00 0.37 H new ATOM 0 HA GLN A 4 3.509 -1.963 7.335 1.00 0.33 H new ATOM 0 HB2 GLN A 4 3.943 -0.847 9.492 1.00 0.46 H new ATOM 0 HB3 GLN A 4 4.248 -2.384 10.276 1.00 0.46 H new ATOM 0 HG2 GLN A 4 6.265 -2.763 8.968 1.00 0.47 H new ATOM 0 HG3 GLN A 4 5.878 -1.460 7.861 1.00 0.47 H new ATOM 0 HE21 GLN A 4 5.233 0.698 9.443 1.00 1.33 H new ATOM 0 HE22 GLN A 4 6.564 1.091 10.537 1.00 1.33 H new ATOM 75 N ILE A 5 4.846 -3.977 6.806 1.00 0.26 N ATOM 76 CA ILE A 5 5.527 -5.251 6.427 1.00 0.27 C ATOM 77 C ILE A 5 7.004 -5.163 6.823 1.00 0.36 C ATOM 78 O ILE A 5 7.487 -4.104 7.174 1.00 0.44 O ATOM 79 CB ILE A 5 5.416 -5.464 4.896 1.00 0.23 C ATOM 80 CG1 ILE A 5 3.969 -5.188 4.409 1.00 0.24 C ATOM 81 CG2 ILE A 5 5.823 -6.903 4.519 1.00 0.28 C ATOM 82 CD1 ILE A 5 3.011 -6.311 4.855 1.00 0.35 C ATOM 0 H ILE A 5 4.943 -3.213 6.138 1.00 0.26 H new ATOM 0 HA ILE A 5 5.054 -6.088 6.942 1.00 0.27 H new ATOM 0 HB ILE A 5 6.094 -4.763 4.409 1.00 0.23 H new ATOM 0 HG12 ILE A 5 3.624 -4.233 4.805 1.00 0.24 H new ATOM 0 HG13 ILE A 5 3.957 -5.105 3.322 1.00 0.24 H new ATOM 0 HG21 ILE A 5 5.739 -7.034 3.440 1.00 0.28 H new ATOM 0 HG22 ILE A 5 6.853 -7.082 4.827 1.00 0.28 H new ATOM 0 HG23 ILE A 5 5.165 -7.611 5.023 1.00 0.28 H new ATOM 0 HD11 ILE A 5 2.004 -6.092 4.500 1.00 0.35 H new ATOM 0 HD12 ILE A 5 3.344 -7.261 4.437 1.00 0.35 H new ATOM 0 HD13 ILE A 5 3.007 -6.375 5.943 1.00 0.35 H new ATOM 94 N GLU A 6 7.690 -6.273 6.762 1.00 0.39 N ATOM 95 CA GLU A 6 9.138 -6.257 7.141 1.00 0.49 C ATOM 96 C GLU A 6 9.952 -7.213 6.256 1.00 0.44 C ATOM 97 O GLU A 6 11.157 -7.092 6.164 1.00 0.62 O ATOM 98 CB GLU A 6 9.277 -6.675 8.604 1.00 0.66 C ATOM 99 CG GLU A 6 8.820 -8.125 8.761 1.00 1.35 C ATOM 100 CD GLU A 6 8.689 -8.456 10.249 1.00 1.71 C ATOM 101 OE1 GLU A 6 7.993 -7.704 10.912 1.00 2.17 O ATOM 102 OE2 GLU A 6 9.292 -9.441 10.639 1.00 2.13 O ATOM 0 H GLU A 6 7.320 -7.178 6.471 1.00 0.39 H new ATOM 0 HA GLU A 6 9.524 -5.248 6.998 1.00 0.49 H new ATOM 0 HB2 GLU A 6 10.313 -6.571 8.927 1.00 0.66 H new ATOM 0 HB3 GLU A 6 8.678 -6.022 9.239 1.00 0.66 H new ATOM 0 HG2 GLU A 6 7.864 -8.274 8.258 1.00 1.35 H new ATOM 0 HG3 GLU A 6 9.536 -8.797 8.289 1.00 1.35 H new ATOM 109 N SER A 7 9.285 -8.142 5.626 1.00 0.41 N ATOM 110 CA SER A 7 10.025 -9.100 4.754 1.00 0.40 C ATOM 111 C SER A 7 9.113 -9.634 3.645 1.00 0.35 C ATOM 112 O SER A 7 7.942 -9.316 3.591 1.00 0.33 O ATOM 113 CB SER A 7 10.525 -10.265 5.606 1.00 0.52 C ATOM 114 OG SER A 7 9.338 -10.891 6.068 1.00 0.66 O ATOM 0 H SER A 7 8.275 -8.279 5.675 1.00 0.41 H new ATOM 0 HA SER A 7 10.867 -8.583 4.293 1.00 0.40 H new ATOM 0 HB2 SER A 7 11.137 -10.952 5.022 1.00 0.52 H new ATOM 0 HB3 SER A 7 11.141 -9.917 6.435 1.00 0.52 H new ATOM 0 HG SER A 7 9.571 -11.660 6.629 1.00 0.66 H new ATOM 120 N LYS A 8 9.677 -10.436 2.783 1.00 0.38 N ATOM 121 CA LYS A 8 8.869 -11.008 1.667 1.00 0.39 C ATOM 122 C LYS A 8 7.940 -12.098 2.198 1.00 0.39 C ATOM 123 O LYS A 8 6.753 -12.093 1.937 1.00 0.36 O ATOM 124 CB LYS A 8 9.820 -11.600 0.625 1.00 0.49 C ATOM 125 CG LYS A 8 9.013 -12.245 -0.506 1.00 0.56 C ATOM 126 CD LYS A 8 9.981 -12.676 -1.617 1.00 0.87 C ATOM 127 CE LYS A 8 9.242 -13.527 -2.659 1.00 1.16 C ATOM 128 NZ LYS A 8 9.960 -14.815 -2.878 1.00 1.85 N ATOM 0 H LYS A 8 10.657 -10.719 2.802 1.00 0.38 H new ATOM 0 HA LYS A 8 8.262 -10.224 1.214 1.00 0.39 H new ATOM 0 HB2 LYS A 8 10.466 -10.819 0.224 1.00 0.49 H new ATOM 0 HB3 LYS A 8 10.468 -12.342 1.091 1.00 0.49 H new ATOM 0 HG2 LYS A 8 8.460 -13.106 -0.132 1.00 0.56 H new ATOM 0 HG3 LYS A 8 8.279 -11.540 -0.897 1.00 0.56 H new ATOM 0 HD2 LYS A 8 10.414 -11.797 -2.095 1.00 0.87 H new ATOM 0 HD3 LYS A 8 10.807 -13.245 -1.190 1.00 0.87 H new ATOM 0 HE2 LYS A 8 8.224 -13.723 -2.323 1.00 1.16 H new ATOM 0 HE3 LYS A 8 9.168 -12.980 -3.599 1.00 1.16 H new ATOM 0 HZ1 LYS A 8 9.449 -15.381 -3.585 1.00 1.85 H new ATOM 0 HZ2 LYS A 8 10.923 -14.622 -3.219 1.00 1.85 H new ATOM 0 HZ3 LYS A 8 10.009 -15.342 -1.983 1.00 1.85 H new ATOM 142 N THR A 9 8.502 -13.004 2.931 1.00 0.49 N ATOM 143 CA THR A 9 7.678 -14.108 3.494 1.00 0.57 C ATOM 144 C THR A 9 6.414 -13.532 4.119 1.00 0.51 C ATOM 145 O THR A 9 5.359 -14.132 4.075 1.00 0.55 O ATOM 146 CB THR A 9 8.490 -14.849 4.560 1.00 0.69 C ATOM 147 OG1 THR A 9 9.650 -15.312 3.875 1.00 0.78 O ATOM 148 CG2 THR A 9 7.776 -16.112 5.039 1.00 0.82 C ATOM 0 H THR A 9 9.494 -13.033 3.168 1.00 0.49 H new ATOM 0 HA THR A 9 7.401 -14.802 2.700 1.00 0.57 H new ATOM 0 HB THR A 9 8.670 -14.191 5.410 1.00 0.69 H new ATOM 0 HG1 THR A 9 10.226 -15.800 4.500 1.00 0.78 H new ATOM 0 HG21 THR A 9 8.384 -16.609 5.795 1.00 0.82 H new ATOM 0 HG22 THR A 9 6.811 -15.844 5.469 1.00 0.82 H new ATOM 0 HG23 THR A 9 7.623 -16.785 4.196 1.00 0.82 H new ATOM 156 N ALA A 10 6.555 -12.378 4.687 1.00 0.45 N ATOM 157 CA ALA A 10 5.387 -11.721 5.322 1.00 0.44 C ATOM 158 C ALA A 10 4.455 -11.157 4.248 1.00 0.36 C ATOM 159 O ALA A 10 3.273 -11.437 4.238 1.00 0.35 O ATOM 160 CB ALA A 10 5.876 -10.588 6.218 1.00 0.48 C ATOM 0 H ALA A 10 7.430 -11.857 4.741 1.00 0.45 H new ATOM 0 HA ALA A 10 4.840 -12.453 5.916 1.00 0.44 H new ATOM 0 HB1 ALA A 10 5.021 -10.101 6.688 1.00 0.48 H new ATOM 0 HB2 ALA A 10 6.533 -10.991 6.989 1.00 0.48 H new ATOM 0 HB3 ALA A 10 6.424 -9.861 5.619 1.00 0.48 H new ATOM 166 N PHE A 11 5.013 -10.369 3.367 1.00 0.31 N ATOM 167 CA PHE A 11 4.181 -9.778 2.279 1.00 0.24 C ATOM 168 C PHE A 11 3.261 -10.849 1.689 1.00 0.24 C ATOM 169 O PHE A 11 2.214 -10.548 1.161 1.00 0.22 O ATOM 170 CB PHE A 11 5.108 -9.240 1.187 1.00 0.23 C ATOM 171 CG PHE A 11 4.279 -8.558 0.092 1.00 0.22 C ATOM 172 CD1 PHE A 11 3.567 -7.403 0.365 1.00 0.25 C ATOM 173 CD2 PHE A 11 4.233 -9.089 -1.187 1.00 0.24 C ATOM 174 CE1 PHE A 11 2.823 -6.790 -0.625 1.00 0.28 C ATOM 175 CE2 PHE A 11 3.489 -8.474 -2.173 1.00 0.27 C ATOM 176 CZ PHE A 11 2.785 -7.325 -1.893 1.00 0.28 C ATOM 0 H PHE A 11 6.000 -10.111 3.353 1.00 0.31 H new ATOM 0 HA PHE A 11 3.570 -8.969 2.681 1.00 0.24 H new ATOM 0 HB2 PHE A 11 5.816 -8.530 1.615 1.00 0.23 H new ATOM 0 HB3 PHE A 11 5.692 -10.055 0.759 1.00 0.23 H new ATOM 0 HD1 PHE A 11 3.593 -6.978 1.358 1.00 0.25 H new ATOM 0 HD2 PHE A 11 4.783 -9.990 -1.414 1.00 0.24 H new ATOM 0 HE1 PHE A 11 2.270 -5.889 -0.404 1.00 0.28 H new ATOM 0 HE2 PHE A 11 3.459 -8.895 -3.167 1.00 0.27 H new ATOM 0 HZ PHE A 11 2.204 -6.844 -2.666 1.00 0.28 H new ATOM 186 N GLN A 12 3.677 -12.080 1.795 1.00 0.30 N ATOM 187 CA GLN A 12 2.839 -13.190 1.248 1.00 0.35 C ATOM 188 C GLN A 12 1.657 -13.475 2.173 1.00 0.36 C ATOM 189 O GLN A 12 0.515 -13.464 1.757 1.00 0.41 O ATOM 190 CB GLN A 12 3.698 -14.446 1.114 1.00 0.45 C ATOM 191 CG GLN A 12 4.569 -14.328 -0.137 1.00 0.87 C ATOM 192 CD GLN A 12 3.905 -15.084 -1.290 1.00 1.27 C ATOM 193 OE1 GLN A 12 4.343 -16.148 -1.683 1.00 2.07 O ATOM 194 NE2 GLN A 12 2.849 -14.573 -1.858 1.00 1.74 N ATOM 0 H GLN A 12 4.553 -12.367 2.232 1.00 0.30 H new ATOM 0 HA GLN A 12 2.453 -12.896 0.272 1.00 0.35 H new ATOM 0 HB2 GLN A 12 4.324 -14.569 1.998 1.00 0.45 H new ATOM 0 HB3 GLN A 12 3.063 -15.330 1.048 1.00 0.45 H new ATOM 0 HG2 GLN A 12 4.702 -13.280 -0.404 1.00 0.87 H new ATOM 0 HG3 GLN A 12 5.561 -14.736 0.057 1.00 0.87 H new ATOM 0 HE21 GLN A 12 2.477 -13.681 -1.533 1.00 1.74 H new ATOM 0 HE22 GLN A 12 2.395 -15.065 -2.627 1.00 1.74 H new ATOM 203 N GLU A 13 1.962 -13.724 3.408 1.00 0.44 N ATOM 204 CA GLU A 13 0.881 -14.028 4.392 1.00 0.48 C ATOM 205 C GLU A 13 -0.142 -12.886 4.442 1.00 0.42 C ATOM 206 O GLU A 13 -1.332 -13.121 4.499 1.00 0.47 O ATOM 207 CB GLU A 13 1.502 -14.214 5.775 1.00 0.61 C ATOM 208 CG GLU A 13 2.631 -15.243 5.684 1.00 0.85 C ATOM 209 CD GLU A 13 2.744 -15.993 7.014 1.00 1.50 C ATOM 210 OE1 GLU A 13 2.320 -15.414 8.001 1.00 2.18 O ATOM 211 OE2 GLU A 13 3.248 -17.102 6.968 1.00 1.88 O ATOM 0 H GLU A 13 2.910 -13.732 3.785 1.00 0.44 H new ATOM 0 HA GLU A 13 0.369 -14.940 4.084 1.00 0.48 H new ATOM 0 HB2 GLU A 13 1.888 -13.264 6.144 1.00 0.61 H new ATOM 0 HB3 GLU A 13 0.745 -14.548 6.485 1.00 0.61 H new ATOM 0 HG2 GLU A 13 2.434 -15.945 4.874 1.00 0.85 H new ATOM 0 HG3 GLU A 13 3.573 -14.746 5.453 1.00 0.85 H new ATOM 218 N ALA A 14 0.341 -11.675 4.422 1.00 0.41 N ATOM 219 CA ALA A 14 -0.597 -10.516 4.473 1.00 0.40 C ATOM 220 C ALA A 14 -1.642 -10.637 3.363 1.00 0.36 C ATOM 221 O ALA A 14 -2.812 -10.392 3.580 1.00 0.43 O ATOM 222 CB ALA A 14 0.195 -9.221 4.295 1.00 0.44 C ATOM 0 H ALA A 14 1.332 -11.438 4.373 1.00 0.41 H new ATOM 0 HA ALA A 14 -1.107 -10.506 5.436 1.00 0.40 H new ATOM 0 HB1 ALA A 14 -0.486 -8.370 4.331 1.00 0.44 H new ATOM 0 HB2 ALA A 14 0.931 -9.132 5.094 1.00 0.44 H new ATOM 0 HB3 ALA A 14 0.706 -9.236 3.332 1.00 0.44 H new ATOM 228 N LEU A 15 -1.197 -11.011 2.197 1.00 0.29 N ATOM 229 CA LEU A 15 -2.154 -11.159 1.064 1.00 0.30 C ATOM 230 C LEU A 15 -2.976 -12.436 1.241 1.00 0.34 C ATOM 231 O LEU A 15 -3.975 -12.635 0.579 1.00 0.40 O ATOM 232 CB LEU A 15 -1.370 -11.230 -0.246 1.00 0.29 C ATOM 233 CG LEU A 15 -0.516 -9.963 -0.394 1.00 0.26 C ATOM 234 CD1 LEU A 15 0.368 -10.095 -1.636 1.00 0.29 C ATOM 235 CD2 LEU A 15 -1.420 -8.735 -0.545 1.00 0.29 C ATOM 0 H LEU A 15 -0.222 -11.219 1.979 1.00 0.29 H new ATOM 0 HA LEU A 15 -2.829 -10.304 1.043 1.00 0.30 H new ATOM 0 HB2 LEU A 15 -0.734 -12.115 -0.255 1.00 0.29 H new ATOM 0 HB3 LEU A 15 -2.055 -11.322 -1.089 1.00 0.29 H new ATOM 0 HG LEU A 15 0.104 -9.843 0.494 1.00 0.26 H new ATOM 0 HD11 LEU A 15 0.977 -9.198 -1.746 1.00 0.29 H new ATOM 0 HD12 LEU A 15 1.018 -10.964 -1.529 1.00 0.29 H new ATOM 0 HD13 LEU A 15 -0.260 -10.218 -2.518 1.00 0.29 H new ATOM 0 HD21 LEU A 15 -0.805 -7.841 -0.649 1.00 0.29 H new ATOM 0 HD22 LEU A 15 -2.046 -8.850 -1.430 1.00 0.29 H new ATOM 0 HD23 LEU A 15 -2.053 -8.639 0.337 1.00 0.29 H new ATOM 247 N ASP A 16 -2.533 -13.275 2.135 1.00 0.36 N ATOM 248 CA ASP A 16 -3.273 -14.547 2.379 1.00 0.44 C ATOM 249 C ASP A 16 -4.233 -14.377 3.556 1.00 0.45 C ATOM 250 O ASP A 16 -5.212 -15.088 3.671 1.00 0.51 O ATOM 251 CB ASP A 16 -2.273 -15.659 2.689 1.00 0.51 C ATOM 252 CG ASP A 16 -2.942 -17.017 2.464 1.00 0.73 C ATOM 253 OD1 ASP A 16 -3.020 -17.397 1.308 1.00 1.29 O ATOM 254 OD2 ASP A 16 -3.337 -17.598 3.462 1.00 1.25 O ATOM 0 H ASP A 16 -1.697 -13.138 2.704 1.00 0.36 H new ATOM 0 HA ASP A 16 -3.847 -14.806 1.490 1.00 0.44 H new ATOM 0 HB2 ASP A 16 -1.395 -15.563 2.050 1.00 0.51 H new ATOM 0 HB3 ASP A 16 -1.928 -15.577 3.720 1.00 0.51 H new ATOM 259 N ALA A 17 -3.929 -13.436 4.402 1.00 0.45 N ATOM 260 CA ALA A 17 -4.810 -13.191 5.582 1.00 0.49 C ATOM 261 C ALA A 17 -5.737 -12.007 5.299 1.00 0.47 C ATOM 262 O ALA A 17 -6.559 -11.646 6.118 1.00 0.52 O ATOM 263 CB ALA A 17 -3.941 -12.880 6.800 1.00 0.59 C ATOM 0 H ALA A 17 -3.114 -12.827 4.331 1.00 0.45 H new ATOM 0 HA ALA A 17 -5.413 -14.078 5.777 1.00 0.49 H new ATOM 0 HB1 ALA A 17 -4.579 -12.700 7.665 1.00 0.59 H new ATOM 0 HB2 ALA A 17 -3.283 -13.725 7.003 1.00 0.59 H new ATOM 0 HB3 ALA A 17 -3.340 -11.993 6.601 1.00 0.59 H new ATOM 269 N ALA A 18 -5.581 -11.430 4.140 1.00 0.45 N ATOM 270 CA ALA A 18 -6.439 -10.267 3.775 1.00 0.45 C ATOM 271 C ALA A 18 -7.708 -10.750 3.065 1.00 0.44 C ATOM 272 O ALA A 18 -8.503 -9.958 2.602 1.00 0.55 O ATOM 273 CB ALA A 18 -5.653 -9.345 2.844 1.00 0.45 C ATOM 0 H ALA A 18 -4.901 -11.711 3.433 1.00 0.45 H new ATOM 0 HA ALA A 18 -6.725 -9.730 4.679 1.00 0.45 H new ATOM 0 HB1 ALA A 18 -6.272 -8.490 2.571 1.00 0.45 H new ATOM 0 HB2 ALA A 18 -4.755 -8.995 3.352 1.00 0.45 H new ATOM 0 HB3 ALA A 18 -5.371 -9.891 1.944 1.00 0.45 H new ATOM 279 N GLY A 19 -7.869 -12.044 2.997 1.00 0.49 N ATOM 280 CA GLY A 19 -9.076 -12.595 2.321 1.00 0.54 C ATOM 281 C GLY A 19 -9.033 -12.282 0.825 1.00 0.52 C ATOM 282 O GLY A 19 -8.131 -12.703 0.127 1.00 0.65 O ATOM 0 H GLY A 19 -7.223 -12.737 3.376 1.00 0.49 H new ATOM 0 HA2 GLY A 19 -9.126 -13.673 2.473 1.00 0.54 H new ATOM 0 HA3 GLY A 19 -9.976 -12.168 2.763 1.00 0.54 H new ATOM 286 N ASP A 20 -10.016 -11.548 0.366 1.00 0.46 N ATOM 287 CA ASP A 20 -10.057 -11.187 -1.086 1.00 0.46 C ATOM 288 C ASP A 20 -10.355 -9.693 -1.257 1.00 0.40 C ATOM 289 O ASP A 20 -10.075 -9.119 -2.290 1.00 0.48 O ATOM 290 CB ASP A 20 -11.151 -12.004 -1.773 1.00 0.59 C ATOM 291 CG ASP A 20 -11.708 -13.033 -0.789 1.00 1.38 C ATOM 292 OD1 ASP A 20 -10.896 -13.777 -0.265 1.00 2.09 O ATOM 293 OD2 ASP A 20 -12.916 -13.018 -0.617 1.00 2.19 O ATOM 0 H ASP A 20 -10.786 -11.185 0.928 1.00 0.46 H new ATOM 0 HA ASP A 20 -9.088 -11.405 -1.535 1.00 0.46 H new ATOM 0 HB2 ASP A 20 -11.948 -11.346 -2.119 1.00 0.59 H new ATOM 0 HB3 ASP A 20 -10.748 -12.506 -2.652 1.00 0.59 H new ATOM 298 N LYS A 21 -10.918 -9.095 -0.241 1.00 0.37 N ATOM 299 CA LYS A 21 -11.233 -7.640 -0.335 1.00 0.37 C ATOM 300 C LYS A 21 -10.040 -6.888 -0.924 1.00 0.33 C ATOM 301 O LYS A 21 -8.930 -7.380 -0.915 1.00 0.39 O ATOM 302 CB LYS A 21 -11.537 -7.101 1.060 1.00 0.43 C ATOM 303 CG LYS A 21 -12.771 -7.819 1.614 1.00 0.51 C ATOM 304 CD LYS A 21 -12.497 -8.262 3.054 1.00 0.55 C ATOM 305 CE LYS A 21 -13.719 -9.013 3.586 1.00 0.91 C ATOM 306 NZ LYS A 21 -13.805 -8.887 5.067 1.00 1.56 N ATOM 0 H LYS A 21 -11.171 -9.544 0.639 1.00 0.37 H new ATOM 0 HA LYS A 21 -12.099 -7.498 -0.982 1.00 0.37 H new ATOM 0 HB2 LYS A 21 -10.683 -7.258 1.719 1.00 0.43 H new ATOM 0 HB3 LYS A 21 -11.714 -6.026 1.018 1.00 0.43 H new ATOM 0 HG2 LYS A 21 -13.635 -7.156 1.584 1.00 0.51 H new ATOM 0 HG3 LYS A 21 -13.011 -8.684 0.995 1.00 0.51 H new ATOM 0 HD2 LYS A 21 -11.616 -8.903 3.089 1.00 0.55 H new ATOM 0 HD3 LYS A 21 -12.286 -7.395 3.681 1.00 0.55 H new ATOM 0 HE2 LYS A 21 -14.625 -8.616 3.128 1.00 0.91 H new ATOM 0 HE3 LYS A 21 -13.656 -10.065 3.308 1.00 0.91 H new ATOM 0 HZ1 LYS A 21 -14.640 -9.403 5.411 1.00 1.56 H new ATOM 0 HZ2 LYS A 21 -12.948 -9.287 5.500 1.00 1.56 H new ATOM 0 HZ3 LYS A 21 -13.887 -7.883 5.326 1.00 1.56 H new ATOM 320 N LEU A 22 -10.290 -5.714 -1.427 1.00 0.27 N ATOM 321 CA LEU A 22 -9.178 -4.928 -2.022 1.00 0.27 C ATOM 322 C LEU A 22 -7.995 -4.874 -1.062 1.00 0.22 C ATOM 323 O LEU A 22 -8.163 -4.813 0.143 1.00 0.26 O ATOM 324 CB LEU A 22 -9.683 -3.507 -2.306 1.00 0.35 C ATOM 325 CG LEU A 22 -9.759 -3.238 -3.839 1.00 0.65 C ATOM 326 CD1 LEU A 22 -11.024 -2.454 -4.181 1.00 1.63 C ATOM 327 CD2 LEU A 22 -8.541 -2.428 -4.270 1.00 1.50 C ATOM 0 H LEU A 22 -11.207 -5.268 -1.452 1.00 0.27 H new ATOM 0 HA LEU A 22 -8.848 -5.401 -2.947 1.00 0.27 H new ATOM 0 HB2 LEU A 22 -10.668 -3.371 -1.860 1.00 0.35 H new ATOM 0 HB3 LEU A 22 -9.019 -2.781 -1.838 1.00 0.35 H new ATOM 0 HG LEU A 22 -9.780 -4.194 -4.362 1.00 0.65 H new ATOM 0 HD11 LEU A 22 -11.062 -2.275 -5.255 1.00 1.63 H new ATOM 0 HD12 LEU A 22 -11.900 -3.027 -3.878 1.00 1.63 H new ATOM 0 HD13 LEU A 22 -11.014 -1.500 -3.654 1.00 1.63 H new ATOM 0 HD21 LEU A 22 -8.591 -2.238 -5.342 1.00 1.50 H new ATOM 0 HD22 LEU A 22 -8.527 -1.479 -3.734 1.00 1.50 H new ATOM 0 HD23 LEU A 22 -7.633 -2.987 -4.043 1.00 1.50 H new ATOM 339 N VAL A 23 -6.821 -4.897 -1.629 1.00 0.19 N ATOM 340 CA VAL A 23 -5.593 -4.862 -0.800 1.00 0.18 C ATOM 341 C VAL A 23 -4.626 -3.837 -1.398 1.00 0.18 C ATOM 342 O VAL A 23 -3.829 -4.159 -2.255 1.00 0.21 O ATOM 343 CB VAL A 23 -4.974 -6.266 -0.826 1.00 0.20 C ATOM 344 CG1 VAL A 23 -4.023 -6.444 0.351 1.00 0.27 C ATOM 345 CG2 VAL A 23 -6.098 -7.305 -0.729 1.00 0.23 C ATOM 0 H VAL A 23 -6.663 -4.939 -2.636 1.00 0.19 H new ATOM 0 HA VAL A 23 -5.813 -4.576 0.229 1.00 0.18 H new ATOM 0 HB VAL A 23 -4.417 -6.397 -1.754 1.00 0.20 H new ATOM 0 HG11 VAL A 23 -3.590 -7.444 0.321 1.00 0.27 H new ATOM 0 HG12 VAL A 23 -3.227 -5.702 0.291 1.00 0.27 H new ATOM 0 HG13 VAL A 23 -4.571 -6.313 1.284 1.00 0.27 H new ATOM 0 HG21 VAL A 23 -5.670 -8.307 -0.747 1.00 0.23 H new ATOM 0 HG22 VAL A 23 -6.647 -7.161 0.202 1.00 0.23 H new ATOM 0 HG23 VAL A 23 -6.777 -7.186 -1.573 1.00 0.23 H new ATOM 355 N VAL A 24 -4.713 -2.621 -0.925 1.00 0.18 N ATOM 356 CA VAL A 24 -3.829 -1.555 -1.487 1.00 0.19 C ATOM 357 C VAL A 24 -2.551 -1.421 -0.659 1.00 0.24 C ATOM 358 O VAL A 24 -2.587 -1.496 0.550 1.00 0.46 O ATOM 359 CB VAL A 24 -4.585 -0.231 -1.478 1.00 0.21 C ATOM 360 CG1 VAL A 24 -3.695 0.855 -2.073 1.00 0.23 C ATOM 361 CG2 VAL A 24 -5.852 -0.367 -2.325 1.00 0.20 C ATOM 0 H VAL A 24 -5.348 -2.322 -0.185 1.00 0.18 H new ATOM 0 HA VAL A 24 -3.552 -1.823 -2.506 1.00 0.19 H new ATOM 0 HB VAL A 24 -4.856 0.033 -0.456 1.00 0.21 H new ATOM 0 HG11 VAL A 24 -4.229 1.805 -2.070 1.00 0.23 H new ATOM 0 HG12 VAL A 24 -2.786 0.947 -1.478 1.00 0.23 H new ATOM 0 HG13 VAL A 24 -3.432 0.590 -3.097 1.00 0.23 H new ATOM 0 HG21 VAL A 24 -6.395 0.578 -2.321 1.00 0.20 H new ATOM 0 HG22 VAL A 24 -5.580 -0.625 -3.348 1.00 0.20 H new ATOM 0 HG23 VAL A 24 -6.485 -1.151 -1.910 1.00 0.20 H new ATOM 371 N VAL A 25 -1.448 -1.208 -1.337 1.00 0.15 N ATOM 372 CA VAL A 25 -0.144 -1.077 -0.614 1.00 0.15 C ATOM 373 C VAL A 25 0.449 0.319 -0.798 1.00 0.17 C ATOM 374 O VAL A 25 0.288 0.933 -1.835 1.00 0.29 O ATOM 375 CB VAL A 25 0.837 -2.104 -1.172 1.00 0.15 C ATOM 376 CG1 VAL A 25 2.155 -2.007 -0.409 1.00 0.26 C ATOM 377 CG2 VAL A 25 0.265 -3.507 -0.996 1.00 0.26 C ATOM 0 H VAL A 25 -1.394 -1.120 -2.352 1.00 0.15 H new ATOM 0 HA VAL A 25 -0.319 -1.245 0.449 1.00 0.15 H new ATOM 0 HB VAL A 25 1.003 -1.906 -2.231 1.00 0.15 H new ATOM 0 HG11 VAL A 25 2.859 -2.739 -0.804 1.00 0.26 H new ATOM 0 HG12 VAL A 25 2.570 -1.006 -0.525 1.00 0.26 H new ATOM 0 HG13 VAL A 25 1.979 -2.207 0.648 1.00 0.26 H new ATOM 0 HG21 VAL A 25 0.967 -4.239 -1.395 1.00 0.26 H new ATOM 0 HG22 VAL A 25 0.100 -3.702 0.064 1.00 0.26 H new ATOM 0 HG23 VAL A 25 -0.682 -3.584 -1.530 1.00 0.26 H new ATOM 387 N ASP A 26 1.124 0.785 0.225 1.00 0.15 N ATOM 388 CA ASP A 26 1.764 2.133 0.144 1.00 0.15 C ATOM 389 C ASP A 26 3.286 1.984 0.210 1.00 0.14 C ATOM 390 O ASP A 26 3.873 2.007 1.275 1.00 0.16 O ATOM 391 CB ASP A 26 1.289 2.985 1.315 1.00 0.17 C ATOM 392 CG ASP A 26 1.958 4.359 1.245 1.00 0.21 C ATOM 393 OD1 ASP A 26 2.071 4.850 0.134 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.318 4.841 2.307 1.00 1.15 O ATOM 0 H ASP A 26 1.258 0.292 1.108 1.00 0.15 H new ATOM 0 HA ASP A 26 1.488 2.611 -0.796 1.00 0.15 H new ATOM 0 HB2 ASP A 26 0.205 3.094 1.284 1.00 0.17 H new ATOM 0 HB3 ASP A 26 1.534 2.496 2.258 1.00 0.17 H new ATOM 399 N PHE A 27 3.888 1.826 -0.931 1.00 0.14 N ATOM 400 CA PHE A 27 5.369 1.675 -0.970 1.00 0.14 C ATOM 401 C PHE A 27 6.040 3.040 -0.797 1.00 0.15 C ATOM 402 O PHE A 27 6.219 3.773 -1.749 1.00 0.19 O ATOM 403 CB PHE A 27 5.754 1.071 -2.313 1.00 0.16 C ATOM 404 CG PHE A 27 5.409 -0.421 -2.308 1.00 0.15 C ATOM 405 CD1 PHE A 27 6.290 -1.338 -1.764 1.00 0.15 C ATOM 406 CD2 PHE A 27 4.212 -0.876 -2.847 1.00 0.16 C ATOM 407 CE1 PHE A 27 5.987 -2.683 -1.761 1.00 0.16 C ATOM 408 CE2 PHE A 27 3.916 -2.228 -2.839 1.00 0.16 C ATOM 409 CZ PHE A 27 4.804 -3.126 -2.297 1.00 0.16 C ATOM 0 H PHE A 27 3.422 1.795 -1.838 1.00 0.14 H new ATOM 0 HA PHE A 27 5.700 1.025 -0.160 1.00 0.14 H new ATOM 0 HB2 PHE A 27 5.223 1.577 -3.119 1.00 0.16 H new ATOM 0 HB3 PHE A 27 6.819 1.210 -2.496 1.00 0.16 H new ATOM 0 HD1 PHE A 27 7.222 -0.998 -1.338 1.00 0.15 H new ATOM 0 HD2 PHE A 27 3.511 -0.173 -3.273 1.00 0.16 H new ATOM 0 HE1 PHE A 27 6.683 -3.390 -1.335 1.00 0.16 H new ATOM 0 HE2 PHE A 27 2.985 -2.578 -3.260 1.00 0.16 H new ATOM 0 HZ PHE A 27 4.571 -4.181 -2.293 1.00 0.16 H new ATOM 419 N SER A 28 6.395 3.349 0.422 1.00 0.15 N ATOM 420 CA SER A 28 7.048 4.664 0.685 1.00 0.16 C ATOM 421 C SER A 28 8.114 4.514 1.775 1.00 0.17 C ATOM 422 O SER A 28 8.339 3.432 2.282 1.00 0.21 O ATOM 423 CB SER A 28 5.990 5.663 1.147 1.00 0.21 C ATOM 424 OG SER A 28 6.208 5.779 2.545 1.00 1.16 O ATOM 0 H SER A 28 6.263 2.754 1.240 1.00 0.15 H new ATOM 0 HA SER A 28 7.523 5.019 -0.230 1.00 0.16 H new ATOM 0 HB2 SER A 28 6.103 6.624 0.645 1.00 0.21 H new ATOM 0 HB3 SER A 28 4.983 5.306 0.929 1.00 0.21 H new ATOM 0 HG SER A 28 5.563 6.411 2.925 1.00 1.16 H new ATOM 430 N ALA A 29 8.748 5.607 2.111 1.00 0.21 N ATOM 431 CA ALA A 29 9.799 5.554 3.172 1.00 0.25 C ATOM 432 C ALA A 29 9.229 6.064 4.501 1.00 0.30 C ATOM 433 O ALA A 29 8.609 7.108 4.553 1.00 0.31 O ATOM 434 CB ALA A 29 10.976 6.432 2.752 1.00 0.29 C ATOM 0 H ALA A 29 8.586 6.527 1.701 1.00 0.21 H new ATOM 0 HA ALA A 29 10.131 4.524 3.301 1.00 0.25 H new ATOM 0 HB1 ALA A 29 11.747 6.399 3.521 1.00 0.29 H new ATOM 0 HB2 ALA A 29 11.386 6.065 1.811 1.00 0.29 H new ATOM 0 HB3 ALA A 29 10.636 7.460 2.624 1.00 0.29 H new ATOM 440 N THR A 30 9.450 5.315 5.548 1.00 0.41 N ATOM 441 CA THR A 30 8.925 5.744 6.879 1.00 0.49 C ATOM 442 C THR A 30 9.923 6.680 7.565 1.00 0.53 C ATOM 443 O THR A 30 9.545 7.554 8.320 1.00 0.65 O ATOM 444 CB THR A 30 8.698 4.506 7.751 1.00 0.61 C ATOM 445 OG1 THR A 30 7.941 4.978 8.860 1.00 0.71 O ATOM 446 CG2 THR A 30 10.007 3.992 8.345 1.00 0.69 C ATOM 0 H THR A 30 9.965 4.435 5.542 1.00 0.41 H new ATOM 0 HA THR A 30 7.984 6.277 6.740 1.00 0.49 H new ATOM 0 HB THR A 30 8.232 3.716 7.162 1.00 0.61 H new ATOM 0 HG1 THR A 30 7.753 4.233 9.469 1.00 0.71 H new ATOM 0 HG21 THR A 30 9.808 3.113 8.958 1.00 0.69 H new ATOM 0 HG22 THR A 30 10.692 3.726 7.540 1.00 0.69 H new ATOM 0 HG23 THR A 30 10.457 4.770 8.962 1.00 0.69 H new ATOM 454 N TRP A 31 11.176 6.474 7.284 1.00 0.54 N ATOM 455 CA TRP A 31 12.224 7.336 7.901 1.00 0.59 C ATOM 456 C TRP A 31 12.159 8.747 7.309 1.00 0.53 C ATOM 457 O TRP A 31 12.185 9.728 8.025 1.00 0.57 O ATOM 458 CB TRP A 31 13.584 6.728 7.592 1.00 0.65 C ATOM 459 CG TRP A 31 13.701 6.553 6.077 1.00 0.56 C ATOM 460 CD1 TRP A 31 13.242 5.495 5.416 1.00 0.51 C ATOM 461 CD2 TRP A 31 14.230 7.438 5.244 1.00 0.53 C ATOM 462 NE1 TRP A 31 13.518 5.775 4.136 1.00 0.45 N ATOM 463 CE2 TRP A 31 14.142 6.983 3.940 1.00 0.47 C ATOM 464 CE3 TRP A 31 14.811 8.676 5.493 1.00 0.59 C ATOM 465 CZ2 TRP A 31 14.622 7.748 2.902 1.00 0.47 C ATOM 466 CZ3 TRP A 31 15.293 9.437 4.447 1.00 0.59 C ATOM 467 CH2 TRP A 31 15.199 8.973 3.154 1.00 0.54 C ATOM 0 H TRP A 31 11.522 5.749 6.656 1.00 0.54 H new ATOM 0 HA TRP A 31 12.065 7.397 8.978 1.00 0.59 H new ATOM 0 HB2 TRP A 31 14.381 7.373 7.962 1.00 0.65 H new ATOM 0 HB3 TRP A 31 13.693 5.767 8.094 1.00 0.65 H new ATOM 0 HD1 TRP A 31 12.760 4.616 5.817 1.00 0.51 H new ATOM 0 HE1 TRP A 31 13.284 5.144 3.370 1.00 0.45 H new ATOM 0 HE3 TRP A 31 14.885 9.043 6.506 1.00 0.59 H new ATOM 0 HZ2 TRP A 31 14.546 7.387 1.887 1.00 0.47 H new ATOM 0 HZ3 TRP A 31 15.745 10.398 4.643 1.00 0.59 H new ATOM 0 HH2 TRP A 31 15.578 9.570 2.337 1.00 0.54 H new ATOM 478 N CYS A 32 12.075 8.813 6.008 1.00 0.46 N ATOM 479 CA CYS A 32 12.014 10.144 5.341 1.00 0.44 C ATOM 480 C CYS A 32 10.874 10.984 5.929 1.00 0.44 C ATOM 481 O CYS A 32 9.998 10.470 6.596 1.00 0.49 O ATOM 482 CB CYS A 32 11.781 9.943 3.847 1.00 0.41 C ATOM 483 SG CYS A 32 11.430 11.416 2.857 1.00 0.70 S ATOM 0 H CYS A 32 12.046 8.008 5.382 1.00 0.46 H new ATOM 0 HA CYS A 32 12.955 10.669 5.504 1.00 0.44 H new ATOM 0 HB2 CYS A 32 12.664 9.459 3.430 1.00 0.41 H new ATOM 0 HB3 CYS A 32 10.949 9.249 3.726 1.00 0.41 H new ATOM 0 HG CYS A 32 10.409 11.187 2.086 1.00 0.70 H new ATOM 489 N GLY A 33 10.914 12.261 5.666 1.00 0.44 N ATOM 490 CA GLY A 33 9.845 13.161 6.198 1.00 0.45 C ATOM 491 C GLY A 33 8.749 13.413 5.145 1.00 0.43 C ATOM 492 O GLY A 33 7.630 12.963 5.294 1.00 0.42 O ATOM 0 H GLY A 33 11.635 12.721 5.110 1.00 0.44 H new ATOM 0 HA2 GLY A 33 9.401 12.715 7.088 1.00 0.45 H new ATOM 0 HA3 GLY A 33 10.285 14.111 6.503 1.00 0.45 H new ATOM 496 N PRO A 34 9.101 14.133 4.095 1.00 0.46 N ATOM 497 CA PRO A 34 8.150 14.452 3.022 1.00 0.48 C ATOM 498 C PRO A 34 7.379 13.208 2.576 1.00 0.44 C ATOM 499 O PRO A 34 6.241 13.301 2.161 1.00 0.54 O ATOM 500 CB PRO A 34 9.006 15.017 1.885 1.00 0.53 C ATOM 501 CG PRO A 34 10.439 15.245 2.461 1.00 0.55 C ATOM 502 CD PRO A 34 10.461 14.654 3.885 1.00 0.51 C ATOM 0 HA PRO A 34 7.393 15.165 3.349 1.00 0.48 H new ATOM 0 HB2 PRO A 34 9.034 14.325 1.043 1.00 0.53 H new ATOM 0 HB3 PRO A 34 8.586 15.952 1.515 1.00 0.53 H new ATOM 0 HG2 PRO A 34 11.187 14.761 1.833 1.00 0.55 H new ATOM 0 HG3 PRO A 34 10.680 16.308 2.482 1.00 0.55 H new ATOM 0 HD2 PRO A 34 11.206 13.863 3.974 1.00 0.51 H new ATOM 0 HD3 PRO A 34 10.713 15.414 4.625 1.00 0.51 H new ATOM 510 N CYS A 35 8.006 12.071 2.669 1.00 0.39 N ATOM 511 CA CYS A 35 7.295 10.827 2.269 1.00 0.36 C ATOM 512 C CYS A 35 6.261 10.472 3.336 1.00 0.34 C ATOM 513 O CYS A 35 5.190 9.987 3.030 1.00 0.38 O ATOM 514 CB CYS A 35 8.297 9.684 2.132 1.00 0.37 C ATOM 515 SG CYS A 35 9.641 9.893 0.939 1.00 0.50 S ATOM 0 H CYS A 35 8.963 11.949 2.999 1.00 0.39 H new ATOM 0 HA CYS A 35 6.796 10.985 1.313 1.00 0.36 H new ATOM 0 HB2 CYS A 35 8.741 9.506 3.112 1.00 0.37 H new ATOM 0 HB3 CYS A 35 7.745 8.783 1.864 1.00 0.37 H new ATOM 0 HG CYS A 35 10.770 10.006 1.573 1.00 0.50 H new ATOM 521 N LYS A 36 6.603 10.724 4.575 1.00 0.36 N ATOM 522 CA LYS A 36 5.648 10.414 5.667 1.00 0.37 C ATOM 523 C LYS A 36 4.742 11.624 5.931 1.00 0.39 C ATOM 524 O LYS A 36 3.960 11.628 6.853 1.00 0.54 O ATOM 525 CB LYS A 36 6.424 10.060 6.944 1.00 0.41 C ATOM 526 CG LYS A 36 5.429 9.585 8.017 1.00 0.54 C ATOM 527 CD LYS A 36 6.123 8.660 9.025 1.00 0.63 C ATOM 528 CE LYS A 36 7.146 9.458 9.845 1.00 1.26 C ATOM 529 NZ LYS A 36 6.842 9.352 11.300 1.00 2.03 N ATOM 0 H LYS A 36 7.493 11.126 4.869 1.00 0.36 H new ATOM 0 HA LYS A 36 5.030 9.566 5.371 1.00 0.37 H new ATOM 0 HB2 LYS A 36 7.155 9.279 6.736 1.00 0.41 H new ATOM 0 HB3 LYS A 36 6.978 10.928 7.301 1.00 0.41 H new ATOM 0 HG2 LYS A 36 5.007 10.446 8.536 1.00 0.54 H new ATOM 0 HG3 LYS A 36 4.599 9.059 7.544 1.00 0.54 H new ATOM 0 HD2 LYS A 36 5.384 8.210 9.688 1.00 0.63 H new ATOM 0 HD3 LYS A 36 6.620 7.844 8.501 1.00 0.63 H new ATOM 0 HE2 LYS A 36 8.151 9.083 9.649 1.00 1.26 H new ATOM 0 HE3 LYS A 36 7.130 10.504 9.539 1.00 1.26 H new ATOM 0 HZ1 LYS A 36 7.543 9.897 11.842 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 5.891 9.731 11.484 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 6.880 8.354 11.591 1.00 2.03 H new ATOM 543 N MET A 37 4.875 12.632 5.125 1.00 0.38 N ATOM 544 CA MET A 37 4.004 13.824 5.321 1.00 0.43 C ATOM 545 C MET A 37 2.638 13.544 4.701 1.00 0.44 C ATOM 546 O MET A 37 1.663 14.208 4.994 1.00 0.48 O ATOM 547 CB MET A 37 4.644 15.034 4.649 1.00 0.47 C ATOM 548 CG MET A 37 4.020 16.312 5.211 1.00 0.86 C ATOM 549 SD MET A 37 4.578 17.884 4.512 1.00 1.88 S ATOM 550 CE MET A 37 3.900 18.959 5.801 1.00 2.44 C ATOM 0 H MET A 37 5.536 12.687 4.350 1.00 0.38 H new ATOM 0 HA MET A 37 3.885 14.031 6.385 1.00 0.43 H new ATOM 0 HB2 MET A 37 5.720 15.034 4.823 1.00 0.47 H new ATOM 0 HB3 MET A 37 4.495 14.987 3.570 1.00 0.47 H new ATOM 0 HG2 MET A 37 2.940 16.247 5.077 1.00 0.86 H new ATOM 0 HG3 MET A 37 4.207 16.335 6.285 1.00 0.86 H new ATOM 0 HE1 MET A 37 4.132 19.998 5.567 1.00 2.44 H new ATOM 0 HE2 MET A 37 2.819 18.831 5.850 1.00 2.44 H new ATOM 0 HE3 MET A 37 4.341 18.696 6.763 1.00 2.44 H new ATOM 560 N ILE A 38 2.607 12.554 3.853 1.00 0.45 N ATOM 561 CA ILE A 38 1.320 12.177 3.193 1.00 0.49 C ATOM 562 C ILE A 38 0.677 11.003 3.946 1.00 0.49 C ATOM 563 O ILE A 38 -0.283 10.416 3.490 1.00 0.50 O ATOM 564 CB ILE A 38 1.609 11.747 1.747 1.00 0.61 C ATOM 565 CG1 ILE A 38 2.414 12.847 1.007 1.00 0.79 C ATOM 566 CG2 ILE A 38 0.292 11.466 1.017 1.00 0.80 C ATOM 567 CD1 ILE A 38 1.528 14.061 0.660 1.00 1.17 C ATOM 0 H ILE A 38 3.414 11.989 3.587 1.00 0.45 H new ATOM 0 HA ILE A 38 0.641 13.030 3.203 1.00 0.49 H new ATOM 0 HB ILE A 38 2.207 10.836 1.761 1.00 0.61 H new ATOM 0 HG12 ILE A 38 3.248 13.170 1.630 1.00 0.79 H new ATOM 0 HG13 ILE A 38 2.841 12.434 0.093 1.00 0.79 H new ATOM 0 HG21 ILE A 38 0.502 11.161 -0.008 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -0.245 10.668 1.530 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -0.319 12.368 1.009 1.00 0.80 H new ATOM 0 HD11 ILE A 38 2.126 14.811 0.142 1.00 1.17 H new ATOM 0 HD12 ILE A 38 0.709 13.741 0.015 1.00 1.17 H new ATOM 0 HD13 ILE A 38 1.122 14.489 1.577 1.00 1.17 H new ATOM 579 N LYS A 39 1.231 10.692 5.081 1.00 0.62 N ATOM 580 CA LYS A 39 0.688 9.560 5.891 1.00 0.69 C ATOM 581 C LYS A 39 -0.711 9.872 6.468 1.00 0.60 C ATOM 582 O LYS A 39 -1.576 9.029 6.451 1.00 0.58 O ATOM 583 CB LYS A 39 1.642 9.263 7.056 1.00 0.89 C ATOM 584 CG LYS A 39 1.978 7.761 7.117 1.00 1.51 C ATOM 585 CD LYS A 39 2.373 7.398 8.552 1.00 1.65 C ATOM 586 CE LYS A 39 2.726 5.909 8.619 1.00 2.46 C ATOM 587 NZ LYS A 39 3.663 5.647 9.748 1.00 2.57 N ATOM 0 H LYS A 39 2.036 11.170 5.486 1.00 0.62 H new ATOM 0 HA LYS A 39 0.599 8.700 5.228 1.00 0.69 H new ATOM 0 HB2 LYS A 39 2.559 9.841 6.938 1.00 0.89 H new ATOM 0 HB3 LYS A 39 1.186 9.577 7.995 1.00 0.89 H new ATOM 0 HG2 LYS A 39 1.118 7.169 6.802 1.00 1.51 H new ATOM 0 HG3 LYS A 39 2.793 7.529 6.432 1.00 1.51 H new ATOM 0 HD2 LYS A 39 3.224 8.000 8.870 1.00 1.65 H new ATOM 0 HD3 LYS A 39 1.553 7.620 9.234 1.00 1.65 H new ATOM 0 HE2 LYS A 39 1.818 5.319 8.747 1.00 2.46 H new ATOM 0 HE3 LYS A 39 3.181 5.594 7.680 1.00 2.46 H new ATOM 0 HZ1 LYS A 39 3.893 4.633 9.780 1.00 2.57 H new ATOM 0 HZ2 LYS A 39 4.536 6.196 9.609 1.00 2.57 H new ATOM 0 HZ3 LYS A 39 3.215 5.929 10.643 1.00 2.57 H new ATOM 601 N PRO A 40 -0.913 11.079 6.980 1.00 0.64 N ATOM 602 CA PRO A 40 -2.209 11.436 7.570 1.00 0.67 C ATOM 603 C PRO A 40 -3.316 11.366 6.515 1.00 0.55 C ATOM 604 O PRO A 40 -4.463 11.650 6.796 1.00 0.63 O ATOM 605 CB PRO A 40 -2.035 12.865 8.096 1.00 0.77 C ATOM 606 CG PRO A 40 -0.545 13.262 7.867 1.00 0.80 C ATOM 607 CD PRO A 40 0.093 12.158 7.005 1.00 0.71 C ATOM 0 HA PRO A 40 -2.500 10.751 8.366 1.00 0.67 H new ATOM 0 HB2 PRO A 40 -2.701 13.551 7.573 1.00 0.77 H new ATOM 0 HB3 PRO A 40 -2.289 12.919 9.155 1.00 0.77 H new ATOM 0 HG2 PRO A 40 -0.477 14.228 7.367 1.00 0.80 H new ATOM 0 HG3 PRO A 40 -0.022 13.358 8.818 1.00 0.80 H new ATOM 0 HD2 PRO A 40 0.314 12.518 6.000 1.00 0.71 H new ATOM 0 HD3 PRO A 40 1.034 11.813 7.434 1.00 0.71 H new ATOM 615 N PHE A 41 -2.937 10.996 5.319 1.00 0.42 N ATOM 616 CA PHE A 41 -3.942 10.880 4.221 1.00 0.35 C ATOM 617 C PHE A 41 -4.224 9.398 3.916 1.00 0.29 C ATOM 618 O PHE A 41 -5.363 8.986 3.827 1.00 0.32 O ATOM 619 CB PHE A 41 -3.391 11.578 2.980 1.00 0.34 C ATOM 620 CG PHE A 41 -3.421 13.091 3.213 1.00 0.41 C ATOM 621 CD1 PHE A 41 -2.389 13.718 3.890 1.00 0.45 C ATOM 622 CD2 PHE A 41 -4.482 13.852 2.752 1.00 0.51 C ATOM 623 CE1 PHE A 41 -2.418 15.081 4.102 1.00 0.54 C ATOM 624 CE2 PHE A 41 -4.508 15.216 2.965 1.00 0.59 C ATOM 625 CZ PHE A 41 -3.477 15.828 3.640 1.00 0.59 C ATOM 0 H PHE A 41 -1.978 10.770 5.056 1.00 0.42 H new ATOM 0 HA PHE A 41 -4.877 11.351 4.524 1.00 0.35 H new ATOM 0 HB2 PHE A 41 -2.372 11.247 2.781 1.00 0.34 H new ATOM 0 HB3 PHE A 41 -3.987 11.319 2.105 1.00 0.34 H new ATOM 0 HD1 PHE A 41 -1.555 13.136 4.255 1.00 0.45 H new ATOM 0 HD2 PHE A 41 -5.294 13.376 2.223 1.00 0.51 H new ATOM 0 HE1 PHE A 41 -1.609 15.562 4.631 1.00 0.54 H new ATOM 0 HE2 PHE A 41 -5.338 15.803 2.601 1.00 0.59 H new ATOM 0 HZ PHE A 41 -3.499 16.895 3.807 1.00 0.59 H new ATOM 635 N PHE A 42 -3.173 8.631 3.763 1.00 0.24 N ATOM 636 CA PHE A 42 -3.354 7.172 3.469 1.00 0.21 C ATOM 637 C PHE A 42 -3.536 6.389 4.773 1.00 0.23 C ATOM 638 O PHE A 42 -4.113 5.320 4.787 1.00 0.31 O ATOM 639 CB PHE A 42 -2.111 6.650 2.741 1.00 0.25 C ATOM 640 CG PHE A 42 -2.255 5.142 2.495 1.00 0.20 C ATOM 641 CD1 PHE A 42 -3.108 4.675 1.513 1.00 0.22 C ATOM 642 CD2 PHE A 42 -1.533 4.225 3.249 1.00 0.18 C ATOM 643 CE1 PHE A 42 -3.241 3.322 1.285 1.00 0.21 C ATOM 644 CE2 PHE A 42 -1.671 2.872 3.019 1.00 0.18 C ATOM 645 CZ PHE A 42 -2.524 2.421 2.038 1.00 0.20 C ATOM 0 H PHE A 42 -2.205 8.946 3.828 1.00 0.24 H new ATOM 0 HA PHE A 42 -4.239 7.040 2.846 1.00 0.21 H new ATOM 0 HB2 PHE A 42 -1.986 7.173 1.793 1.00 0.25 H new ATOM 0 HB3 PHE A 42 -1.219 6.848 3.335 1.00 0.25 H new ATOM 0 HD1 PHE A 42 -3.675 5.376 0.919 1.00 0.22 H new ATOM 0 HD2 PHE A 42 -0.860 4.573 4.019 1.00 0.18 H new ATOM 0 HE1 PHE A 42 -3.909 2.969 0.514 1.00 0.21 H new ATOM 0 HE2 PHE A 42 -1.108 2.165 3.610 1.00 0.18 H new ATOM 0 HZ PHE A 42 -2.631 1.361 1.859 1.00 0.20 H new ATOM 655 N HIS A 43 -3.037 6.944 5.839 1.00 0.26 N ATOM 656 CA HIS A 43 -3.147 6.252 7.157 1.00 0.30 C ATOM 657 C HIS A 43 -4.495 6.575 7.822 1.00 0.33 C ATOM 658 O HIS A 43 -4.878 5.947 8.787 1.00 0.42 O ATOM 659 CB HIS A 43 -1.998 6.721 8.058 1.00 0.34 C ATOM 660 CG HIS A 43 -1.841 5.758 9.241 1.00 0.39 C ATOM 661 ND1 HIS A 43 -2.694 4.910 9.594 1.00 0.39 N ATOM 662 CD2 HIS A 43 -0.787 5.607 10.131 1.00 0.46 C ATOM 663 CE1 HIS A 43 -2.296 4.246 10.603 1.00 0.44 C ATOM 664 NE2 HIS A 43 -1.088 4.624 11.014 1.00 0.50 N ATOM 0 H HIS A 43 -2.558 7.844 5.858 1.00 0.26 H new ATOM 0 HA HIS A 43 -3.088 5.174 7.006 1.00 0.30 H new ATOM 0 HB2 HIS A 43 -1.070 6.765 7.487 1.00 0.34 H new ATOM 0 HB3 HIS A 43 -2.197 7.729 8.422 1.00 0.34 H new ATOM 0 HD1 HIS A 43 -3.592 4.770 9.131 1.00 0.39 H new ATOM 0 HD2 HIS A 43 0.128 6.181 10.121 1.00 0.46 H new ATOM 0 HE1 HIS A 43 -2.873 3.464 11.073 1.00 0.44 H new ATOM 672 N SER A 44 -5.185 7.548 7.289 1.00 0.33 N ATOM 673 CA SER A 44 -6.508 7.915 7.885 1.00 0.38 C ATOM 674 C SER A 44 -7.604 7.009 7.333 1.00 0.37 C ATOM 675 O SER A 44 -8.660 6.876 7.919 1.00 0.46 O ATOM 676 CB SER A 44 -6.828 9.369 7.546 1.00 0.42 C ATOM 677 OG SER A 44 -7.610 9.818 8.643 1.00 1.41 O ATOM 0 H SER A 44 -4.898 8.098 6.480 1.00 0.33 H new ATOM 0 HA SER A 44 -6.459 7.790 8.967 1.00 0.38 H new ATOM 0 HB2 SER A 44 -5.920 9.961 7.435 1.00 0.42 H new ATOM 0 HB3 SER A 44 -7.376 9.448 6.607 1.00 0.42 H new ATOM 0 HG SER A 44 -7.860 10.755 8.505 1.00 1.41 H new ATOM 683 N LEU A 45 -7.331 6.406 6.214 1.00 0.33 N ATOM 684 CA LEU A 45 -8.344 5.495 5.610 1.00 0.34 C ATOM 685 C LEU A 45 -8.508 4.258 6.495 1.00 0.32 C ATOM 686 O LEU A 45 -9.392 3.450 6.289 1.00 0.35 O ATOM 687 CB LEU A 45 -7.873 5.067 4.218 1.00 0.35 C ATOM 688 CG LEU A 45 -7.454 6.307 3.418 1.00 0.43 C ATOM 689 CD1 LEU A 45 -6.946 5.867 2.044 1.00 0.43 C ATOM 690 CD2 LEU A 45 -8.661 7.235 3.235 1.00 0.60 C ATOM 0 H LEU A 45 -6.459 6.501 5.693 1.00 0.33 H new ATOM 0 HA LEU A 45 -9.300 6.013 5.529 1.00 0.34 H new ATOM 0 HB2 LEU A 45 -7.035 4.375 4.302 1.00 0.35 H new ATOM 0 HB3 LEU A 45 -8.672 4.538 3.698 1.00 0.35 H new ATOM 0 HG LEU A 45 -6.667 6.837 3.954 1.00 0.43 H new ATOM 0 HD11 LEU A 45 -6.646 6.743 1.469 1.00 0.43 H new ATOM 0 HD12 LEU A 45 -6.090 5.204 2.168 1.00 0.43 H new ATOM 0 HD13 LEU A 45 -7.740 5.340 1.514 1.00 0.43 H new ATOM 0 HD21 LEU A 45 -8.360 8.115 2.666 1.00 0.60 H new ATOM 0 HD22 LEU A 45 -9.448 6.707 2.697 1.00 0.60 H new ATOM 0 HD23 LEU A 45 -9.034 7.544 4.212 1.00 0.60 H new ATOM 702 N SER A 46 -7.645 4.145 7.466 1.00 0.31 N ATOM 703 CA SER A 46 -7.715 2.975 8.388 1.00 0.34 C ATOM 704 C SER A 46 -9.105 2.877 9.023 1.00 0.36 C ATOM 705 O SER A 46 -9.674 1.808 9.117 1.00 0.44 O ATOM 706 CB SER A 46 -6.670 3.154 9.488 1.00 0.39 C ATOM 707 OG SER A 46 -6.636 1.898 10.145 1.00 1.10 O ATOM 0 H SER A 46 -6.896 4.809 7.661 1.00 0.31 H new ATOM 0 HA SER A 46 -7.522 2.062 7.825 1.00 0.34 H new ATOM 0 HB2 SER A 46 -5.696 3.413 9.073 1.00 0.39 H new ATOM 0 HB3 SER A 46 -6.947 3.955 10.174 1.00 0.39 H new ATOM 0 HG SER A 46 -5.981 1.927 10.873 1.00 1.10 H new ATOM 713 N GLU A 47 -9.621 3.998 9.444 1.00 0.39 N ATOM 714 CA GLU A 47 -10.967 3.991 10.086 1.00 0.45 C ATOM 715 C GLU A 47 -12.065 4.236 9.042 1.00 0.43 C ATOM 716 O GLU A 47 -13.144 3.684 9.136 1.00 0.51 O ATOM 717 CB GLU A 47 -11.013 5.092 11.144 1.00 0.57 C ATOM 718 CG GLU A 47 -9.905 4.848 12.173 1.00 0.73 C ATOM 719 CD GLU A 47 -10.445 5.132 13.576 1.00 1.41 C ATOM 720 OE1 GLU A 47 -11.258 6.036 13.670 1.00 2.00 O ATOM 721 OE2 GLU A 47 -10.013 4.429 14.475 1.00 2.02 O ATOM 0 H GLU A 47 -9.174 4.912 9.373 1.00 0.39 H new ATOM 0 HA GLU A 47 -11.140 3.018 10.546 1.00 0.45 H new ATOM 0 HB2 GLU A 47 -10.883 6.068 10.676 1.00 0.57 H new ATOM 0 HB3 GLU A 47 -11.986 5.101 11.635 1.00 0.57 H new ATOM 0 HG2 GLU A 47 -9.553 3.818 12.108 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -9.050 5.491 11.963 1.00 0.73 H new ATOM 728 N LYS A 48 -11.769 5.056 8.071 1.00 0.42 N ATOM 729 CA LYS A 48 -12.792 5.344 7.024 1.00 0.46 C ATOM 730 C LYS A 48 -13.218 4.053 6.314 1.00 0.39 C ATOM 731 O LYS A 48 -14.321 3.577 6.501 1.00 0.43 O ATOM 732 CB LYS A 48 -12.213 6.318 6.009 1.00 0.54 C ATOM 733 CG LYS A 48 -13.369 7.013 5.296 1.00 0.77 C ATOM 734 CD LYS A 48 -13.694 8.322 6.017 1.00 1.56 C ATOM 735 CE LYS A 48 -14.948 8.943 5.396 1.00 1.89 C ATOM 736 NZ LYS A 48 -14.654 10.309 4.882 1.00 2.74 N ATOM 0 H LYS A 48 -10.875 5.534 7.957 1.00 0.42 H new ATOM 0 HA LYS A 48 -13.669 5.783 7.500 1.00 0.46 H new ATOM 0 HB2 LYS A 48 -11.578 7.051 6.506 1.00 0.54 H new ATOM 0 HB3 LYS A 48 -11.587 5.789 5.290 1.00 0.54 H new ATOM 0 HG2 LYS A 48 -13.104 7.213 4.258 1.00 0.77 H new ATOM 0 HG3 LYS A 48 -14.245 6.365 5.282 1.00 0.77 H new ATOM 0 HD2 LYS A 48 -13.854 8.136 7.079 1.00 1.56 H new ATOM 0 HD3 LYS A 48 -12.854 9.013 5.938 1.00 1.56 H new ATOM 0 HE2 LYS A 48 -15.309 8.312 4.584 1.00 1.89 H new ATOM 0 HE3 LYS A 48 -15.743 8.991 6.140 1.00 1.89 H new ATOM 0 HZ1 LYS A 48 -15.515 10.716 4.464 1.00 2.74 H new ATOM 0 HZ2 LYS A 48 -14.331 10.912 5.665 1.00 2.74 H new ATOM 0 HZ3 LYS A 48 -13.910 10.255 4.157 1.00 2.74 H new ATOM 750 N TYR A 49 -12.338 3.515 5.516 1.00 0.34 N ATOM 751 CA TYR A 49 -12.682 2.259 4.788 1.00 0.32 C ATOM 752 C TYR A 49 -12.369 1.039 5.660 1.00 0.30 C ATOM 753 O TYR A 49 -11.251 0.565 5.693 1.00 0.37 O ATOM 754 CB TYR A 49 -11.865 2.189 3.499 1.00 0.37 C ATOM 755 CG TYR A 49 -12.513 3.083 2.440 1.00 0.39 C ATOM 756 CD1 TYR A 49 -13.577 2.623 1.691 1.00 0.43 C ATOM 757 CD2 TYR A 49 -12.044 4.362 2.219 1.00 0.44 C ATOM 758 CE1 TYR A 49 -14.162 3.430 0.735 1.00 0.47 C ATOM 759 CE2 TYR A 49 -12.628 5.168 1.263 1.00 0.50 C ATOM 760 CZ TYR A 49 -13.693 4.708 0.514 1.00 0.50 C ATOM 761 OH TYR A 49 -14.277 5.514 -0.441 1.00 0.57 O ATOM 0 H TYR A 49 -11.405 3.885 5.337 1.00 0.34 H new ATOM 0 HA TYR A 49 -13.747 2.259 4.554 1.00 0.32 H new ATOM 0 HB2 TYR A 49 -10.841 2.511 3.686 1.00 0.37 H new ATOM 0 HB3 TYR A 49 -11.815 1.160 3.142 1.00 0.37 H new ATOM 0 HD1 TYR A 49 -13.955 1.624 1.854 1.00 0.43 H new ATOM 0 HD2 TYR A 49 -11.213 4.735 2.799 1.00 0.44 H new ATOM 0 HE1 TYR A 49 -14.994 3.057 0.156 1.00 0.47 H new ATOM 0 HE2 TYR A 49 -12.249 6.166 1.099 1.00 0.50 H new ATOM 0 HH TYR A 49 -13.820 6.381 -0.461 1.00 0.57 H new ATOM 771 N SER A 50 -13.367 0.558 6.350 1.00 0.37 N ATOM 772 CA SER A 50 -13.147 -0.628 7.228 1.00 0.41 C ATOM 773 C SER A 50 -13.339 -1.924 6.434 1.00 0.40 C ATOM 774 O SER A 50 -13.063 -3.000 6.925 1.00 0.45 O ATOM 775 CB SER A 50 -14.146 -0.585 8.383 1.00 0.49 C ATOM 776 OG SER A 50 -15.413 -0.541 7.743 1.00 0.55 O ATOM 0 H SER A 50 -14.317 0.930 6.345 1.00 0.37 H new ATOM 0 HA SER A 50 -12.128 -0.603 7.614 1.00 0.41 H new ATOM 0 HB2 SER A 50 -14.053 -1.462 9.023 1.00 0.49 H new ATOM 0 HB3 SER A 50 -13.988 0.289 9.015 1.00 0.49 H new ATOM 0 HG SER A 50 -16.121 -0.513 8.420 1.00 0.55 H new ATOM 782 N ASN A 51 -13.807 -1.791 5.224 1.00 0.39 N ATOM 783 CA ASN A 51 -14.024 -3.006 4.384 1.00 0.44 C ATOM 784 C ASN A 51 -12.827 -3.233 3.455 1.00 0.40 C ATOM 785 O ASN A 51 -12.832 -4.140 2.646 1.00 0.63 O ATOM 786 CB ASN A 51 -15.289 -2.818 3.548 1.00 0.53 C ATOM 787 CG ASN A 51 -15.676 -4.156 2.913 1.00 0.64 C ATOM 788 OD1 ASN A 51 -15.033 -5.165 3.124 1.00 1.28 O ATOM 789 ND2 ASN A 51 -16.717 -4.208 2.129 1.00 1.21 N ATOM 0 H ASN A 51 -14.047 -0.904 4.782 1.00 0.39 H new ATOM 0 HA ASN A 51 -14.133 -3.874 5.034 1.00 0.44 H new ATOM 0 HB2 ASN A 51 -16.102 -2.450 4.174 1.00 0.53 H new ATOM 0 HB3 ASN A 51 -15.120 -2.070 2.774 1.00 0.53 H new ATOM 0 HD21 ASN A 51 -16.987 -5.092 1.697 1.00 1.21 H new ATOM 0 HD22 ASN A 51 -17.261 -3.365 1.948 1.00 1.21 H new ATOM 796 N VAL A 52 -11.827 -2.398 3.595 1.00 0.32 N ATOM 797 CA VAL A 52 -10.608 -2.539 2.734 1.00 0.27 C ATOM 798 C VAL A 52 -9.367 -2.694 3.617 1.00 0.25 C ATOM 799 O VAL A 52 -9.311 -2.151 4.703 1.00 0.31 O ATOM 800 CB VAL A 52 -10.456 -1.286 1.866 1.00 0.29 C ATOM 801 CG1 VAL A 52 -9.302 -1.491 0.878 1.00 0.34 C ATOM 802 CG2 VAL A 52 -11.748 -1.043 1.084 1.00 0.32 C ATOM 0 H VAL A 52 -11.800 -1.628 4.264 1.00 0.32 H new ATOM 0 HA VAL A 52 -10.713 -3.419 2.100 1.00 0.27 H new ATOM 0 HB VAL A 52 -10.249 -0.427 2.504 1.00 0.29 H new ATOM 0 HG11 VAL A 52 -9.191 -0.601 0.259 1.00 0.34 H new ATOM 0 HG12 VAL A 52 -8.378 -1.667 1.429 1.00 0.34 H new ATOM 0 HG13 VAL A 52 -9.515 -2.351 0.243 1.00 0.34 H new ATOM 0 HG21 VAL A 52 -11.638 -0.151 0.467 1.00 0.32 H new ATOM 0 HG22 VAL A 52 -11.954 -1.902 0.446 1.00 0.32 H new ATOM 0 HG23 VAL A 52 -12.574 -0.902 1.781 1.00 0.32 H new ATOM 812 N ILE A 53 -8.397 -3.430 3.132 1.00 0.20 N ATOM 813 CA ILE A 53 -7.153 -3.627 3.935 1.00 0.19 C ATOM 814 C ILE A 53 -6.024 -2.775 3.355 1.00 0.17 C ATOM 815 O ILE A 53 -5.806 -2.751 2.152 1.00 0.19 O ATOM 816 CB ILE A 53 -6.771 -5.117 3.913 1.00 0.21 C ATOM 817 CG1 ILE A 53 -7.853 -5.926 4.666 1.00 0.36 C ATOM 818 CG2 ILE A 53 -5.412 -5.308 4.603 1.00 0.31 C ATOM 819 CD1 ILE A 53 -8.637 -6.782 3.670 1.00 1.14 C ATOM 0 H ILE A 53 -8.413 -3.897 2.226 1.00 0.20 H new ATOM 0 HA ILE A 53 -7.324 -3.318 4.966 1.00 0.19 H new ATOM 0 HB ILE A 53 -6.703 -5.465 2.882 1.00 0.21 H new ATOM 0 HG12 ILE A 53 -7.388 -6.561 5.420 1.00 0.36 H new ATOM 0 HG13 ILE A 53 -8.528 -5.250 5.191 1.00 0.36 H new ATOM 0 HG21 ILE A 53 -5.141 -6.364 4.587 1.00 0.31 H new ATOM 0 HG22 ILE A 53 -4.652 -4.731 4.076 1.00 0.31 H new ATOM 0 HG23 ILE A 53 -5.477 -4.965 5.636 1.00 0.31 H new ATOM 0 HD11 ILE A 53 -9.399 -7.352 4.201 1.00 1.14 H new ATOM 0 HD12 ILE A 53 -9.114 -6.137 2.932 1.00 1.14 H new ATOM 0 HD13 ILE A 53 -7.957 -7.468 3.166 1.00 1.14 H new ATOM 831 N PHE A 54 -5.334 -2.091 4.233 1.00 0.18 N ATOM 832 CA PHE A 54 -4.223 -1.205 3.785 1.00 0.17 C ATOM 833 C PHE A 54 -2.884 -1.689 4.352 1.00 0.17 C ATOM 834 O PHE A 54 -2.818 -2.194 5.455 1.00 0.23 O ATOM 835 CB PHE A 54 -4.512 0.206 4.280 1.00 0.19 C ATOM 836 CG PHE A 54 -5.842 0.670 3.687 1.00 0.19 C ATOM 837 CD1 PHE A 54 -5.882 1.297 2.457 1.00 0.22 C ATOM 838 CD2 PHE A 54 -7.024 0.464 4.375 1.00 0.20 C ATOM 839 CE1 PHE A 54 -7.084 1.712 1.922 1.00 0.24 C ATOM 840 CE2 PHE A 54 -8.227 0.880 3.838 1.00 0.22 C ATOM 841 CZ PHE A 54 -8.255 1.504 2.613 1.00 0.24 C ATOM 0 H PHE A 54 -5.494 -2.110 5.240 1.00 0.18 H new ATOM 0 HA PHE A 54 -4.156 -1.222 2.697 1.00 0.17 H new ATOM 0 HB2 PHE A 54 -4.557 0.223 5.369 1.00 0.19 H new ATOM 0 HB3 PHE A 54 -3.710 0.882 3.984 1.00 0.19 H new ATOM 0 HD1 PHE A 54 -4.966 1.464 1.910 1.00 0.22 H new ATOM 0 HD2 PHE A 54 -7.006 -0.025 5.338 1.00 0.20 H new ATOM 0 HE1 PHE A 54 -7.106 2.201 0.959 1.00 0.24 H new ATOM 0 HE2 PHE A 54 -9.146 0.715 4.381 1.00 0.22 H new ATOM 0 HZ PHE A 54 -9.195 1.830 2.194 1.00 0.24 H new ATOM 851 N LEU A 55 -1.851 -1.533 3.565 1.00 0.20 N ATOM 852 CA LEU A 55 -0.504 -1.963 4.003 1.00 0.20 C ATOM 853 C LEU A 55 0.480 -0.799 3.861 1.00 0.16 C ATOM 854 O LEU A 55 0.189 0.195 3.223 1.00 0.24 O ATOM 855 CB LEU A 55 -0.035 -3.120 3.117 1.00 0.25 C ATOM 856 CG LEU A 55 -1.049 -4.279 3.157 1.00 0.41 C ATOM 857 CD1 LEU A 55 -2.159 -4.086 2.116 1.00 0.67 C ATOM 858 CD2 LEU A 55 -0.322 -5.561 2.802 1.00 0.44 C ATOM 0 H LEU A 55 -1.890 -1.122 2.632 1.00 0.20 H new ATOM 0 HA LEU A 55 -0.546 -2.281 5.045 1.00 0.20 H new ATOM 0 HB2 LEU A 55 0.088 -2.773 2.091 1.00 0.25 H new ATOM 0 HB3 LEU A 55 0.940 -3.471 3.454 1.00 0.25 H new ATOM 0 HG LEU A 55 -1.489 -4.314 4.154 1.00 0.41 H new ATOM 0 HD11 LEU A 55 -2.858 -4.921 2.170 1.00 0.67 H new ATOM 0 HD12 LEU A 55 -2.689 -3.155 2.318 1.00 0.67 H new ATOM 0 HD13 LEU A 55 -1.720 -4.045 1.119 1.00 0.67 H new ATOM 0 HD21 LEU A 55 -1.023 -6.395 2.825 1.00 0.44 H new ATOM 0 HD22 LEU A 55 0.105 -5.473 1.803 1.00 0.44 H new ATOM 0 HD23 LEU A 55 0.476 -5.738 3.523 1.00 0.44 H new ATOM 870 N GLU A 56 1.628 -0.961 4.440 1.00 0.23 N ATOM 871 CA GLU A 56 2.654 0.120 4.363 1.00 0.20 C ATOM 872 C GLU A 56 4.051 -0.505 4.327 1.00 0.18 C ATOM 873 O GLU A 56 4.525 -1.017 5.322 1.00 0.22 O ATOM 874 CB GLU A 56 2.530 1.015 5.594 1.00 0.27 C ATOM 875 CG GLU A 56 3.204 2.357 5.308 1.00 0.58 C ATOM 876 CD GLU A 56 3.555 3.039 6.631 1.00 1.19 C ATOM 877 OE1 GLU A 56 2.893 2.710 7.602 1.00 1.77 O ATOM 878 OE2 GLU A 56 4.464 3.852 6.596 1.00 1.90 O ATOM 0 H GLU A 56 1.906 -1.791 4.964 1.00 0.23 H new ATOM 0 HA GLU A 56 2.498 0.711 3.461 1.00 0.20 H new ATOM 0 HB2 GLU A 56 1.480 1.167 5.844 1.00 0.27 H new ATOM 0 HB3 GLU A 56 2.996 0.536 6.455 1.00 0.27 H new ATOM 0 HG2 GLU A 56 4.105 2.205 4.714 1.00 0.58 H new ATOM 0 HG3 GLU A 56 2.540 2.993 4.723 1.00 0.58 H new ATOM 885 N VAL A 57 4.683 -0.450 3.186 1.00 0.17 N ATOM 886 CA VAL A 57 6.046 -1.057 3.078 1.00 0.17 C ATOM 887 C VAL A 57 7.132 0.009 3.223 1.00 0.17 C ATOM 888 O VAL A 57 7.016 1.101 2.695 1.00 0.19 O ATOM 889 CB VAL A 57 6.196 -1.734 1.717 1.00 0.16 C ATOM 890 CG1 VAL A 57 7.590 -2.361 1.621 1.00 0.23 C ATOM 891 CG2 VAL A 57 5.144 -2.831 1.575 1.00 0.23 C ATOM 0 H VAL A 57 4.324 -0.019 2.334 1.00 0.17 H new ATOM 0 HA VAL A 57 6.159 -1.787 3.879 1.00 0.17 H new ATOM 0 HB VAL A 57 6.064 -0.997 0.925 1.00 0.16 H new ATOM 0 HG11 VAL A 57 7.705 -2.846 0.652 1.00 0.23 H new ATOM 0 HG12 VAL A 57 8.347 -1.584 1.729 1.00 0.23 H new ATOM 0 HG13 VAL A 57 7.712 -3.099 2.413 1.00 0.23 H new ATOM 0 HG21 VAL A 57 5.251 -3.314 0.604 1.00 0.23 H new ATOM 0 HG22 VAL A 57 5.280 -3.570 2.365 1.00 0.23 H new ATOM 0 HG23 VAL A 57 4.149 -2.393 1.655 1.00 0.23 H new ATOM 901 N ASP A 58 8.166 -0.339 3.939 1.00 0.19 N ATOM 902 CA ASP A 58 9.290 0.618 4.126 1.00 0.22 C ATOM 903 C ASP A 58 10.422 0.263 3.159 1.00 0.21 C ATOM 904 O ASP A 58 11.074 -0.751 3.307 1.00 0.23 O ATOM 905 CB ASP A 58 9.796 0.524 5.564 1.00 0.26 C ATOM 906 CG ASP A 58 10.730 1.702 5.852 1.00 0.29 C ATOM 907 OD1 ASP A 58 10.886 2.502 4.945 1.00 1.10 O ATOM 908 OD2 ASP A 58 11.235 1.733 6.962 1.00 1.12 O ATOM 0 H ASP A 58 8.280 -1.241 4.401 1.00 0.19 H new ATOM 0 HA ASP A 58 8.948 1.634 3.926 1.00 0.22 H new ATOM 0 HB2 ASP A 58 8.956 0.534 6.258 1.00 0.26 H new ATOM 0 HB3 ASP A 58 10.323 -0.418 5.715 1.00 0.26 H new ATOM 913 N VAL A 59 10.632 1.106 2.189 1.00 0.23 N ATOM 914 CA VAL A 59 11.711 0.828 1.193 1.00 0.25 C ATOM 915 C VAL A 59 13.100 0.946 1.840 1.00 0.28 C ATOM 916 O VAL A 59 14.093 1.072 1.151 1.00 0.45 O ATOM 917 CB VAL A 59 11.597 1.833 0.050 1.00 0.25 C ATOM 918 CG1 VAL A 59 10.237 1.670 -0.631 1.00 0.26 C ATOM 919 CG2 VAL A 59 11.708 3.248 0.616 1.00 0.24 C ATOM 0 H VAL A 59 10.110 1.970 2.040 1.00 0.23 H new ATOM 0 HA VAL A 59 11.593 -0.189 0.819 1.00 0.25 H new ATOM 0 HB VAL A 59 12.393 1.660 -0.674 1.00 0.25 H new ATOM 0 HG11 VAL A 59 10.151 2.386 -1.448 1.00 0.26 H new ATOM 0 HG12 VAL A 59 10.146 0.658 -1.025 1.00 0.26 H new ATOM 0 HG13 VAL A 59 9.443 1.850 0.094 1.00 0.26 H new ATOM 0 HG21 VAL A 59 11.627 3.972 -0.195 1.00 0.24 H new ATOM 0 HG22 VAL A 59 10.905 3.417 1.334 1.00 0.24 H new ATOM 0 HG23 VAL A 59 12.671 3.366 1.114 1.00 0.24 H new ATOM 929 N ASP A 60 13.138 0.902 3.150 1.00 0.29 N ATOM 930 CA ASP A 60 14.451 1.008 3.858 1.00 0.31 C ATOM 931 C ASP A 60 14.853 -0.353 4.439 1.00 0.33 C ATOM 932 O ASP A 60 15.983 -0.777 4.300 1.00 0.40 O ATOM 933 CB ASP A 60 14.322 2.024 4.992 1.00 0.36 C ATOM 934 CG ASP A 60 15.713 2.350 5.539 1.00 0.48 C ATOM 935 OD1 ASP A 60 16.193 1.541 6.316 1.00 0.92 O ATOM 936 OD2 ASP A 60 16.217 3.390 5.149 1.00 1.30 O ATOM 0 H ASP A 60 12.323 0.798 3.755 1.00 0.29 H new ATOM 0 HA ASP A 60 15.216 1.329 3.151 1.00 0.31 H new ATOM 0 HB2 ASP A 60 13.839 2.932 4.629 1.00 0.36 H new ATOM 0 HB3 ASP A 60 13.691 1.623 5.785 1.00 0.36 H new ATOM 941 N ASP A 61 13.912 -1.007 5.076 1.00 0.34 N ATOM 942 CA ASP A 61 14.213 -2.342 5.684 1.00 0.44 C ATOM 943 C ASP A 61 13.519 -3.461 4.898 1.00 0.42 C ATOM 944 O ASP A 61 13.695 -4.627 5.196 1.00 0.64 O ATOM 945 CB ASP A 61 13.711 -2.353 7.127 1.00 0.54 C ATOM 946 CG ASP A 61 13.848 -3.765 7.700 1.00 0.79 C ATOM 947 OD1 ASP A 61 14.978 -4.124 7.989 1.00 1.32 O ATOM 948 OD2 ASP A 61 12.816 -4.405 7.816 1.00 1.30 O ATOM 0 H ASP A 61 12.955 -0.677 5.201 1.00 0.34 H new ATOM 0 HA ASP A 61 15.289 -2.511 5.656 1.00 0.44 H new ATOM 0 HB2 ASP A 61 14.284 -1.647 7.729 1.00 0.54 H new ATOM 0 HB3 ASP A 61 12.670 -2.033 7.164 1.00 0.54 H new ATOM 953 N CYS A 62 12.745 -3.080 3.911 1.00 0.28 N ATOM 954 CA CYS A 62 12.022 -4.106 3.091 1.00 0.27 C ATOM 955 C CYS A 62 12.328 -3.909 1.601 1.00 0.27 C ATOM 956 O CYS A 62 11.446 -3.979 0.767 1.00 0.35 O ATOM 957 CB CYS A 62 10.518 -3.959 3.328 1.00 0.29 C ATOM 958 SG CYS A 62 9.988 -3.341 4.945 1.00 0.40 S ATOM 0 H CYS A 62 12.582 -2.111 3.638 1.00 0.28 H new ATOM 0 HA CYS A 62 12.352 -5.102 3.386 1.00 0.27 H new ATOM 0 HB2 CYS A 62 10.120 -3.290 2.565 1.00 0.29 H new ATOM 0 HB3 CYS A 62 10.055 -4.933 3.171 1.00 0.29 H new ATOM 0 HG CYS A 62 8.937 -3.997 5.337 1.00 0.40 H new ATOM 964 N GLN A 63 13.576 -3.672 1.296 1.00 0.30 N ATOM 965 CA GLN A 63 13.952 -3.469 -0.131 1.00 0.34 C ATOM 966 C GLN A 63 13.634 -4.728 -0.941 1.00 0.32 C ATOM 967 O GLN A 63 13.486 -4.676 -2.145 1.00 0.35 O ATOM 968 CB GLN A 63 15.456 -3.188 -0.243 1.00 0.41 C ATOM 969 CG GLN A 63 15.898 -2.208 0.848 1.00 0.95 C ATOM 970 CD GLN A 63 17.410 -1.992 0.733 1.00 1.43 C ATOM 971 OE1 GLN A 63 18.083 -2.643 -0.041 1.00 1.99 O ATOM 972 NE2 GLN A 63 17.983 -1.095 1.482 1.00 1.97 N ATOM 0 H GLN A 63 14.343 -3.611 1.966 1.00 0.30 H new ATOM 0 HA GLN A 63 13.385 -2.623 -0.519 1.00 0.34 H new ATOM 0 HB2 GLN A 63 16.014 -4.120 -0.152 1.00 0.41 H new ATOM 0 HB3 GLN A 63 15.683 -2.775 -1.226 1.00 0.41 H new ATOM 0 HG2 GLN A 63 15.372 -1.260 0.739 1.00 0.95 H new ATOM 0 HG3 GLN A 63 15.647 -2.601 1.833 1.00 0.95 H new ATOM 0 HE21 GLN A 63 17.426 -0.544 2.135 1.00 1.97 H new ATOM 0 HE22 GLN A 63 18.989 -0.943 1.416 1.00 1.97 H new ATOM 981 N ASP A 64 13.534 -5.832 -0.259 1.00 0.31 N ATOM 982 CA ASP A 64 13.249 -7.109 -0.965 1.00 0.34 C ATOM 983 C ASP A 64 11.877 -7.059 -1.624 1.00 0.32 C ATOM 984 O ASP A 64 11.701 -7.498 -2.742 1.00 0.45 O ATOM 985 CB ASP A 64 13.299 -8.263 0.038 1.00 0.40 C ATOM 986 CG ASP A 64 12.672 -7.819 1.361 1.00 0.37 C ATOM 987 OD1 ASP A 64 13.311 -7.018 2.022 1.00 1.09 O ATOM 988 OD2 ASP A 64 11.590 -8.310 1.637 1.00 1.05 O ATOM 0 H ASP A 64 13.637 -5.906 0.753 1.00 0.31 H new ATOM 0 HA ASP A 64 14.000 -7.262 -1.740 1.00 0.34 H new ATOM 0 HB2 ASP A 64 12.764 -9.126 -0.358 1.00 0.40 H new ATOM 0 HB3 ASP A 64 14.331 -8.574 0.199 1.00 0.40 H new ATOM 993 N VAL A 65 10.939 -6.525 -0.916 1.00 0.28 N ATOM 994 CA VAL A 65 9.567 -6.425 -1.469 1.00 0.25 C ATOM 995 C VAL A 65 9.501 -5.324 -2.520 1.00 0.23 C ATOM 996 O VAL A 65 8.919 -5.495 -3.572 1.00 0.27 O ATOM 997 CB VAL A 65 8.606 -6.111 -0.339 1.00 0.23 C ATOM 998 CG1 VAL A 65 7.172 -6.397 -0.794 1.00 0.26 C ATOM 999 CG2 VAL A 65 8.941 -6.989 0.868 1.00 0.26 C ATOM 0 H VAL A 65 11.058 -6.151 0.025 1.00 0.28 H new ATOM 0 HA VAL A 65 9.295 -7.370 -1.939 1.00 0.25 H new ATOM 0 HB VAL A 65 8.697 -5.060 -0.064 1.00 0.23 H new ATOM 0 HG11 VAL A 65 6.481 -6.171 0.018 1.00 0.26 H new ATOM 0 HG12 VAL A 65 6.933 -5.775 -1.657 1.00 0.26 H new ATOM 0 HG13 VAL A 65 7.080 -7.448 -1.067 1.00 0.26 H new ATOM 0 HG21 VAL A 65 8.252 -6.766 1.683 1.00 0.26 H new ATOM 0 HG22 VAL A 65 8.848 -8.039 0.591 1.00 0.26 H new ATOM 0 HG23 VAL A 65 9.962 -6.788 1.192 1.00 0.26 H new ATOM 1009 N ALA A 66 10.098 -4.217 -2.211 1.00 0.22 N ATOM 1010 CA ALA A 66 10.091 -3.090 -3.176 1.00 0.23 C ATOM 1011 C ALA A 66 10.766 -3.526 -4.469 1.00 0.26 C ATOM 1012 O ALA A 66 10.224 -3.376 -5.545 1.00 0.30 O ATOM 1013 CB ALA A 66 10.847 -1.906 -2.576 1.00 0.25 C ATOM 0 H ALA A 66 10.590 -4.041 -1.335 1.00 0.22 H new ATOM 0 HA ALA A 66 9.063 -2.795 -3.387 1.00 0.23 H new ATOM 0 HB1 ALA A 66 10.844 -1.076 -3.283 1.00 0.25 H new ATOM 0 HB2 ALA A 66 10.362 -1.596 -1.650 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.876 -2.200 -2.366 1.00 0.25 H new ATOM 1019 N SER A 67 11.935 -4.062 -4.330 1.00 0.28 N ATOM 1020 CA SER A 67 12.673 -4.529 -5.531 1.00 0.33 C ATOM 1021 C SER A 67 11.860 -5.606 -6.245 1.00 0.34 C ATOM 1022 O SER A 67 12.148 -5.969 -7.369 1.00 0.41 O ATOM 1023 CB SER A 67 14.023 -5.104 -5.102 1.00 0.38 C ATOM 1024 OG SER A 67 14.835 -4.987 -6.259 1.00 1.18 O ATOM 0 H SER A 67 12.415 -4.199 -3.440 1.00 0.28 H new ATOM 0 HA SER A 67 12.833 -3.691 -6.210 1.00 0.33 H new ATOM 0 HB2 SER A 67 14.443 -4.550 -4.263 1.00 0.38 H new ATOM 0 HB3 SER A 67 13.931 -6.142 -4.784 1.00 0.38 H new ATOM 0 HG SER A 67 14.289 -5.138 -7.059 1.00 1.18 H new ATOM 1030 N GLU A 68 10.859 -6.095 -5.569 1.00 0.31 N ATOM 1031 CA GLU A 68 10.005 -7.144 -6.175 1.00 0.35 C ATOM 1032 C GLU A 68 8.990 -6.501 -7.114 1.00 0.35 C ATOM 1033 O GLU A 68 8.601 -7.077 -8.111 1.00 0.42 O ATOM 1034 CB GLU A 68 9.271 -7.898 -5.062 1.00 0.38 C ATOM 1035 CG GLU A 68 8.982 -9.328 -5.522 1.00 0.49 C ATOM 1036 CD GLU A 68 7.685 -9.816 -4.876 1.00 1.39 C ATOM 1037 OE1 GLU A 68 7.560 -9.602 -3.682 1.00 2.17 O ATOM 1038 OE2 GLU A 68 6.891 -10.375 -5.615 1.00 2.10 O ATOM 0 H GLU A 68 10.598 -5.812 -4.624 1.00 0.31 H new ATOM 0 HA GLU A 68 10.625 -7.839 -6.742 1.00 0.35 H new ATOM 0 HB2 GLU A 68 9.877 -7.911 -4.156 1.00 0.38 H new ATOM 0 HB3 GLU A 68 8.340 -7.388 -4.815 1.00 0.38 H new ATOM 0 HG2 GLU A 68 8.896 -9.362 -6.608 1.00 0.49 H new ATOM 0 HG3 GLU A 68 9.808 -9.984 -5.247 1.00 0.49 H new ATOM 1045 N CYS A 69 8.586 -5.319 -6.767 1.00 0.32 N ATOM 1046 CA CYS A 69 7.598 -4.596 -7.614 1.00 0.35 C ATOM 1047 C CYS A 69 8.335 -3.695 -8.609 1.00 0.37 C ATOM 1048 O CYS A 69 7.727 -3.004 -9.402 1.00 0.45 O ATOM 1049 CB CYS A 69 6.699 -3.753 -6.714 1.00 0.33 C ATOM 1050 SG CYS A 69 5.581 -4.638 -5.600 1.00 0.38 S ATOM 0 H CYS A 69 8.895 -4.818 -5.934 1.00 0.32 H new ATOM 0 HA CYS A 69 6.991 -5.311 -8.170 1.00 0.35 H new ATOM 0 HB2 CYS A 69 7.336 -3.107 -6.110 1.00 0.33 H new ATOM 0 HB3 CYS A 69 6.098 -3.103 -7.350 1.00 0.33 H new ATOM 0 HG CYS A 69 4.378 -4.161 -5.724 1.00 0.38 H new ATOM 1056 N GLU A 70 9.639 -3.728 -8.538 1.00 0.35 N ATOM 1057 CA GLU A 70 10.461 -2.901 -9.471 1.00 0.41 C ATOM 1058 C GLU A 70 10.105 -1.403 -9.342 1.00 0.40 C ATOM 1059 O GLU A 70 9.966 -0.698 -10.323 1.00 0.45 O ATOM 1060 CB GLU A 70 10.231 -3.401 -10.914 1.00 0.50 C ATOM 1061 CG GLU A 70 11.515 -4.056 -11.428 1.00 1.21 C ATOM 1062 CD GLU A 70 11.311 -4.495 -12.879 1.00 1.58 C ATOM 1063 OE1 GLU A 70 10.802 -3.676 -13.626 1.00 2.11 O ATOM 1064 OE2 GLU A 70 11.678 -5.624 -13.159 1.00 1.99 O ATOM 0 H GLU A 70 10.171 -4.291 -7.875 1.00 0.35 H new ATOM 0 HA GLU A 70 11.515 -3.005 -9.215 1.00 0.41 H new ATOM 0 HB2 GLU A 70 9.409 -4.116 -10.938 1.00 0.50 H new ATOM 0 HB3 GLU A 70 9.949 -2.569 -11.560 1.00 0.50 H new ATOM 0 HG2 GLU A 70 12.347 -3.355 -11.361 1.00 1.21 H new ATOM 0 HG3 GLU A 70 11.772 -4.915 -10.808 1.00 1.21 H new ATOM 1071 N VAL A 71 9.977 -0.944 -8.128 1.00 0.33 N ATOM 1072 CA VAL A 71 9.651 0.504 -7.938 1.00 0.32 C ATOM 1073 C VAL A 71 10.914 1.341 -8.120 1.00 0.47 C ATOM 1074 O VAL A 71 12.013 0.864 -7.915 1.00 0.65 O ATOM 1075 CB VAL A 71 9.097 0.742 -6.533 1.00 0.30 C ATOM 1076 CG1 VAL A 71 8.041 1.847 -6.583 1.00 0.38 C ATOM 1077 CG2 VAL A 71 8.451 -0.541 -6.018 1.00 0.45 C ATOM 0 H VAL A 71 10.081 -1.492 -7.274 1.00 0.33 H new ATOM 0 HA VAL A 71 8.902 0.793 -8.675 1.00 0.32 H new ATOM 0 HB VAL A 71 9.909 1.038 -5.869 1.00 0.30 H new ATOM 0 HG11 VAL A 71 7.645 2.018 -5.582 1.00 0.38 H new ATOM 0 HG12 VAL A 71 8.493 2.766 -6.956 1.00 0.38 H new ATOM 0 HG13 VAL A 71 7.231 1.546 -7.247 1.00 0.38 H new ATOM 0 HG21 VAL A 71 8.056 -0.373 -5.016 1.00 0.45 H new ATOM 0 HG22 VAL A 71 7.639 -0.832 -6.684 1.00 0.45 H new ATOM 0 HG23 VAL A 71 9.196 -1.336 -5.985 1.00 0.45 H new ATOM 1087 N LYS A 72 10.735 2.570 -8.501 1.00 0.49 N ATOM 1088 CA LYS A 72 11.917 3.453 -8.698 1.00 0.68 C ATOM 1089 C LYS A 72 11.568 4.886 -8.301 1.00 0.56 C ATOM 1090 O LYS A 72 12.199 5.827 -8.740 1.00 0.62 O ATOM 1091 CB LYS A 72 12.334 3.413 -10.165 1.00 0.97 C ATOM 1092 CG LYS A 72 13.805 3.005 -10.253 1.00 1.51 C ATOM 1093 CD LYS A 72 14.221 2.939 -11.722 1.00 1.88 C ATOM 1094 CE LYS A 72 15.699 2.556 -11.807 1.00 2.45 C ATOM 1095 NZ LYS A 72 16.451 3.557 -12.615 1.00 3.10 N ATOM 0 H LYS A 72 9.829 3.002 -8.684 1.00 0.49 H new ATOM 0 HA LYS A 72 12.739 3.103 -8.073 1.00 0.68 H new ATOM 0 HB2 LYS A 72 11.713 2.705 -10.714 1.00 0.97 H new ATOM 0 HB3 LYS A 72 12.186 4.390 -10.625 1.00 0.97 H new ATOM 0 HG2 LYS A 72 14.427 3.723 -9.719 1.00 1.51 H new ATOM 0 HG3 LYS A 72 13.955 2.036 -9.776 1.00 1.51 H new ATOM 0 HD2 LYS A 72 13.612 2.207 -12.253 1.00 1.88 H new ATOM 0 HD3 LYS A 72 14.054 3.902 -12.204 1.00 1.88 H new ATOM 0 HE2 LYS A 72 16.123 2.496 -10.805 1.00 2.45 H new ATOM 0 HE3 LYS A 72 15.800 1.568 -12.256 1.00 2.45 H new ATOM 0 HZ1 LYS A 72 17.453 3.282 -12.663 1.00 3.10 H new ATOM 0 HZ2 LYS A 72 16.056 3.595 -13.576 1.00 3.10 H new ATOM 0 HZ3 LYS A 72 16.370 4.494 -12.170 1.00 3.10 H new ATOM 1109 N CYS A 73 10.569 5.020 -7.475 1.00 0.41 N ATOM 1110 CA CYS A 73 10.158 6.388 -7.040 1.00 0.36 C ATOM 1111 C CYS A 73 9.037 6.296 -6.010 1.00 0.32 C ATOM 1112 O CYS A 73 8.025 5.671 -6.248 1.00 0.41 O ATOM 1113 CB CYS A 73 9.671 7.177 -8.255 1.00 0.45 C ATOM 1114 SG CYS A 73 8.544 6.338 -9.395 1.00 0.59 S ATOM 0 H CYS A 73 10.023 4.252 -7.084 1.00 0.41 H new ATOM 0 HA CYS A 73 11.012 6.893 -6.589 1.00 0.36 H new ATOM 0 HB2 CYS A 73 9.176 8.079 -7.895 1.00 0.45 H new ATOM 0 HB3 CYS A 73 10.546 7.498 -8.821 1.00 0.45 H new ATOM 0 HG CYS A 73 8.228 7.144 -10.364 1.00 0.59 H new ATOM 1120 N THR A 74 9.246 6.930 -4.889 1.00 0.27 N ATOM 1121 CA THR A 74 8.215 6.896 -3.811 1.00 0.23 C ATOM 1122 C THR A 74 7.556 8.289 -3.678 1.00 0.23 C ATOM 1123 O THR A 74 8.161 9.287 -4.018 1.00 0.26 O ATOM 1124 CB THR A 74 8.921 6.526 -2.502 1.00 0.24 C ATOM 1125 OG1 THR A 74 10.109 7.311 -2.501 1.00 0.29 O ATOM 1126 CG2 THR A 74 9.400 5.079 -2.527 1.00 0.27 C ATOM 0 H THR A 74 10.084 7.469 -4.672 1.00 0.27 H new ATOM 0 HA THR A 74 7.439 6.167 -4.044 1.00 0.23 H new ATOM 0 HB THR A 74 8.252 6.678 -1.655 1.00 0.24 H new ATOM 0 HG1 THR A 74 10.620 7.130 -1.685 1.00 0.29 H new ATOM 0 HG21 THR A 74 9.897 4.844 -1.586 1.00 0.27 H new ATOM 0 HG22 THR A 74 8.546 4.415 -2.662 1.00 0.27 H new ATOM 0 HG23 THR A 74 10.100 4.942 -3.351 1.00 0.27 H new ATOM 1134 N PRO A 75 6.322 8.338 -3.183 1.00 0.22 N ATOM 1135 CA PRO A 75 5.532 7.153 -2.770 1.00 0.19 C ATOM 1136 C PRO A 75 4.920 6.441 -3.989 1.00 0.19 C ATOM 1137 O PRO A 75 4.591 7.074 -4.976 1.00 0.22 O ATOM 1138 CB PRO A 75 4.407 7.725 -1.903 1.00 0.21 C ATOM 1139 CG PRO A 75 4.412 9.272 -2.104 1.00 0.24 C ATOM 1140 CD PRO A 75 5.650 9.620 -2.952 1.00 0.25 C ATOM 0 HA PRO A 75 6.150 6.421 -2.250 1.00 0.19 H new ATOM 0 HB2 PRO A 75 3.445 7.302 -2.193 1.00 0.21 H new ATOM 0 HB3 PRO A 75 4.563 7.473 -0.854 1.00 0.21 H new ATOM 0 HG2 PRO A 75 3.500 9.597 -2.604 1.00 0.24 H new ATOM 0 HG3 PRO A 75 4.448 9.784 -1.143 1.00 0.24 H new ATOM 0 HD2 PRO A 75 5.365 10.092 -3.892 1.00 0.25 H new ATOM 0 HD3 PRO A 75 6.303 10.320 -2.430 1.00 0.25 H new ATOM 1148 N THR A 76 4.784 5.138 -3.888 1.00 0.18 N ATOM 1149 CA THR A 76 4.179 4.363 -5.014 1.00 0.18 C ATOM 1150 C THR A 76 3.020 3.519 -4.482 1.00 0.17 C ATOM 1151 O THR A 76 3.198 2.700 -3.601 1.00 0.22 O ATOM 1152 CB THR A 76 5.241 3.455 -5.644 1.00 0.19 C ATOM 1153 OG1 THR A 76 6.089 4.340 -6.365 1.00 0.24 O ATOM 1154 CG2 THR A 76 4.639 2.531 -6.703 1.00 0.29 C ATOM 0 H THR A 76 5.065 4.583 -3.079 1.00 0.18 H new ATOM 0 HA THR A 76 3.806 5.051 -5.773 1.00 0.18 H new ATOM 0 HB THR A 76 5.722 2.856 -4.870 1.00 0.19 H new ATOM 0 HG1 THR A 76 6.784 4.686 -5.767 1.00 0.24 H new ATOM 0 HG21 THR A 76 5.423 1.903 -7.126 1.00 0.29 H new ATOM 0 HG22 THR A 76 3.877 1.900 -6.245 1.00 0.29 H new ATOM 0 HG23 THR A 76 4.187 3.130 -7.494 1.00 0.29 H new ATOM 1162 N PHE A 77 1.856 3.737 -5.028 1.00 0.17 N ATOM 1163 CA PHE A 77 0.670 2.970 -4.551 1.00 0.16 C ATOM 1164 C PHE A 77 0.399 1.774 -5.457 1.00 0.17 C ATOM 1165 O PHE A 77 0.425 1.892 -6.667 1.00 0.20 O ATOM 1166 CB PHE A 77 -0.543 3.890 -4.563 1.00 0.16 C ATOM 1167 CG PHE A 77 -0.443 4.848 -3.384 1.00 0.16 C ATOM 1168 CD1 PHE A 77 -0.570 4.375 -2.094 1.00 0.16 C ATOM 1169 CD2 PHE A 77 -0.224 6.199 -3.590 1.00 0.21 C ATOM 1170 CE1 PHE A 77 -0.480 5.241 -1.022 1.00 0.17 C ATOM 1171 CE2 PHE A 77 -0.133 7.061 -2.518 1.00 0.22 C ATOM 1172 CZ PHE A 77 -0.261 6.582 -1.235 1.00 0.19 C ATOM 0 H PHE A 77 1.675 4.406 -5.776 1.00 0.17 H new ATOM 0 HA PHE A 77 0.866 2.604 -3.543 1.00 0.16 H new ATOM 0 HB2 PHE A 77 -0.585 4.447 -5.499 1.00 0.16 H new ATOM 0 HB3 PHE A 77 -1.461 3.306 -4.498 1.00 0.16 H new ATOM 0 HD1 PHE A 77 -0.741 3.323 -1.922 1.00 0.16 H new ATOM 0 HD2 PHE A 77 -0.124 6.580 -4.596 1.00 0.21 H new ATOM 0 HE1 PHE A 77 -0.582 4.865 -0.015 1.00 0.17 H new ATOM 0 HE2 PHE A 77 0.039 8.114 -2.686 1.00 0.22 H new ATOM 0 HZ PHE A 77 -0.190 7.258 -0.396 1.00 0.19 H new ATOM 1182 N GLN A 78 0.149 0.644 -4.845 1.00 0.16 N ATOM 1183 CA GLN A 78 -0.142 -0.587 -5.649 1.00 0.18 C ATOM 1184 C GLN A 78 -1.476 -1.208 -5.220 1.00 0.15 C ATOM 1185 O GLN A 78 -1.910 -1.041 -4.098 1.00 0.16 O ATOM 1186 CB GLN A 78 0.981 -1.589 -5.439 1.00 0.21 C ATOM 1187 CG GLN A 78 1.981 -1.463 -6.590 1.00 0.55 C ATOM 1188 CD GLN A 78 3.248 -2.241 -6.245 1.00 0.85 C ATOM 1189 OE1 GLN A 78 3.207 -3.422 -5.976 1.00 1.82 O ATOM 1190 NE2 GLN A 78 4.395 -1.618 -6.245 1.00 0.89 N ATOM 0 H GLN A 78 0.133 0.518 -3.833 1.00 0.16 H new ATOM 0 HA GLN A 78 -0.211 -0.318 -6.703 1.00 0.18 H new ATOM 0 HB2 GLN A 78 1.478 -1.404 -4.487 1.00 0.21 H new ATOM 0 HB3 GLN A 78 0.580 -2.602 -5.398 1.00 0.21 H new ATOM 0 HG2 GLN A 78 1.543 -1.848 -7.511 1.00 0.55 H new ATOM 0 HG3 GLN A 78 2.221 -0.414 -6.765 1.00 0.55 H new ATOM 0 HE21 GLN A 78 4.436 -0.624 -6.471 1.00 0.89 H new ATOM 0 HE22 GLN A 78 5.251 -2.125 -6.019 1.00 0.89 H new ATOM 1199 N PHE A 79 -2.093 -1.915 -6.137 1.00 0.16 N ATOM 1200 CA PHE A 79 -3.411 -2.558 -5.834 1.00 0.16 C ATOM 1201 C PHE A 79 -3.299 -4.081 -5.996 1.00 0.16 C ATOM 1202 O PHE A 79 -3.059 -4.564 -7.085 1.00 0.20 O ATOM 1203 CB PHE A 79 -4.457 -2.032 -6.828 1.00 0.17 C ATOM 1204 CG PHE A 79 -4.807 -0.570 -6.506 1.00 0.18 C ATOM 1205 CD1 PHE A 79 -3.852 0.430 -6.615 1.00 0.17 C ATOM 1206 CD2 PHE A 79 -6.088 -0.228 -6.104 1.00 0.21 C ATOM 1207 CE1 PHE A 79 -4.175 1.739 -6.324 1.00 0.19 C ATOM 1208 CE2 PHE A 79 -6.404 1.082 -5.815 1.00 0.23 C ATOM 1209 CZ PHE A 79 -5.451 2.062 -5.925 1.00 0.21 C ATOM 0 H PHE A 79 -1.741 -2.074 -7.081 1.00 0.16 H new ATOM 0 HA PHE A 79 -3.703 -2.322 -4.810 1.00 0.16 H new ATOM 0 HB2 PHE A 79 -4.072 -2.106 -7.845 1.00 0.17 H new ATOM 0 HB3 PHE A 79 -5.355 -2.647 -6.781 1.00 0.17 H new ATOM 0 HD1 PHE A 79 -2.849 0.182 -6.930 1.00 0.17 H new ATOM 0 HD2 PHE A 79 -6.845 -0.994 -6.016 1.00 0.21 H new ATOM 0 HE1 PHE A 79 -3.425 2.511 -6.410 1.00 0.19 H new ATOM 0 HE2 PHE A 79 -7.405 1.338 -5.501 1.00 0.23 H new ATOM 0 HZ PHE A 79 -5.702 3.088 -5.698 1.00 0.21 H new ATOM 1219 N PHE A 80 -3.477 -4.806 -4.910 1.00 0.17 N ATOM 1220 CA PHE A 80 -3.387 -6.302 -5.001 1.00 0.18 C ATOM 1221 C PHE A 80 -4.747 -6.930 -4.687 1.00 0.19 C ATOM 1222 O PHE A 80 -5.484 -6.440 -3.854 1.00 0.21 O ATOM 1223 CB PHE A 80 -2.352 -6.804 -3.999 1.00 0.20 C ATOM 1224 CG PHE A 80 -0.949 -6.486 -4.517 1.00 0.20 C ATOM 1225 CD1 PHE A 80 -0.358 -7.276 -5.487 1.00 0.23 C ATOM 1226 CD2 PHE A 80 -0.253 -5.401 -4.020 1.00 0.21 C ATOM 1227 CE1 PHE A 80 0.910 -6.983 -5.948 1.00 0.25 C ATOM 1228 CE2 PHE A 80 1.014 -5.111 -4.482 1.00 0.23 C ATOM 1229 CZ PHE A 80 1.594 -5.903 -5.444 1.00 0.24 C ATOM 0 H PHE A 80 -3.677 -4.434 -3.982 1.00 0.17 H new ATOM 0 HA PHE A 80 -3.091 -6.584 -6.012 1.00 0.18 H new ATOM 0 HB2 PHE A 80 -2.509 -6.332 -3.029 1.00 0.20 H new ATOM 0 HB3 PHE A 80 -2.463 -7.878 -3.852 1.00 0.20 H new ATOM 0 HD1 PHE A 80 -0.891 -8.126 -5.886 1.00 0.23 H new ATOM 0 HD2 PHE A 80 -0.704 -4.775 -3.264 1.00 0.21 H new ATOM 0 HE1 PHE A 80 1.365 -7.604 -6.706 1.00 0.25 H new ATOM 0 HE2 PHE A 80 1.551 -4.261 -4.087 1.00 0.23 H new ATOM 0 HZ PHE A 80 2.587 -5.677 -5.804 1.00 0.24 H new ATOM 1239 N LYS A 81 -5.051 -8.000 -5.371 1.00 0.26 N ATOM 1240 CA LYS A 81 -6.354 -8.685 -5.131 1.00 0.29 C ATOM 1241 C LYS A 81 -6.154 -10.201 -5.170 1.00 0.33 C ATOM 1242 O LYS A 81 -5.614 -10.732 -6.120 1.00 0.37 O ATOM 1243 CB LYS A 81 -7.345 -8.262 -6.221 1.00 0.36 C ATOM 1244 CG LYS A 81 -8.782 -8.460 -5.723 1.00 0.50 C ATOM 1245 CD LYS A 81 -9.750 -7.878 -6.754 1.00 0.74 C ATOM 1246 CE LYS A 81 -11.163 -7.873 -6.170 1.00 0.95 C ATOM 1247 NZ LYS A 81 -12.125 -8.487 -7.128 1.00 1.87 N ATOM 0 H LYS A 81 -4.457 -8.428 -6.082 1.00 0.26 H new ATOM 0 HA LYS A 81 -6.744 -8.406 -4.152 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -7.183 -7.217 -6.487 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -7.179 -8.850 -7.124 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -8.985 -9.520 -5.572 1.00 0.50 H new ATOM 0 HG3 LYS A 81 -8.918 -7.969 -4.760 1.00 0.50 H new ATOM 0 HD2 LYS A 81 -9.450 -6.865 -7.021 1.00 0.74 H new ATOM 0 HD3 LYS A 81 -9.724 -8.469 -7.669 1.00 0.74 H new ATOM 0 HE2 LYS A 81 -11.176 -8.423 -5.229 1.00 0.95 H new ATOM 0 HE3 LYS A 81 -11.467 -6.850 -5.945 1.00 0.95 H new ATOM 0 HZ1 LYS A 81 -13.080 -8.476 -6.716 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 -12.124 -7.945 -8.016 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 -11.843 -9.469 -7.322 1.00 1.87 H new ATOM 1261 N LYS A 82 -6.602 -10.869 -4.141 1.00 0.43 N ATOM 1262 CA LYS A 82 -6.431 -12.354 -4.096 1.00 0.55 C ATOM 1263 C LYS A 82 -4.948 -12.705 -4.214 1.00 0.52 C ATOM 1264 O LYS A 82 -4.591 -13.851 -4.401 1.00 0.64 O ATOM 1265 CB LYS A 82 -7.200 -12.999 -5.256 1.00 0.63 C ATOM 1266 CG LYS A 82 -8.420 -13.731 -4.701 1.00 1.18 C ATOM 1267 CD LYS A 82 -9.236 -14.293 -5.865 1.00 1.46 C ATOM 1268 CE LYS A 82 -10.599 -14.756 -5.348 1.00 1.83 C ATOM 1269 NZ LYS A 82 -10.918 -16.116 -5.866 1.00 2.29 N ATOM 0 H LYS A 82 -7.075 -10.458 -3.336 1.00 0.43 H new ATOM 0 HA LYS A 82 -6.820 -12.730 -3.150 1.00 0.55 H new ATOM 0 HB2 LYS A 82 -7.512 -12.237 -5.970 1.00 0.63 H new ATOM 0 HB3 LYS A 82 -6.556 -13.695 -5.793 1.00 0.63 H new ATOM 0 HG2 LYS A 82 -8.106 -14.537 -4.038 1.00 1.18 H new ATOM 0 HG3 LYS A 82 -9.030 -13.050 -4.108 1.00 1.18 H new ATOM 0 HD2 LYS A 82 -9.365 -13.532 -6.635 1.00 1.46 H new ATOM 0 HD3 LYS A 82 -8.707 -15.127 -6.327 1.00 1.46 H new ATOM 0 HE2 LYS A 82 -10.597 -14.767 -4.258 1.00 1.83 H new ATOM 0 HE3 LYS A 82 -11.371 -14.052 -5.658 1.00 1.83 H new ATOM 0 HZ1 LYS A 82 -11.846 -16.416 -5.506 1.00 2.29 H new ATOM 0 HZ2 LYS A 82 -10.940 -16.095 -6.906 1.00 2.29 H new ATOM 0 HZ3 LYS A 82 -10.190 -16.788 -5.549 1.00 2.29 H new ATOM 1283 N GLY A 83 -4.115 -11.707 -4.101 1.00 0.41 N ATOM 1284 CA GLY A 83 -2.652 -11.958 -4.208 1.00 0.41 C ATOM 1285 C GLY A 83 -2.180 -11.705 -5.640 1.00 0.40 C ATOM 1286 O GLY A 83 -1.125 -12.160 -6.037 1.00 0.68 O ATOM 0 H GLY A 83 -4.382 -10.736 -3.940 1.00 0.41 H new ATOM 0 HA2 GLY A 83 -2.112 -11.309 -3.519 1.00 0.41 H new ATOM 0 HA3 GLY A 83 -2.429 -12.985 -3.919 1.00 0.41 H new ATOM 1290 N GLN A 84 -2.979 -10.980 -6.384 1.00 0.33 N ATOM 1291 CA GLN A 84 -2.608 -10.676 -7.801 1.00 0.34 C ATOM 1292 C GLN A 84 -2.685 -9.169 -8.051 1.00 0.29 C ATOM 1293 O GLN A 84 -3.644 -8.522 -7.682 1.00 0.29 O ATOM 1294 CB GLN A 84 -3.582 -11.394 -8.749 1.00 0.43 C ATOM 1295 CG GLN A 84 -2.937 -12.673 -9.305 1.00 1.21 C ATOM 1296 CD GLN A 84 -3.832 -13.249 -10.406 1.00 1.44 C ATOM 1297 OE1 GLN A 84 -3.390 -13.502 -11.507 1.00 1.79 O ATOM 1298 NE2 GLN A 84 -5.092 -13.469 -10.151 1.00 2.02 N ATOM 0 H GLN A 84 -3.868 -10.587 -6.073 1.00 0.33 H new ATOM 0 HA GLN A 84 -1.590 -11.020 -7.983 1.00 0.34 H new ATOM 0 HB2 GLN A 84 -4.501 -11.643 -8.218 1.00 0.43 H new ATOM 0 HB3 GLN A 84 -3.858 -10.731 -9.569 1.00 0.43 H new ATOM 0 HG2 GLN A 84 -1.947 -12.452 -9.703 1.00 1.21 H new ATOM 0 HG3 GLN A 84 -2.804 -13.404 -8.508 1.00 1.21 H new ATOM 0 HE21 GLN A 84 -5.470 -13.258 -9.227 1.00 2.02 H new ATOM 0 HE22 GLN A 84 -5.700 -13.852 -10.875 1.00 2.02 H new ATOM 1307 N LYS A 85 -1.670 -8.647 -8.676 1.00 0.31 N ATOM 1308 CA LYS A 85 -1.659 -7.191 -8.967 1.00 0.27 C ATOM 1309 C LYS A 85 -2.720 -6.865 -10.024 1.00 0.27 C ATOM 1310 O LYS A 85 -2.875 -7.590 -10.988 1.00 0.36 O ATOM 1311 CB LYS A 85 -0.272 -6.816 -9.493 1.00 0.31 C ATOM 1312 CG LYS A 85 -0.111 -5.283 -9.510 1.00 0.31 C ATOM 1313 CD LYS A 85 1.383 -4.911 -9.544 1.00 0.41 C ATOM 1314 CE LYS A 85 1.950 -5.177 -10.944 1.00 0.59 C ATOM 1315 NZ LYS A 85 3.408 -4.876 -10.981 1.00 1.34 N ATOM 0 H LYS A 85 -0.851 -9.164 -8.997 1.00 0.31 H new ATOM 0 HA LYS A 85 -1.883 -6.626 -8.062 1.00 0.27 H new ATOM 0 HB2 LYS A 85 0.498 -7.264 -8.864 1.00 0.31 H new ATOM 0 HB3 LYS A 85 -0.135 -7.215 -10.498 1.00 0.31 H new ATOM 0 HG2 LYS A 85 -0.618 -4.865 -10.380 1.00 0.31 H new ATOM 0 HG3 LYS A 85 -0.582 -4.850 -8.628 1.00 0.31 H new ATOM 0 HD2 LYS A 85 1.512 -3.861 -9.282 1.00 0.41 H new ATOM 0 HD3 LYS A 85 1.930 -5.494 -8.803 1.00 0.41 H new ATOM 0 HE2 LYS A 85 1.780 -6.218 -11.220 1.00 0.59 H new ATOM 0 HE3 LYS A 85 1.427 -4.563 -11.677 1.00 0.59 H new ATOM 0 HZ1 LYS A 85 3.817 -5.248 -11.862 1.00 1.34 H new ATOM 0 HZ2 LYS A 85 3.551 -3.847 -10.941 1.00 1.34 H new ATOM 0 HZ3 LYS A 85 3.875 -5.323 -10.166 1.00 1.34 H new ATOM 1329 N VAL A 86 -3.427 -5.783 -9.817 1.00 0.24 N ATOM 1330 CA VAL A 86 -4.489 -5.394 -10.799 1.00 0.24 C ATOM 1331 C VAL A 86 -4.381 -3.904 -11.150 1.00 0.23 C ATOM 1332 O VAL A 86 -4.817 -3.483 -12.203 1.00 0.27 O ATOM 1333 CB VAL A 86 -5.863 -5.684 -10.189 1.00 0.26 C ATOM 1334 CG1 VAL A 86 -6.190 -7.168 -10.376 1.00 0.30 C ATOM 1335 CG2 VAL A 86 -5.837 -5.362 -8.693 1.00 0.26 C ATOM 0 H VAL A 86 -3.318 -5.157 -9.019 1.00 0.24 H new ATOM 0 HA VAL A 86 -4.358 -5.972 -11.714 1.00 0.24 H new ATOM 0 HB VAL A 86 -6.618 -5.071 -10.681 1.00 0.26 H new ATOM 0 HG11 VAL A 86 -7.167 -7.382 -9.944 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.203 -7.406 -11.440 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.432 -7.773 -9.878 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -6.815 -5.569 -8.259 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.085 -5.978 -8.201 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -5.592 -4.309 -8.552 1.00 0.26 H new ATOM 1345 N GLY A 87 -3.804 -3.136 -10.264 1.00 0.20 N ATOM 1346 CA GLY A 87 -3.662 -1.678 -10.548 1.00 0.20 C ATOM 1347 C GLY A 87 -2.422 -1.114 -9.849 1.00 0.19 C ATOM 1348 O GLY A 87 -2.000 -1.617 -8.827 1.00 0.23 O ATOM 0 H GLY A 87 -3.430 -3.449 -9.368 1.00 0.20 H new ATOM 0 HA2 GLY A 87 -3.586 -1.517 -11.623 1.00 0.20 H new ATOM 0 HA3 GLY A 87 -4.551 -1.147 -10.208 1.00 0.20 H new ATOM 1352 N GLU A 88 -1.855 -0.082 -10.418 1.00 0.20 N ATOM 1353 CA GLU A 88 -0.650 0.521 -9.779 1.00 0.21 C ATOM 1354 C GLU A 88 -0.359 1.908 -10.362 1.00 0.21 C ATOM 1355 O GLU A 88 -0.215 2.073 -11.556 1.00 0.24 O ATOM 1356 CB GLU A 88 0.558 -0.410 -9.990 1.00 0.26 C ATOM 1357 CG GLU A 88 1.211 -0.136 -11.353 1.00 1.11 C ATOM 1358 CD GLU A 88 2.190 -1.265 -11.676 1.00 1.51 C ATOM 1359 OE1 GLU A 88 2.666 -1.860 -10.723 1.00 1.94 O ATOM 1360 OE2 GLU A 88 2.409 -1.468 -12.859 1.00 1.97 O ATOM 0 H GLU A 88 -2.167 0.362 -11.281 1.00 0.20 H new ATOM 0 HA GLU A 88 -0.838 0.638 -8.712 1.00 0.21 H new ATOM 0 HB2 GLU A 88 1.286 -0.258 -9.193 1.00 0.26 H new ATOM 0 HB3 GLU A 88 0.238 -1.450 -9.935 1.00 0.26 H new ATOM 0 HG2 GLU A 88 0.448 -0.067 -12.128 1.00 1.11 H new ATOM 0 HG3 GLU A 88 1.733 0.820 -11.334 1.00 1.11 H new ATOM 1367 N PHE A 89 -0.291 2.877 -9.496 1.00 0.20 N ATOM 1368 CA PHE A 89 0.006 4.257 -9.950 1.00 0.22 C ATOM 1369 C PHE A 89 0.823 4.986 -8.878 1.00 0.20 C ATOM 1370 O PHE A 89 0.517 4.905 -7.703 1.00 0.20 O ATOM 1371 CB PHE A 89 -1.313 4.972 -10.196 1.00 0.24 C ATOM 1372 CG PHE A 89 -1.812 5.621 -8.904 1.00 0.23 C ATOM 1373 CD1 PHE A 89 -1.321 6.848 -8.491 1.00 0.23 C ATOM 1374 CD2 PHE A 89 -2.767 4.986 -8.130 1.00 0.24 C ATOM 1375 CE1 PHE A 89 -1.780 7.427 -7.325 1.00 0.25 C ATOM 1376 CE2 PHE A 89 -3.223 5.567 -6.966 1.00 0.27 C ATOM 1377 CZ PHE A 89 -2.731 6.786 -6.564 1.00 0.26 C ATOM 0 H PHE A 89 -0.429 2.771 -8.491 1.00 0.20 H new ATOM 0 HA PHE A 89 0.589 4.240 -10.871 1.00 0.22 H new ATOM 0 HB2 PHE A 89 -1.185 5.732 -10.967 1.00 0.24 H new ATOM 0 HB3 PHE A 89 -2.055 4.264 -10.566 1.00 0.24 H new ATOM 0 HD1 PHE A 89 -0.575 7.355 -9.085 1.00 0.23 H new ATOM 0 HD2 PHE A 89 -3.158 4.028 -8.440 1.00 0.24 H new ATOM 0 HE1 PHE A 89 -1.392 8.384 -7.009 1.00 0.25 H new ATOM 0 HE2 PHE A 89 -3.968 5.063 -6.369 1.00 0.27 H new ATOM 0 HZ PHE A 89 -3.090 7.240 -5.652 1.00 0.26 H new ATOM 1387 N SER A 90 1.849 5.677 -9.308 1.00 0.21 N ATOM 1388 CA SER A 90 2.711 6.406 -8.328 1.00 0.22 C ATOM 1389 C SER A 90 2.476 7.913 -8.411 1.00 0.21 C ATOM 1390 O SER A 90 1.812 8.392 -9.309 1.00 0.25 O ATOM 1391 CB SER A 90 4.177 6.103 -8.633 1.00 0.28 C ATOM 1392 OG SER A 90 4.481 6.937 -9.741 1.00 0.33 O ATOM 0 H SER A 90 2.125 5.768 -10.286 1.00 0.21 H new ATOM 0 HA SER A 90 2.457 6.073 -7.321 1.00 0.22 H new ATOM 0 HB2 SER A 90 4.816 6.327 -7.779 1.00 0.28 H new ATOM 0 HB3 SER A 90 4.324 5.050 -8.874 1.00 0.28 H new ATOM 0 HG SER A 90 5.416 6.804 -10.003 1.00 0.33 H new ATOM 1398 N GLY A 91 3.033 8.624 -7.460 1.00 0.23 N ATOM 1399 CA GLY A 91 2.866 10.107 -7.439 1.00 0.28 C ATOM 1400 C GLY A 91 2.242 10.545 -6.114 1.00 0.33 C ATOM 1401 O GLY A 91 1.375 9.878 -5.585 1.00 0.40 O ATOM 0 H GLY A 91 3.595 8.240 -6.700 1.00 0.23 H new ATOM 0 HA2 GLY A 91 3.833 10.592 -7.573 1.00 0.28 H new ATOM 0 HA3 GLY A 91 2.234 10.422 -8.269 1.00 0.28 H new ATOM 1405 N ALA A 92 2.698 11.655 -5.602 1.00 0.35 N ATOM 1406 CA ALA A 92 2.137 12.149 -4.310 1.00 0.42 C ATOM 1407 C ALA A 92 0.716 12.685 -4.520 1.00 0.41 C ATOM 1408 O ALA A 92 0.485 13.875 -4.442 1.00 0.76 O ATOM 1409 CB ALA A 92 3.029 13.267 -3.773 1.00 0.51 C ATOM 0 H ALA A 92 3.427 12.237 -6.016 1.00 0.35 H new ATOM 0 HA ALA A 92 2.101 11.326 -3.596 1.00 0.42 H new ATOM 0 HB1 ALA A 92 2.625 13.633 -2.829 1.00 0.51 H new ATOM 0 HB2 ALA A 92 4.036 12.883 -3.612 1.00 0.51 H new ATOM 0 HB3 ALA A 92 3.063 14.084 -4.494 1.00 0.51 H new ATOM 1415 N ASN A 93 -0.202 11.786 -4.782 1.00 0.45 N ATOM 1416 CA ASN A 93 -1.621 12.209 -5.001 1.00 0.45 C ATOM 1417 C ASN A 93 -2.548 11.447 -4.051 1.00 0.49 C ATOM 1418 O ASN A 93 -2.445 10.243 -3.914 1.00 0.65 O ATOM 1419 CB ASN A 93 -2.014 11.909 -6.447 1.00 0.47 C ATOM 1420 CG ASN A 93 -3.152 12.844 -6.865 1.00 0.53 C ATOM 1421 OD1 ASN A 93 -3.949 13.320 -5.948 1.00 0.64 O flip ATOM 1422 ND2 ASN A 93 -3.324 13.150 -8.028 1.00 0.59 N flip ATOM 0 H ASN A 93 -0.031 10.783 -4.853 1.00 0.45 H new ATOM 0 HA ASN A 93 -1.714 13.277 -4.805 1.00 0.45 H new ATOM 0 HB2 ASN A 93 -1.156 12.045 -7.105 1.00 0.47 H new ATOM 0 HB3 ASN A 93 -2.328 10.870 -6.543 1.00 0.47 H new ATOM 0 HD21 ASN A 93 -2.704 12.781 -8.749 1.00 0.59 H new ATOM 0 HD22 ASN A 93 -4.088 13.776 -8.283 1.00 0.59 H new ATOM 1429 N LYS A 94 -3.437 12.171 -3.419 1.00 0.53 N ATOM 1430 CA LYS A 94 -4.386 11.517 -2.466 1.00 0.62 C ATOM 1431 C LYS A 94 -5.781 11.449 -3.083 1.00 0.54 C ATOM 1432 O LYS A 94 -6.376 10.393 -3.169 1.00 0.49 O ATOM 1433 CB LYS A 94 -4.461 12.323 -1.161 1.00 0.85 C ATOM 1434 CG LYS A 94 -3.056 12.807 -0.750 1.00 0.65 C ATOM 1435 CD LYS A 94 -2.600 13.983 -1.659 1.00 1.06 C ATOM 1436 CE LYS A 94 -2.128 15.181 -0.811 1.00 1.32 C ATOM 1437 NZ LYS A 94 -3.276 16.081 -0.502 1.00 1.94 N ATOM 0 H LYS A 94 -3.547 13.180 -3.520 1.00 0.53 H new ATOM 0 HA LYS A 94 -4.026 10.510 -2.256 1.00 0.62 H new ATOM 0 HB2 LYS A 94 -5.124 13.178 -1.291 1.00 0.85 H new ATOM 0 HB3 LYS A 94 -4.887 11.707 -0.369 1.00 0.85 H new ATOM 0 HG2 LYS A 94 -3.065 13.127 0.292 1.00 0.65 H new ATOM 0 HG3 LYS A 94 -2.345 11.984 -0.825 1.00 0.65 H new ATOM 0 HD2 LYS A 94 -1.791 13.652 -2.311 1.00 1.06 H new ATOM 0 HD3 LYS A 94 -3.423 14.290 -2.304 1.00 1.06 H new ATOM 0 HE2 LYS A 94 -1.677 14.824 0.115 1.00 1.32 H new ATOM 0 HE3 LYS A 94 -1.358 15.734 -1.348 1.00 1.32 H new ATOM 0 HZ1 LYS A 94 -2.944 16.884 0.070 1.00 1.94 H new ATOM 0 HZ2 LYS A 94 -3.688 16.435 -1.389 1.00 1.94 H new ATOM 0 HZ3 LYS A 94 -3.998 15.553 0.029 1.00 1.94 H new ATOM 1451 N GLU A 95 -6.272 12.582 -3.500 1.00 0.60 N ATOM 1452 CA GLU A 95 -7.626 12.616 -4.113 1.00 0.61 C ATOM 1453 C GLU A 95 -7.767 11.490 -5.134 1.00 0.48 C ATOM 1454 O GLU A 95 -8.861 11.118 -5.507 1.00 0.54 O ATOM 1455 CB GLU A 95 -7.821 13.959 -4.818 1.00 0.70 C ATOM 1456 CG GLU A 95 -8.455 14.962 -3.850 1.00 1.19 C ATOM 1457 CD GLU A 95 -8.685 16.287 -4.580 1.00 1.66 C ATOM 1458 OE1 GLU A 95 -8.271 16.351 -5.726 1.00 2.32 O ATOM 1459 OE2 GLU A 95 -9.261 17.158 -3.951 1.00 2.09 O ATOM 0 H GLU A 95 -5.796 13.482 -3.443 1.00 0.60 H new ATOM 0 HA GLU A 95 -8.377 12.488 -3.333 1.00 0.61 H new ATOM 0 HB2 GLU A 95 -6.862 14.337 -5.173 1.00 0.70 H new ATOM 0 HB3 GLU A 95 -8.457 13.832 -5.694 1.00 0.70 H new ATOM 0 HG2 GLU A 95 -9.400 14.573 -3.471 1.00 1.19 H new ATOM 0 HG3 GLU A 95 -7.805 15.115 -2.989 1.00 1.19 H new ATOM 1466 N LYS A 96 -6.654 10.970 -5.562 1.00 0.38 N ATOM 1467 CA LYS A 96 -6.702 9.874 -6.569 1.00 0.34 C ATOM 1468 C LYS A 96 -6.979 8.528 -5.887 1.00 0.28 C ATOM 1469 O LYS A 96 -7.778 7.752 -6.359 1.00 0.29 O ATOM 1470 CB LYS A 96 -5.362 9.814 -7.308 1.00 0.37 C ATOM 1471 CG LYS A 96 -5.447 8.776 -8.439 1.00 0.47 C ATOM 1472 CD LYS A 96 -4.400 9.106 -9.522 1.00 0.82 C ATOM 1473 CE LYS A 96 -4.935 10.196 -10.473 1.00 1.04 C ATOM 1474 NZ LYS A 96 -4.103 10.257 -11.707 1.00 1.69 N ATOM 0 H LYS A 96 -5.720 11.252 -5.263 1.00 0.38 H new ATOM 0 HA LYS A 96 -7.507 10.074 -7.276 1.00 0.34 H new ATOM 0 HB2 LYS A 96 -5.116 10.794 -7.717 1.00 0.37 H new ATOM 0 HB3 LYS A 96 -4.564 9.548 -6.615 1.00 0.37 H new ATOM 0 HG2 LYS A 96 -5.272 7.776 -8.043 1.00 0.47 H new ATOM 0 HG3 LYS A 96 -6.447 8.777 -8.873 1.00 0.47 H new ATOM 0 HD2 LYS A 96 -3.477 9.445 -9.053 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -4.158 8.207 -10.089 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -5.971 9.983 -10.735 1.00 1.04 H new ATOM 0 HE3 LYS A 96 -4.925 11.163 -9.971 1.00 1.04 H new ATOM 0 HZ1 LYS A 96 -4.473 10.995 -12.339 1.00 1.69 H new ATOM 0 HZ2 LYS A 96 -3.120 10.481 -11.452 1.00 1.69 H new ATOM 0 HZ3 LYS A 96 -4.134 9.338 -12.192 1.00 1.69 H new ATOM 1488 N LEU A 97 -6.315 8.281 -4.790 1.00 0.26 N ATOM 1489 CA LEU A 97 -6.538 6.982 -4.082 1.00 0.24 C ATOM 1490 C LEU A 97 -8.037 6.695 -3.961 1.00 0.24 C ATOM 1491 O LEU A 97 -8.493 5.625 -4.296 1.00 0.28 O ATOM 1492 CB LEU A 97 -5.938 7.051 -2.675 1.00 0.29 C ATOM 1493 CG LEU A 97 -4.405 6.898 -2.730 1.00 0.36 C ATOM 1494 CD1 LEU A 97 -3.837 7.348 -1.375 1.00 0.43 C ATOM 1495 CD2 LEU A 97 -4.018 5.419 -2.990 1.00 0.49 C ATOM 0 H LEU A 97 -5.638 8.909 -4.357 1.00 0.26 H new ATOM 0 HA LEU A 97 -6.059 6.189 -4.656 1.00 0.24 H new ATOM 0 HB2 LEU A 97 -6.197 8.002 -2.210 1.00 0.29 H new ATOM 0 HB3 LEU A 97 -6.365 6.265 -2.053 1.00 0.29 H new ATOM 0 HG LEU A 97 -4.000 7.505 -3.540 1.00 0.36 H new ATOM 0 HD11 LEU A 97 -2.751 7.250 -1.385 1.00 0.43 H new ATOM 0 HD12 LEU A 97 -4.106 8.389 -1.195 1.00 0.43 H new ATOM 0 HD13 LEU A 97 -4.250 6.724 -0.582 1.00 0.43 H new ATOM 0 HD21 LEU A 97 -2.932 5.328 -3.026 1.00 0.49 H new ATOM 0 HD22 LEU A 97 -4.408 4.794 -2.187 1.00 0.49 H new ATOM 0 HD23 LEU A 97 -4.441 5.094 -3.940 1.00 0.49 H new ATOM 1507 N GLU A 98 -8.767 7.659 -3.477 1.00 0.28 N ATOM 1508 CA GLU A 98 -10.238 7.459 -3.316 1.00 0.30 C ATOM 1509 C GLU A 98 -10.855 6.924 -4.607 1.00 0.29 C ATOM 1510 O GLU A 98 -11.226 5.771 -4.694 1.00 0.30 O ATOM 1511 CB GLU A 98 -10.887 8.794 -2.959 1.00 0.35 C ATOM 1512 CG GLU A 98 -12.394 8.591 -2.795 1.00 0.51 C ATOM 1513 CD GLU A 98 -12.975 9.748 -1.980 1.00 1.11 C ATOM 1514 OE1 GLU A 98 -12.712 10.873 -2.372 1.00 1.70 O ATOM 1515 OE2 GLU A 98 -13.650 9.441 -1.011 1.00 1.91 O ATOM 0 H GLU A 98 -8.415 8.571 -3.187 1.00 0.28 H new ATOM 0 HA GLU A 98 -10.410 6.732 -2.522 1.00 0.30 H new ATOM 0 HB2 GLU A 98 -10.458 9.186 -2.037 1.00 0.35 H new ATOM 0 HB3 GLU A 98 -10.689 9.529 -3.740 1.00 0.35 H new ATOM 0 HG2 GLU A 98 -12.874 8.542 -3.772 1.00 0.51 H new ATOM 0 HG3 GLU A 98 -12.592 7.643 -2.295 1.00 0.51 H new ATOM 1522 N ALA A 99 -10.949 7.777 -5.576 1.00 0.29 N ATOM 1523 CA ALA A 99 -11.549 7.352 -6.878 1.00 0.30 C ATOM 1524 C ALA A 99 -10.917 6.040 -7.354 1.00 0.27 C ATOM 1525 O ALA A 99 -11.603 5.149 -7.816 1.00 0.31 O ATOM 1526 CB ALA A 99 -11.306 8.443 -7.919 1.00 0.33 C ATOM 0 H ALA A 99 -10.641 8.748 -5.533 1.00 0.29 H new ATOM 0 HA ALA A 99 -12.619 7.196 -6.744 1.00 0.30 H new ATOM 0 HB1 ALA A 99 -11.741 8.140 -8.872 1.00 0.33 H new ATOM 0 HB2 ALA A 99 -11.770 9.372 -7.587 1.00 0.33 H new ATOM 0 HB3 ALA A 99 -10.234 8.596 -8.042 1.00 0.33 H new ATOM 1532 N THR A 100 -9.622 5.949 -7.232 1.00 0.26 N ATOM 1533 CA THR A 100 -8.932 4.703 -7.674 1.00 0.24 C ATOM 1534 C THR A 100 -9.530 3.493 -6.955 1.00 0.22 C ATOM 1535 O THR A 100 -9.822 2.493 -7.565 1.00 0.22 O ATOM 1536 CB THR A 100 -7.442 4.809 -7.356 1.00 0.24 C ATOM 1537 OG1 THR A 100 -7.053 6.081 -7.862 1.00 0.30 O ATOM 1538 CG2 THR A 100 -6.628 3.794 -8.153 1.00 0.26 C ATOM 0 H THR A 100 -9.016 6.675 -6.850 1.00 0.26 H new ATOM 0 HA THR A 100 -9.066 4.578 -8.748 1.00 0.24 H new ATOM 0 HB THR A 100 -7.276 4.653 -6.290 1.00 0.24 H new ATOM 0 HG1 THR A 100 -7.351 6.783 -7.246 1.00 0.30 H new ATOM 0 HG21 THR A 100 -5.572 3.897 -7.902 1.00 0.26 H new ATOM 0 HG22 THR A 100 -6.963 2.786 -7.908 1.00 0.26 H new ATOM 0 HG23 THR A 100 -6.767 3.973 -9.219 1.00 0.26 H new ATOM 1546 N ILE A 101 -9.693 3.603 -5.669 1.00 0.22 N ATOM 1547 CA ILE A 101 -10.295 2.465 -4.927 1.00 0.23 C ATOM 1548 C ILE A 101 -11.679 2.209 -5.487 1.00 0.23 C ATOM 1549 O ILE A 101 -12.111 1.082 -5.614 1.00 0.25 O ATOM 1550 CB ILE A 101 -10.391 2.815 -3.441 1.00 0.27 C ATOM 1551 CG1 ILE A 101 -9.057 2.495 -2.759 1.00 0.30 C ATOM 1552 CG2 ILE A 101 -11.503 1.987 -2.796 1.00 0.30 C ATOM 1553 CD1 ILE A 101 -8.834 3.474 -1.603 1.00 0.92 C ATOM 0 H ILE A 101 -9.441 4.416 -5.107 1.00 0.22 H new ATOM 0 HA ILE A 101 -9.678 1.573 -5.038 1.00 0.23 H new ATOM 0 HB ILE A 101 -10.614 3.876 -3.328 1.00 0.27 H new ATOM 0 HG12 ILE A 101 -9.062 1.470 -2.388 1.00 0.30 H new ATOM 0 HG13 ILE A 101 -8.241 2.570 -3.477 1.00 0.30 H new ATOM 0 HG21 ILE A 101 -11.573 2.235 -1.737 1.00 0.30 H new ATOM 0 HG22 ILE A 101 -12.452 2.209 -3.284 1.00 0.30 H new ATOM 0 HG23 ILE A 101 -11.278 0.926 -2.906 1.00 0.30 H new ATOM 0 HD11 ILE A 101 -7.886 3.250 -1.114 1.00 0.92 H new ATOM 0 HD12 ILE A 101 -8.812 4.493 -1.989 1.00 0.92 H new ATOM 0 HD13 ILE A 101 -9.646 3.376 -0.882 1.00 0.92 H new ATOM 1565 N ASN A 102 -12.341 3.273 -5.813 1.00 0.25 N ATOM 1566 CA ASN A 102 -13.695 3.141 -6.398 1.00 0.28 C ATOM 1567 C ASN A 102 -13.585 2.413 -7.732 1.00 0.29 C ATOM 1568 O ASN A 102 -14.569 1.971 -8.291 1.00 0.33 O ATOM 1569 CB ASN A 102 -14.279 4.533 -6.618 1.00 0.32 C ATOM 1570 CG ASN A 102 -15.804 4.450 -6.618 1.00 0.71 C ATOM 1571 OD1 ASN A 102 -16.380 3.388 -6.732 1.00 0.76 O ATOM 1572 ND2 ASN A 102 -16.494 5.548 -6.492 1.00 1.46 N ATOM 0 H ASN A 102 -12.004 4.229 -5.700 1.00 0.25 H new ATOM 0 HA ASN A 102 -14.344 2.578 -5.727 1.00 0.28 H new ATOM 0 HB2 ASN A 102 -13.941 5.209 -5.833 1.00 0.32 H new ATOM 0 HB3 ASN A 102 -13.926 4.942 -7.565 1.00 0.32 H new ATOM 0 HD21 ASN A 102 -17.513 5.512 -6.489 1.00 1.46 H new ATOM 0 HD22 ASN A 102 -16.015 6.443 -6.396 1.00 1.46 H new ATOM 1579 N GLU A 103 -12.374 2.305 -8.213 1.00 0.27 N ATOM 1580 CA GLU A 103 -12.160 1.611 -9.509 1.00 0.31 C ATOM 1581 C GLU A 103 -12.356 0.102 -9.339 1.00 0.32 C ATOM 1582 O GLU A 103 -13.159 -0.496 -10.027 1.00 0.38 O ATOM 1583 CB GLU A 103 -10.728 1.884 -10.003 1.00 0.32 C ATOM 1584 CG GLU A 103 -10.628 1.629 -11.519 1.00 0.41 C ATOM 1585 CD GLU A 103 -10.358 2.952 -12.238 1.00 1.34 C ATOM 1586 OE1 GLU A 103 -11.025 3.908 -11.880 1.00 2.11 O ATOM 1587 OE2 GLU A 103 -9.495 2.932 -13.101 1.00 1.90 O ATOM 0 H GLU A 103 -11.532 2.666 -7.765 1.00 0.27 H new ATOM 0 HA GLU A 103 -12.882 1.985 -10.235 1.00 0.31 H new ATOM 0 HB2 GLU A 103 -10.450 2.914 -9.781 1.00 0.32 H new ATOM 0 HB3 GLU A 103 -10.024 1.243 -9.472 1.00 0.32 H new ATOM 0 HG2 GLU A 103 -9.828 0.919 -11.728 1.00 0.41 H new ATOM 0 HG3 GLU A 103 -11.553 1.184 -11.886 1.00 0.41 H new ATOM 1594 N LEU A 104 -11.615 -0.487 -8.420 1.00 0.29 N ATOM 1595 CA LEU A 104 -11.743 -1.969 -8.221 1.00 0.33 C ATOM 1596 C LEU A 104 -12.645 -2.299 -7.009 1.00 0.38 C ATOM 1597 O LEU A 104 -12.768 -3.447 -6.633 1.00 0.48 O ATOM 1598 CB LEU A 104 -10.347 -2.596 -8.020 1.00 0.31 C ATOM 1599 CG LEU A 104 -9.295 -1.853 -8.868 1.00 0.32 C ATOM 1600 CD1 LEU A 104 -7.933 -2.540 -8.693 1.00 0.34 C ATOM 1601 CD2 LEU A 104 -9.688 -1.910 -10.353 1.00 0.40 C ATOM 0 H LEU A 104 -10.943 -0.016 -7.814 1.00 0.29 H new ATOM 0 HA LEU A 104 -12.207 -2.389 -9.113 1.00 0.33 H new ATOM 0 HB2 LEU A 104 -10.070 -2.553 -6.967 1.00 0.31 H new ATOM 0 HB3 LEU A 104 -10.371 -3.649 -8.300 1.00 0.31 H new ATOM 0 HG LEU A 104 -9.240 -0.814 -8.543 1.00 0.32 H new ATOM 0 HD11 LEU A 104 -7.184 -2.020 -9.290 1.00 0.34 H new ATOM 0 HD12 LEU A 104 -7.644 -2.512 -7.643 1.00 0.34 H new ATOM 0 HD13 LEU A 104 -8.003 -3.577 -9.022 1.00 0.34 H new ATOM 0 HD21 LEU A 104 -8.941 -1.384 -10.947 1.00 0.40 H new ATOM 0 HD22 LEU A 104 -9.741 -2.950 -10.676 1.00 0.40 H new ATOM 0 HD23 LEU A 104 -10.660 -1.437 -10.490 1.00 0.40 H new ATOM 1613 N VAL A 105 -13.259 -1.292 -6.424 1.00 0.34 N ATOM 1614 CA VAL A 105 -14.164 -1.568 -5.251 1.00 0.41 C ATOM 1615 C VAL A 105 -15.171 -2.664 -5.611 1.00 0.53 C ATOM 1616 O VAL A 105 -15.532 -2.705 -6.776 1.00 1.06 O ATOM 1617 CB VAL A 105 -14.916 -0.297 -4.877 1.00 0.37 C ATOM 1618 CG1 VAL A 105 -15.898 0.058 -5.993 1.00 0.43 C ATOM 1619 CG2 VAL A 105 -15.691 -0.537 -3.579 1.00 0.44 C ATOM 1620 OXT VAL A 105 -15.519 -3.400 -4.702 1.00 1.35 O ATOM 0 H VAL A 105 -13.178 -0.313 -6.698 1.00 0.34 H new ATOM 0 HA VAL A 105 -13.559 -1.900 -4.407 1.00 0.41 H new ATOM 0 HB VAL A 105 -14.209 0.521 -4.739 1.00 0.37 H new ATOM 0 HG11 VAL A 105 -16.437 0.967 -5.727 1.00 0.43 H new ATOM 0 HG12 VAL A 105 -15.351 0.219 -6.922 1.00 0.43 H new ATOM 0 HG13 VAL A 105 -16.607 -0.759 -6.127 1.00 0.43 H new ATOM 0 HG21 VAL A 105 -16.232 0.369 -3.305 1.00 0.44 H new ATOM 0 HG22 VAL A 105 -16.399 -1.353 -3.724 1.00 0.44 H new ATOM 0 HG23 VAL A 105 -14.994 -0.798 -2.782 1.00 0.44 H new TER 1630 VAL A 105 END